#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 1.31 0.33 1.20 3.01 -1.26 -4.94 119.74 119.39 1c89 s LYS 2 Ca 0.00 0.22 -0.26 0.00 -1.01 0.00 0.00 55.97 54.92 1c89 s LYS 2 Cb 0.00 -1.86 -0.10 0.00 -1.01 0.00 0.00 37.83 34.86 1c89 s LYS 2 CO 0.00 -2.07 0.99 0.00 0.51 0.00 0.00 175.35 174.78 1c89 s ALA 3 N -3.37 3.20 0.37 5.17 0.00 -1.26 -4.62 121.76 121.26 1c89 s ALA 3 Ca 0.64 0.61 0.08 0.00 0.00 0.00 0.00 51.96 53.29 1c89 s ALA 3 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1c89 s ALA 3 CO 0.52 0.04 0.31 0.45 0.00 0.00 0.00 175.76 177.08 1c89 s SER 4 N -1.51 5.12 -1.07 0.00 0.15 -0.49 -4.22 113.70 111.68 1c89 s SER 4 Ca 0.51 -0.63 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1c89 s SER 4 Cb -0.21 -0.78 0.10 0.00 -1.71 0.00 0.00 66.02 63.42 1c89 s SER 4 CO 0.27 -0.47 1.40 -0.69 1.20 0.00 0.00 173.24 174.94 1c89 s VAL 5 N -2.39 4.39 -0.12 4.45 1.01 -0.81 -2.59 120.40 124.35 1c89 s VAL 5 Ca 0.44 -1.53 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1c89 s VAL 5 Cb -0.04 -4.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1c89 s VAL 5 CO 0.27 -1.77 0.15 -0.69 0.00 0.00 0.00 175.10 173.06 1c89 s VAL 6 N 3.57 5.49 0.27 2.92 1.01 -0.24 -1.15 120.40 132.27 1c89 s VAL 6 Ca 0.43 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1c89 s VAL 6 Cb -0.01 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1c89 s VAL 6 CO -0.05 0.61 1.23 0.00 0.00 0.00 0.00 175.10 176.88 1c89 s ALA 7 N -0.93 3.47 -0.16 5.51 0.00 -0.34 0.20 121.76 129.51 1c89 s ALA 7 Ca 0.15 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1c89 s ALA 7 Cb -0.12 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.33 1c89 s ALA 7 CO 0.04 -0.43 0.62 -0.97 0.00 0.00 0.00 175.76 175.02 1c89 h ASN 8 N 4.18 0.02 -5.13 0.00 -0.73 0.36 0.18 115.58 114.46 1c89 h ASN 8 Ca -0.47 -0.86 -0.36 0.00 1.87 0.00 0.00 56.30 56.48 1c89 h ASN 8 Cb 1.22 -0.01 0.06 0.00 0.27 0.00 0.00 38.32 39.86 1c89 h ASN 8 CO 0.70 1.16 0.08 0.00 -0.37 0.00 0.00 177.43 178.99 1c89 n GLN 9 N -4.54 0.09 -3.15 6.67 10.64 -1.26 -3.61 117.38 122.23 1c89 n GLN 9 Ca -0.16 -2.15 -0.40 0.00 -1.83 0.00 0.00 57.00 52.45 1c89 n GLN 9 Cb 0.55 -0.50 -0.06 0.00 -0.86 0.00 0.00 30.24 29.38 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 4.16 -0.13 2.61 0.20 -1.26 -3.92 118.68 120.35 1c89 s LEU 10 Ca 0.52 0.82 -0.01 0.00 0.69 0.00 0.00 54.13 56.15 1c89 s LEU 10 Cb -0.03 -2.85 -0.02 0.00 -0.43 0.00 0.00 46.19 42.85 1c89 s LEU 10 CO 0.34 -0.23 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 11 N 1.70 3.37 0.00 6.68 -1.09 -0.68 -4.88 121.20 126.31 1c89 s ILE 11 Ca 0.28 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1c89 s ILE 11 Cb -0.16 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1c89 s ILE 11 CO 0.11 0.52 0.00 -0.81 -1.23 0.00 0.00 174.94 173.53 1c89 n PRO 12 N 3.35 0.34 -2.04 2.79 -0.04 -1.26 0.25 135.00 138.39 1c89 n PRO 12 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.43 2.12 -0.72 0.52 1.09 -1.26 -4.36 121.20 118.16 1c89 s ILE 13 Ca 0.00 -0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1c89 s ILE 13 Cb 0.00 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 1c89 s ILE 13 CO 0.00 0.00 0.50 -0.46 -0.10 0.00 0.00 174.94 174.88 1c89 n ASN 14 N -3.14 -3.89 -3.74 3.58 0.23 -0.86 -4.87 115.26 102.57 1c89 n ASN 14 Ca 0.08 -0.85 -0.17 0.00 -0.53 0.00 0.00 54.58 53.12 1c89 n ASN 14 Cb 0.61 -1.31 -0.17 0.00 -2.08 0.00 0.00 39.78 36.83 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -2.93 -0.08 -0.97 5.53 2.01 -1.26 -4.86 115.64 113.08 1c89 s THR 15 Ca 0.05 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 1c89 s THR 15 Cb -0.03 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1c89 s THR 15 CO 0.75 0.12 1.62 0.00 -0.69 0.00 0.00 174.62 176.42 1c89 s ALA 16 N 1.44 2.34 0.79 7.40 0.00 -1.24 -3.86 121.76 128.64 1c89 s ALA 16 Ca -0.04 -1.98 -0.16 0.00 0.00 0.00 0.00 51.96 49.78 1c89 s ALA 16 Cb -0.13 -4.53 -0.09 0.00 0.00 0.00 0.00 23.12 18.37 1c89 s ALA 16 CO -0.03 -4.03 -0.07 1.28 0.00 0.00 0.00 175.76 172.90 1c89 n LEU 17 N 10.69 -2.59 -4.62 0.00 4.77 -1.09 -4.10 117.00 120.06 1c89 n LEU 17 Ca 0.35 0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 56.49 1c89 n LEU 17 Cb 0.50 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 1c89 n LEU 17 CO 0.64 -4.53 -0.29 0.42 -1.33 0.00 0.00 177.39 172.30 1c89 s THR 18 N -2.02 1.97 0.41 -5.08 -4.23 -1.26 0.26 115.64 105.69 1c89 s THR 18 Ca 0.54 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1c89 s THR 18 Cb -0.31 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 70.72 1c89 s THR 18 CO 0.69 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.66 1c89 h LEU 19 N 1.77 0.17 -0.19 4.79 3.38 -1.94 -2.44 115.31 120.84 1c89 h LEU 19 Ca -0.44 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1c89 h LEU 19 Cb 1.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1c89 h LEU 19 CO 0.81 0.31 -0.04 0.40 0.09 0.00 0.00 178.44 180.01 1c89 h ILE 20 N 0.17 1.28 0.00 1.22 5.03 -2.02 -2.49 117.51 120.71 1c89 h ILE 20 Ca 0.04 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1c89 h ILE 20 Cb 0.32 1.56 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 1c89 h ILE 20 CO 0.02 0.30 0.00 0.23 -0.68 0.00 0.00 178.15 178.02 1c89 n MET 21 N -4.66 0.34 -3.08 2.37 2.81 -1.07 -4.65 117.12 109.19 1c89 n MET 21 Ca -0.05 0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 1c89 n MET 21 Cb 0.26 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.46 3.90 -0.35 0.03 0.00 -0.94 0.10 119.30 119.58 1c89 s MET 22 Ca 0.21 0.35 -0.05 0.00 0.00 0.00 0.00 55.69 56.19 1c89 s MET 22 Cb 0.13 -3.73 0.06 0.00 0.00 0.00 0.00 34.83 31.28 1c89 s MET 22 CO 0.28 -0.61 0.10 0.15 0.00 0.00 0.00 175.02 174.95 1c89 s LYS 23 N 2.69 2.48 -1.34 4.11 -0.14 0.53 -4.83 119.74 123.23 1c89 s LYS 23 Ca 0.27 -1.32 -0.13 0.00 -1.36 0.00 0.00 55.97 53.42 1c89 s LYS 23 Cb -0.15 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 1c89 s LYS 23 CO 0.12 -0.74 2.37 0.00 -0.76 0.00 0.00 175.35 176.35 1c89 n ALA 24 N 4.74 5.68 -2.84 5.17 0.00 -1.25 -1.08 120.51 130.92 1c89 n ALA 24 Ca -0.11 -3.50 -0.29 0.00 0.00 0.00 0.00 53.44 49.53 1c89 n ALA 24 Cb 0.44 -3.46 -0.05 0.00 0.00 0.00 0.00 19.45 16.38 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 3.22 3.12 -0.69 0.00 2.12 -1.07 -4.53 118.70 120.87 1c89 s GLU 25 Ca 0.54 -0.63 -0.22 0.00 0.36 0.00 0.00 54.97 55.02 1c89 s GLU 25 Cb 0.15 -2.84 0.08 0.00 0.26 0.00 0.00 34.13 31.78 1c89 s GLU 25 CO -0.04 0.56 0.97 0.08 -0.54 0.00 0.00 175.26 176.29 1c89 s VAL 26 N -1.52 4.41 0.22 3.70 1.01 -1.26 -1.40 120.40 125.55 1c89 s VAL 26 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1c89 s VAL 26 Cb -0.12 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 1c89 s VAL 26 CO 0.25 -1.45 0.10 0.68 0.00 0.00 0.00 175.10 174.68 1c89 s VAL 27 N 3.80 0.31 0.14 2.92 -7.23 -1.26 -4.98 120.40 114.09 1c89 s VAL 27 Ca 0.23 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 1c89 s VAL 27 Cb -0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1c89 s VAL 27 CO 0.07 -0.08 0.03 0.28 -0.31 0.00 0.00 175.10 175.09 1c89 s THR 28 N -3.93 3.99 0.58 5.32 -1.32 -1.26 -3.69 115.64 115.33 1c89 s THR 28 Ca 0.36 -1.19 -0.15 0.00 -1.21 0.00 0.00 61.69 59.50 1c89 s THR 28 Cb 0.07 -2.98 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1c89 s THR 28 CO 0.11 -0.03 1.03 -2.16 -2.21 0.00 0.00 174.62 171.37 1c89 s PRO 29 N -2.74 3.50 -0.06 7.08 0.04 -1.26 -5.04 135.00 136.52 1c89 s PRO 29 Ca 0.28 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1c89 s PRO 29 Cb -0.10 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1c89 s PRO 29 CO 0.19 -0.65 1.37 0.00 0.04 0.00 0.00 177.00 177.95 1c89 s MET 30 N -4.20 4.27 0.00 4.56 0.23 -1.24 -4.94 119.30 117.97 1c89 s MET 30 Ca 0.61 1.87 0.00 0.00 -1.03 0.00 0.00 55.69 57.15 1c89 s MET 30 Cb -0.14 -3.68 0.00 0.00 -1.53 0.00 0.00 34.83 29.48 1c89 s MET 30 CO 0.37 -0.63 0.00 0.41 -2.03 0.00 0.00 175.02 173.15 1c89 n GLY 31 N 3.66 0.86 3.85 3.16 0.00 -1.26 -5.07 105.19 110.39 1c89 n GLY 31 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 3.57 5.06 0.93 -0.61 1.01 -0.76 -4.99 121.20 125.42 1c89 s ILE 32 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 60.65 61.21 1c89 s ILE 32 Cb 0.00 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.94 1c89 s ILE 32 CO 0.00 0.46 1.12 -2.16 0.00 0.00 0.00 174.94 174.36 1c89 s PRO 33 N -1.42 0.95 -0.16 2.79 0.04 -1.26 -1.92 135.00 134.02 1c89 s PRO 33 Ca 0.27 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.72 1c89 s PRO 33 Cb -0.15 -1.81 0.25 0.00 0.04 0.00 0.00 34.50 32.83 1c89 s PRO 33 CO 0.15 -2.35 1.31 0.00 0.04 0.00 0.00 177.00 176.15 1c89 n ALA 34 N -3.89 3.59 -0.05 8.56 0.00 -1.26 -4.34 120.51 123.13 1c89 n ALA 34 Ca 0.06 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 1c89 n ALA 34 Cb 0.58 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 0.43 0.26 -1.03 0.00 4.39 -1.95 -2.95 114.58 113.74 1c89 h GLU 35 Ca 0.22 -0.09 -0.41 0.00 0.34 0.00 0.00 59.36 59.42 1c89 h GLU 35 Cb 1.64 -0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 30.04 1c89 h GLU 35 CO 0.39 0.52 0.52 0.39 -1.16 0.00 0.00 179.01 179.68 1c89 n GLU 36 N -4.73 1.99 -0.34 2.33 -0.58 -1.26 -4.66 120.64 113.39 1c89 n GLU 36 Ca -0.06 -2.30 0.01 0.00 -0.42 0.00 0.00 57.16 54.39 1c89 n GLU 36 Cb 0.23 -1.90 0.07 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.79 0.05 0.00 -3.67 1.08 -1.81 2.26 117.51 116.21 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 2.20 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1c89 h ILE 37 CO 0.89 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.54 1c89 n PRO 38 N -5.52 0.27 -0.09 2.37 -0.04 -1.26 -1.54 135.00 129.19 1c89 n PRO 38 Ca 0.11 0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 1c89 n PRO 38 Cb 0.42 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1c89 n PRO 38 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c89 n ASN 39 N -1.23 1.61 0.07 3.54 2.85 0.73 -4.47 115.26 118.35 1c89 n ASN 39 Ca 0.08 0.27 0.10 0.00 -0.11 0.00 0.00 54.58 54.93 1c89 n ASN 39 Cb 0.11 -0.65 0.42 0.00 1.24 0.00 0.00 39.78 40.90 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1c89 n LEU 40 N -4.07 0.36 -4.75 1.20 4.32 0.85 -4.58 117.00 110.33 1c89 n LEU 40 Ca -0.33 0.58 -0.36 0.00 -0.02 0.00 0.00 56.01 55.88 1c89 n LEU 40 Cb 0.68 -0.52 0.04 0.00 -1.62 0.00 0.00 43.42 42.00 1c89 n LEU 40 CO 0.07 -0.36 0.85 -0.69 -1.22 0.00 0.00 177.39 176.04 1c89 s VAL 41 N -3.15 2.52 -0.07 4.08 1.01 -0.59 -2.39 120.40 121.81 1c89 s VAL 41 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1c89 s VAL 41 Cb 0.10 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1c89 s VAL 41 CO 0.37 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1c89 n GLY 42 N 0.56 0.06 3.83 4.51 0.00 0.73 -4.85 105.19 110.03 1c89 n GLY 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1c89 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 43 N -2.05 4.15 0.08 1.61 1.00 -1.00 -4.10 119.30 118.98 1c89 s MET 43 Ca 0.00 1.04 -0.21 0.00 0.00 0.00 0.00 55.69 56.53 1c89 s MET 43 Cb 0.00 -2.19 -0.07 0.00 0.00 0.00 0.00 34.83 32.57 1c89 s MET 43 CO 0.00 -0.07 0.61 -0.65 0.00 0.00 0.00 175.02 174.91 1c89 s GLN 44 N -3.37 4.29 0.35 2.03 1.11 -1.25 -2.66 119.66 120.16 1c89 s GLN 44 Ca 0.61 0.82 0.05 0.00 0.01 0.00 0.00 55.36 56.84 1c89 s GLN 44 Cb -0.09 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.63 1c89 s GLN 44 CO 0.17 0.57 0.51 0.14 0.01 0.00 0.00 175.29 176.70 1c89 s VAL 45 N -0.94 4.25 -0.57 1.09 -7.23 -1.25 -4.50 120.40 111.26 1c89 s VAL 45 Ca 0.31 -0.85 0.22 0.00 -1.81 0.00 0.00 61.98 59.85 1c89 s VAL 45 Cb -0.20 -3.50 -0.20 0.00 0.56 0.00 0.00 36.38 33.04 1c89 s VAL 45 CO 0.20 -0.24 0.87 0.59 -0.31 0.00 0.00 175.10 176.21 1c89 n ASN 46 N -1.72 0.57 -4.43 4.85 3.02 0.57 -2.03 115.26 116.08 1c89 n ASN 46 Ca -0.01 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 53.97 1c89 n ASN 46 Cb 0.58 1.13 -0.10 0.00 -0.61 0.00 0.00 39.78 40.77 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1c89 s ARG 47 N -3.22 1.65 0.74 3.52 1.81 -1.26 -4.84 118.95 117.35 1c89 s ARG 47 Ca 0.02 -1.92 -0.11 0.00 -1.72 0.00 0.00 55.73 52.00 1c89 s ARG 47 Cb 0.15 -0.82 0.04 0.00 -0.45 0.00 0.00 34.95 33.87 1c89 s ARG 47 CO 0.84 -0.21 1.08 0.00 -0.68 0.00 0.00 175.30 176.34 1c89 s ALA 48 N -3.33 2.54 -0.33 2.13 0.00 -1.26 -4.30 121.76 117.21 1c89 s ALA 48 Ca 0.36 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1c89 s ALA 48 Cb 0.08 -3.10 0.09 0.00 0.00 0.00 0.00 23.12 20.19 1c89 s ALA 48 CO 0.15 -1.42 0.03 0.08 0.00 0.00 0.00 175.76 174.60 1c89 s VAL 49 N -3.17 2.25 -0.38 0.00 1.01 0.69 -4.97 120.40 115.83 1c89 s VAL 49 Ca 0.59 -2.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1c89 s VAL 49 Cb -0.13 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 1c89 s VAL 49 CO 0.54 -0.52 2.23 -0.81 0.00 0.00 0.00 175.10 176.54 1c89 n PRO 50 N 4.28 1.55 -1.48 2.72 -0.04 -1.26 -1.68 135.00 139.08 1c89 n PRO 50 Ca 0.01 -0.94 0.01 0.00 -0.04 0.00 0.00 63.50 62.55 1c89 n PRO 50 Cb 0.42 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1c89 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1c89 n LEU 51 N 3.31 -1.35 -3.08 1.53 4.77 -1.25 -4.57 117.00 116.35 1c89 n LEU 51 Ca 0.33 2.35 -0.17 0.00 -0.03 0.00 0.00 56.01 58.49 1c89 n LEU 51 Cb 0.37 -2.92 -0.01 0.00 -2.33 0.00 0.00 43.42 38.52 1c89 n LEU 51 CO 0.39 -0.78 -0.07 0.61 -1.33 0.00 0.00 177.39 176.22 1c89 n GLY 52 N -2.66 -0.48 3.59 -0.72 0.00 0.63 -4.86 105.19 100.69 1c89 n GLY 52 Ca -0.01 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.66 4.71 0.76 2.61 2.01 -1.20 -4.69 115.64 117.19 1c89 s THR 53 Ca 0.26 0.98 -0.14 0.00 0.31 0.00 0.00 61.69 63.10 1c89 s THR 53 Cb -0.14 -4.22 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1c89 s THR 53 CO 0.32 -0.43 1.21 0.28 -0.69 0.00 0.00 174.62 175.32 1c89 s THR 54 N 3.15 2.17 -0.63 -0.82 -1.32 -1.26 -1.20 115.64 115.73 1c89 s THR 54 Ca 0.33 0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.62 1c89 s THR 54 Cb -0.13 -2.61 0.01 0.00 -1.51 0.00 0.00 72.50 68.26 1c89 s THR 54 CO 0.17 -0.05 1.52 -0.22 -2.21 0.00 0.00 174.62 173.82 1c89 s LEU 55 N -5.36 3.29 -0.09 9.08 1.98 -0.30 -4.84 118.68 122.44 1c89 s LEU 55 Ca 0.74 0.09 -0.10 0.00 -2.89 0.00 0.00 54.13 51.97 1c89 s LEU 55 Cb -0.29 -2.75 -0.05 0.00 0.66 0.00 0.00 46.19 43.76 1c89 s LEU 55 CO 0.47 -1.95 0.23 -0.32 -1.89 0.00 0.00 176.35 172.89 1c89 s MET 56 N 6.05 3.65 0.47 1.98 -2.45 -1.26 -1.82 119.30 125.92 1c89 s MET 56 Ca 0.52 0.04 0.27 0.00 -1.25 0.00 0.00 55.69 55.27 1c89 s MET 56 Cb -0.11 -3.22 0.95 0.00 1.25 0.00 0.00 34.83 33.70 1c89 s MET 56 CO 0.21 0.71 1.83 -1.00 1.05 0.00 0.00 175.02 177.81 1c89 h PRO 57 N 5.04 0.00 0.00 4.11 0.13 -1.94 -2.85 132.00 136.49 1c89 h PRO 57 Ca -0.53 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 1c89 h PRO 57 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 57 CO 0.61 0.13 -0.19 0.22 -0.23 0.00 0.00 178.00 178.53 1c89 h ASP 58 N 0.00 0.00 -0.13 1.44 1.82 -1.98 -3.00 116.42 114.57 1c89 h ASP 58 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c89 h ASP 58 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 1c89 h ASP 58 CO 0.02 0.19 0.00 0.23 -1.61 0.00 0.00 179.24 178.07 1c89 n MET 59 N -3.27 1.86 -4.38 0.28 2.81 -1.09 -4.89 117.12 108.43 1c89 n MET 59 Ca 0.01 -1.79 -0.33 0.00 -1.81 0.00 0.00 57.70 53.79 1c89 n MET 59 Cb 0.47 -1.38 -0.16 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 -1.48 2.09 0.00 2.03 1.01 -1.11 -0.32 120.40 122.63 1c89 s VAL 60 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1c89 s VAL 60 Cb 0.17 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1c89 s VAL 60 CO 0.24 0.54 0.00 0.29 0.00 0.00 0.00 175.10 176.18 1c89 n LYS 61 N 4.35 0.00 -2.62 2.72 4.76 -1.26 -4.49 118.16 121.62 1c89 n LYS 61 Ca -0.20 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.80 1c89 n LYS 61 Cb 0.51 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1c89 n LYS 61 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1c89 n ASN 62 N 0.00 5.27 0.00 4.39 6.94 -1.26 -4.92 115.26 125.68 1c89 n ASN 62 Ca 0.00 -3.10 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1c89 n ASN 62 Cb 0.00 -1.48 0.00 0.00 -2.36 0.00 0.00 39.78 35.94 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1c89 n TYR 63 N 4.10 0.00 1.60 -2.53 0.18 -1.26 -3.64 117.16 115.60 1c89 n TYR 63 Ca 0.37 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.26 1c89 n TYR 63 Cb 0.38 0.00 0.64 0.00 -0.38 0.00 0.00 39.34 39.98 1c89 n TYR 63 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1c89 n GLU 64 N 0.00 0.80 -0.86 -3.48 0.28 -1.26 -4.24 120.64 111.87 1c89 n GLU 64 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 1c89 n GLU 64 Cb 0.00 -1.42 -0.08 0.00 1.43 0.00 0.00 31.44 31.37 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1c89 n ASP 65 N -0.92 5.24 -3.47 -1.84 9.92 -1.24 -4.54 116.55 119.70 1c89 n ASP 65 Ca 0.16 -2.33 -0.26 0.00 -0.53 0.00 0.00 54.79 51.83 1c89 n ASP 65 Cb 0.07 -1.18 -0.09 0.00 -0.64 0.00 0.00 41.12 39.28 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 3.15 3.30 3.78 0.44 0.00 -1.26 -4.44 105.19 110.15 1c89 n GLY 66 Ca 0.46 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.12 2.99 -0.17 2.61 -4.23 -1.25 -5.00 115.64 109.46 1c89 s THR 67 Ca 0.33 0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1c89 s THR 67 Cb 0.08 -2.98 -0.22 0.00 1.34 0.00 0.00 72.50 70.71 1c89 s THR 67 CO -0.13 -0.42 0.26 0.41 -0.54 0.00 0.00 174.62 174.20 1c89 n THR 68 N -3.55 1.64 -1.96 3.99 -1.04 -1.26 -4.76 114.28 107.34 1c89 n THR 68 Ca 0.07 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 1c89 n THR 68 Cb 0.56 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.14 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 -6.95 6.59 0.00 8.00 0.01 -1.26 -4.99 113.70 115.10 1c89 s SER 69 Ca -0.26 2.73 0.00 0.00 1.31 0.00 0.00 55.95 59.73 1c89 s SER 69 Cb 0.06 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1c89 s SER 69 CO 0.67 -0.74 0.00 -0.81 0.41 0.00 0.00 173.24 172.76 1c89 n PRO 70 N 2.25 0.00 0.00 12.44 -0.04 -1.26 -4.68 135.00 143.70 1c89 n PRO 70 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1c89 n PRO 70 Cb 0.40 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 2.43 0.25 2.40 0.55 0.00 -1.26 -3.39 105.19 106.18 1c89 n GLY 71 Ca 0.00 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.41 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 6.49 -4.62 0.99 4.77 -1.26 -4.92 117.00 118.45 1c89 n LEU 72 Ca 0.00 -4.02 -0.43 0.00 -0.03 0.00 0.00 56.01 51.54 1c89 n LEU 72 Cb 0.00 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 1c89 n LEU 72 CO 0.00 1.77 0.82 -1.59 -1.33 0.00 0.00 177.39 177.06 1c89 s LYS 73 N -1.12 3.93 0.23 3.23 -2.85 -1.22 -4.00 119.74 117.94 1c89 s LYS 73 Ca 0.60 0.75 0.06 0.00 -1.00 0.00 0.00 55.97 56.38 1c89 s LYS 73 Cb 0.35 -3.78 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 1c89 s LYS 73 CO -0.17 -0.92 0.20 0.45 0.10 0.00 0.00 175.35 175.01 1c89 s SER 74 N 1.80 5.61 -0.29 0.03 0.15 0.12 -4.49 113.70 116.63 1c89 s SER 74 Ca 0.40 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.58 1c89 s SER 74 Cb -0.12 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1c89 s SER 74 CO 0.17 -0.02 1.40 -0.69 1.20 0.00 0.00 173.24 175.31 1c89 s VAL 75 N -2.03 4.00 -0.07 4.45 1.01 -1.04 0.48 120.40 127.20 1c89 s VAL 75 Ca 0.33 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1c89 s VAL 75 Cb -0.08 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1c89 s VAL 75 CO 0.25 -0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.07 1c89 s VAL 76 N 4.69 2.99 -0.85 2.92 1.01 0.87 -1.98 120.40 130.05 1c89 s VAL 76 Ca 0.61 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1c89 s VAL 76 Cb -0.19 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 1c89 s VAL 76 CO 0.25 0.57 2.08 0.00 0.00 0.00 0.00 175.10 178.01 1c89 s ALA 77 N -0.43 1.42 0.40 5.51 0.00 0.18 -1.37 121.76 127.46 1c89 s ALA 77 Ca 0.05 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1c89 s ALA 77 Cb -0.12 -4.55 0.85 0.00 0.00 0.00 0.00 23.12 19.30 1c89 s ALA 77 CO 0.02 -5.08 2.00 -0.97 0.00 0.00 0.00 175.76 171.73 1c89 h ASN 78 N 11.97 0.53 -3.59 0.00 -0.00 -1.64 -0.14 115.58 122.70 1c89 h ASN 78 Ca 0.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.32 1c89 h ASN 78 Cb 1.02 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1c89 h ASN 78 CO 1.15 0.35 -0.01 0.00 -0.00 0.00 0.00 177.43 178.92 1c89 n GLN 79 N -4.47 1.48 -3.86 6.67 6.02 -1.24 -3.72 117.38 118.26 1c89 n GLN 79 Ca 0.08 -0.18 -0.35 0.00 -0.01 0.00 0.00 57.00 56.54 1c89 n GLN 79 Cb 0.20 0.02 -0.09 0.00 1.02 0.00 0.00 30.24 31.39 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 4.02 -0.16 1.08 0.20 -1.26 -3.76 118.68 118.80 1c89 s LEU 80 Ca 0.01 0.16 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1c89 s LEU 80 Cb -0.00 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1c89 s LEU 80 CO 0.01 0.18 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.42 1c89 s ILE 81 N 0.36 1.96 0.69 6.68 1.09 -0.73 -4.97 121.20 126.28 1c89 s ILE 81 Ca 0.06 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.58 1c89 s ILE 81 Cb -0.12 -1.76 0.01 0.00 -1.06 0.00 0.00 42.46 39.53 1c89 s ILE 81 CO -0.01 0.53 1.08 -2.16 -0.10 0.00 0.00 174.94 174.27 1c89 s PRO 82 N 1.10 2.80 0.66 2.79 0.04 -1.26 0.86 135.00 141.98 1c89 s PRO 82 Ca -0.01 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1c89 s PRO 82 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1c89 s PRO 82 CO -0.08 -1.22 0.25 -0.89 0.04 0.00 0.00 177.00 175.11 1c89 n ILE 83 N -2.91 1.32 -3.42 0.56 5.41 -1.25 -3.39 119.36 115.68 1c89 n ILE 83 Ca 0.09 -0.46 -0.26 0.00 1.00 0.00 0.00 62.75 63.12 1c89 n ILE 83 Cb 0.53 -0.48 0.02 0.00 -0.71 0.00 0.00 39.64 39.00 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 0.89 -5.99 -3.53 4.38 3.02 -0.17 -4.93 115.26 108.92 1c89 n ASN 84 Ca 0.09 -0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.20 1c89 n ASN 84 Cb 0.49 -2.68 -0.14 0.00 -0.61 0.00 0.00 39.78 36.84 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 -2.21 -0.25 -0.88 3.41 2.01 -1.22 -4.82 115.64 111.68 1c89 s THR 85 Ca 0.23 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 1c89 s THR 85 Cb -0.03 -0.64 -0.19 0.00 0.01 0.00 0.00 72.50 71.65 1c89 s THR 85 CO 0.85 -0.23 2.08 0.00 -0.69 0.00 0.00 174.62 176.63 1c89 n ALA 86 N 5.31 0.31 -1.88 7.40 0.00 -1.26 -4.08 120.51 126.31 1c89 n ALA 86 Ca -0.06 -1.78 -0.39 0.00 0.00 0.00 0.00 53.44 51.21 1c89 n ALA 86 Cb 0.49 -2.96 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 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 13.85 4.59 0.51 0.00 2.34 -1.05 -4.61 118.68 134.30 1c89 s LEU 87 Ca 0.79 1.77 0.01 0.00 0.06 0.00 0.00 54.13 56.76 1c89 s LEU 87 Cb -0.11 -3.49 -0.01 0.00 -0.56 0.00 0.00 46.19 42.02 1c89 s LEU 87 CO 0.16 0.16 0.02 0.42 -1.06 0.00 0.00 176.35 176.05 1c89 s THR 88 N -1.22 1.02 0.60 5.48 -4.23 -1.26 0.25 115.64 116.28 1c89 s THR 88 Ca 0.39 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.19 1c89 s THR 88 Cb -0.24 -2.13 0.40 0.00 1.34 0.00 0.00 72.50 71.88 1c89 s THR 88 CO 0.28 0.00 1.65 0.17 -0.54 0.00 0.00 174.62 176.18 1c89 h LEU 89 N 1.38 0.00 -0.48 4.79 -0.00 -1.93 0.15 115.31 119.22 1c89 h LEU 89 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1c89 h LEU 89 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.95 1c89 h LEU 89 CO 0.71 0.00 0.26 1.62 -0.00 0.00 0.00 178.44 181.04 1c89 h VAL 90 N 0.00 1.17 0.00 0.15 3.04 -2.01 -2.79 116.25 115.81 1c89 h VAL 90 Ca 0.35 -0.43 -0.04 0.00 -1.01 0.00 0.00 66.70 65.57 1c89 h VAL 90 Cb 1.96 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1c89 h VAL 90 CO -0.00 0.18 -0.66 0.24 -1.01 0.00 0.00 177.57 176.32 1c89 h MET 91 N 0.64 0.00 -5.20 4.17 2.86 -1.11 -3.45 114.93 112.84 1c89 h MET 91 Ca 0.17 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.20 1c89 h MET 91 Cb 0.05 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.58 1c89 h MET 91 CO -0.03 0.11 -0.50 -1.64 1.06 0.00 0.00 176.91 175.91 1c89 s MET 92 N -3.19 4.13 -0.14 1.72 1.00 -0.73 -2.02 119.30 120.06 1c89 s MET 92 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 55.69 55.48 1c89 s MET 92 Cb 0.08 -3.45 0.02 0.00 0.00 0.00 0.00 34.83 31.47 1c89 s MET 92 CO 0.75 0.21 -0.19 0.15 0.00 0.00 0.00 175.02 175.94 1c89 s LYS 93 N 0.63 2.70 -0.82 2.03 1.02 -0.47 -4.65 119.74 120.17 1c89 s LYS 93 Ca 0.07 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.08 1c89 s LYS 93 Cb -0.12 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1c89 s LYS 93 CO 0.01 -0.11 1.60 0.00 -0.92 0.00 0.00 175.35 175.93 1c89 s ALA 94 N 1.08 2.38 0.15 5.17 0.00 -1.26 -0.09 121.76 129.18 1c89 s ALA 94 Ca -0.02 -1.48 0.09 0.00 0.00 0.00 0.00 51.96 50.55 1c89 s ALA 94 Cb -0.14 -4.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.53 1c89 s ALA 94 CO -0.06 -3.84 -0.21 -1.83 0.00 0.00 0.00 175.76 169.82 1c89 s GLU 95 N 6.10 1.29 -0.67 0.00 -1.05 0.18 -4.64 118.70 119.91 1c89 s GLU 95 Ca 0.53 -1.35 -0.26 0.00 -0.15 0.00 0.00 54.97 53.73 1c89 s GLU 95 Cb -0.07 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 32.08 1c89 s GLU 95 CO 0.06 0.33 1.91 -1.21 0.95 0.00 0.00 175.26 177.31 1c89 s GLU 96 N -2.43 2.57 0.07 -4.83 8.01 -1.26 0.13 118.70 120.97 1c89 s GLU 96 Ca 0.14 0.45 0.05 0.00 0.01 0.00 0.00 54.97 55.62 1c89 s GLU 96 Cb -0.08 -4.55 -0.03 0.00 -4.31 0.00 0.00 34.13 25.16 1c89 s GLU 96 CO 0.06 -2.92 -0.14 0.08 0.01 0.00 0.00 175.26 172.35 1c89 s VAL 97 N 9.53 1.13 0.05 2.63 1.01 -1.26 -3.94 120.40 129.55 1c89 s VAL 97 Ca 0.70 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1c89 s VAL 97 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1c89 s VAL 97 CO 0.16 -0.21 -0.02 -0.55 0.00 0.00 0.00 175.10 174.48 1c89 s SER 98 N -1.71 4.91 0.96 3.32 0.15 -1.26 -3.78 113.70 116.28 1c89 s SER 98 Ca -0.02 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1c89 s SER 98 Cb -0.10 -1.17 0.17 0.00 -1.71 0.00 0.00 66.02 63.21 1c89 s SER 98 CO 0.02 0.23 1.19 -2.16 1.20 0.00 0.00 173.24 173.71 1c89 s PRO 99 N -1.92 0.71 -0.84 5.44 0.04 -1.26 -4.83 135.00 132.34 1c89 s PRO 99 Ca 0.22 0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.04 1c89 s PRO 99 Cb -0.11 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1c89 s PRO 99 CO 0.13 -2.44 1.61 -1.59 0.04 0.00 0.00 177.00 174.76 1c89 s LYS 100 N -5.49 3.05 0.00 4.56 0.00 -1.25 -4.93 119.74 115.68 1c89 s LYS 100 Ca 0.67 -0.36 0.00 0.00 0.00 0.00 0.00 55.97 56.28 1c89 s LYS 100 Cb -0.11 -4.80 0.00 0.00 0.00 0.00 0.00 37.83 32.92 1c89 s LYS 100 CO 0.53 -2.58 0.00 0.41 0.00 0.00 0.00 175.35 173.71 1c89 n GLY 101 N 6.27 -0.88 3.47 0.59 0.00 -1.26 -4.92 105.19 108.47 1c89 n GLY 101 Ca 0.25 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.83 0.59 -0.61 1.01 -0.44 -4.95 121.20 120.62 1c89 s ILE 102 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 1c89 s ILE 102 Cb 0.00 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1c89 s ILE 102 CO 0.00 0.48 1.07 -2.16 0.00 0.00 0.00 174.94 174.33 1c89 s PRO 103 N 0.57 3.28 -0.54 2.79 0.04 -1.26 -2.49 135.00 137.38 1c89 s PRO 103 Ca -0.03 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 1c89 s PRO 103 Cb -0.14 -2.02 -0.19 0.00 0.04 0.00 0.00 34.50 32.18 1c89 s PRO 103 CO 0.03 -0.86 3.21 0.45 0.04 0.00 0.00 177.00 179.87 1c89 n SER 104 N -1.89 6.05 -0.04 6.66 2.88 -1.26 -4.46 113.62 121.57 1c89 n SER 104 Ca 0.09 -2.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.08 1c89 n SER 104 Cb 0.52 -1.38 -0.09 0.00 -0.75 0.00 0.00 64.21 62.51 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 3.91 -0.04 -0.16 -1.46 5.08 -1.97 -3.37 114.58 116.57 1c89 h GLU 105 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1c89 h GLU 105 Cb 1.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1c89 h GLU 105 CO 0.77 0.59 -0.00 0.39 -1.00 0.00 0.00 179.01 179.77 1c89 n GLU 106 N -4.73 2.26 -0.33 2.33 1.02 -1.26 -4.70 120.64 115.22 1c89 n GLU 106 Ca -0.07 -2.75 0.10 0.00 -0.02 0.00 0.00 57.16 54.42 1c89 n GLU 106 Cb 0.32 -1.71 0.27 0.00 -0.02 0.00 0.00 31.44 30.30 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 107 N 1.08 0.74 -1.11 -3.67 2.10 -1.84 0.32 117.51 115.13 1c89 h ILE 107 Ca 0.00 -0.25 0.33 0.00 1.08 0.00 0.00 64.86 66.02 1c89 h ILE 107 Cb 1.27 -0.06 -0.12 0.00 -1.09 0.00 0.00 36.82 36.82 1c89 h ILE 107 CO 0.14 0.13 0.69 -1.28 -1.08 0.00 0.00 178.15 176.75 1c89 h SER 108 N 0.73 0.42 0.78 2.19 0.87 -1.88 1.97 113.55 118.63 1c89 h SER 108 Ca 0.52 0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.97 1c89 h SER 108 Cb 0.75 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1c89 h SER 108 CO -0.36 -0.06 -1.30 0.50 -0.53 0.00 0.00 176.83 175.08 1c89 h LYS 109 N 0.29 0.01 -0.02 2.24 1.63 -1.32 -3.28 116.57 116.12 1c89 h LYS 109 Ca 0.71 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1c89 h LYS 109 Cb 1.86 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1c89 h LYS 109 CO -0.44 0.80 -0.02 1.28 -3.45 0.00 0.00 179.45 177.63 1c89 n LEU 110 N -3.23 1.90 -4.74 5.20 4.77 0.16 -4.93 117.00 116.13 1c89 n LEU 110 Ca -0.07 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1c89 n LEU 110 Cb 0.99 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1c89 n LEU 110 CO 0.46 0.32 1.30 -0.69 -1.33 0.00 0.00 177.39 177.45 1c89 s VAL 111 N -2.03 2.05 0.00 4.08 1.01 0.62 -1.61 120.40 124.51 1c89 s VAL 111 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1c89 s VAL 111 Cb 0.21 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1c89 s VAL 111 CO 0.34 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1c89 n GLY 112 N 2.90 0.51 3.78 4.51 0.00 0.69 -4.88 105.19 112.70 1c89 n GLY 112 Ca 0.11 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.98 4.14 -0.12 1.61 0.00 -0.63 -4.24 119.30 119.08 1c89 s MET 113 Ca 0.00 1.59 -0.22 0.00 0.00 0.00 0.00 55.69 57.06 1c89 s MET 113 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 34.83 32.22 1c89 s MET 113 CO 0.00 -0.18 0.65 -0.65 0.00 0.00 0.00 175.02 174.85 1c89 s GLN 114 N -2.43 4.34 0.55 3.16 -0.21 -1.26 -2.52 119.66 121.30 1c89 s GLN 114 Ca 0.57 0.74 -0.07 0.00 0.02 0.00 0.00 55.36 56.62 1c89 s GLN 114 Cb -0.24 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.25 1c89 s GLN 114 CO 0.30 -0.05 0.89 0.54 -2.12 0.00 0.00 175.29 174.86 1c89 s VAL 115 N 1.22 4.57 -0.73 1.09 0.11 -1.26 -4.60 120.40 120.80 1c89 s VAL 115 Ca 0.33 0.39 0.21 0.00 -2.93 0.00 0.00 61.98 59.97 1c89 s VAL 115 Cb -0.17 -3.78 -0.25 0.00 -1.53 0.00 0.00 36.38 30.65 1c89 s VAL 115 CO 0.14 -0.87 0.77 -3.20 -3.33 0.00 0.00 175.10 168.61 1c89 n ASN 116 N -2.50 0.77 -4.56 3.54 5.15 -1.26 -1.00 115.26 115.40 1c89 n ASN 116 Ca 0.03 -0.74 -0.28 0.00 -0.60 0.00 0.00 54.58 52.99 1c89 n ASN 116 Cb 0.55 1.24 -0.09 0.00 -0.53 0.00 0.00 39.78 40.95 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 -3.06 1.98 0.38 1.20 1.70 -1.26 -4.61 118.95 115.27 1c89 s ARG 117 Ca 0.04 -2.19 -0.21 0.00 -0.47 0.00 0.00 55.73 52.90 1c89 s ARG 117 Cb 0.15 -1.29 -0.10 0.00 -0.57 0.00 0.00 34.95 33.13 1c89 s ARG 117 CO 0.85 -0.25 0.90 0.00 -1.08 0.00 0.00 175.30 175.71 1c89 s ALA 118 N -2.96 3.15 -0.03 7.88 0.00 -1.26 -3.79 121.76 124.75 1c89 s ALA 118 Ca 0.23 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1c89 s ALA 118 Cb 0.06 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1c89 s ALA 118 CO 0.12 0.19 -0.22 0.08 0.00 0.00 0.00 175.76 175.92 1c89 s VAL 119 N -1.99 1.76 0.00 0.00 1.01 0.25 -4.86 120.40 116.58 1c89 s VAL 119 Ca 0.57 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1c89 s VAL 119 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1c89 s VAL 119 CO 0.16 0.50 0.00 -1.22 0.00 0.00 0.00 175.10 174.54 1c89 n TYR 120 N 2.72 -2.66 0.00 5.22 4.01 -1.26 -1.77 117.16 123.41 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -4.41 7.72 -0.00 -1.25 -4.18 117.00 114.88 1c89 n LEU 121 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1c89 n LEU 121 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1c89 n LEU 121 CO 0.00 0.00 1.66 -0.90 -0.00 0.00 0.00 177.39 178.15 1c89 n ASP 122 N 0.00 -0.90 -4.41 1.96 5.75 -0.09 -4.45 116.55 114.40 1c89 n ASP 122 Ca 0.00 -1.00 -0.30 0.00 -0.01 0.00 0.00 54.79 53.48 1c89 n ASP 122 Cb 0.00 -0.80 -0.13 0.00 -1.03 0.00 0.00 41.12 39.16 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1c89 s GLN 123 N 6.98 1.87 0.13 0.11 0.74 -1.03 -4.49 119.66 123.97 1c89 s GLN 123 Ca 0.95 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 1c89 s GLN 123 Cb -0.51 -2.07 -0.06 0.00 1.10 0.00 0.00 33.01 31.47 1c89 s GLN 123 CO 0.35 0.51 1.03 0.99 -0.55 0.00 0.00 175.29 177.62 1c89 s THR 124 N -0.91 4.26 -0.01 -0.34 2.01 -1.26 0.50 115.64 119.89 1c89 s THR 124 Ca 0.14 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.71 1c89 s THR 124 Cb -0.10 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1c89 s THR 124 CO 0.04 0.28 1.38 -0.22 -0.69 0.00 0.00 174.62 175.42 1c89 s LEU 125 N -0.02 4.31 -0.02 4.42 2.96 -0.84 -4.89 118.68 124.60 1c89 s LEU 125 Ca 0.49 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.51 1c89 s LEU 125 Cb -0.26 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 1c89 s LEU 125 CO 0.31 -0.71 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.43 1c89 s MET 126 N 2.44 1.45 0.33 1.98 -1.94 -1.26 -1.33 119.30 120.97 1c89 s MET 126 Ca 0.63 -0.60 0.16 0.00 -1.71 0.00 0.00 55.69 54.16 1c89 s MET 126 Cb -0.30 -1.37 0.50 0.00 2.01 0.00 0.00 34.83 35.67 1c89 s MET 126 CO 0.26 0.34 1.66 -1.00 -0.01 0.00 0.00 175.02 176.26 1c89 h PRO 127 N 5.82 0.00 0.00 2.03 0.13 -1.92 -2.72 132.00 135.34 1c89 h PRO 127 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1c89 h PRO 127 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c89 h PRO 127 CO 0.48 0.48 0.00 0.38 -0.23 0.00 0.00 178.00 179.11 1c89 h ASP 128 N 0.00 0.00 0.01 1.44 3.04 -2.02 -3.25 116.42 115.64 1c89 h ASP 128 Ca -0.00 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.39 1c89 h ASP 128 Cb 1.03 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.26 1c89 h ASP 128 CO 0.06 0.00 -2.24 0.23 -2.04 0.00 0.00 179.24 175.25 1c89 n MET 129 N -2.59 0.61 -2.29 4.15 2.81 -1.10 -4.88 117.12 113.84 1c89 n MET 129 Ca 0.02 0.30 -0.43 0.00 -1.81 0.00 0.00 57.70 55.78 1c89 n MET 129 Cb 0.28 -1.57 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 130 N -2.49 4.00 -0.65 2.03 1.01 -1.05 -4.66 120.40 118.60 1c89 s VAL 130 Ca -0.35 1.26 0.24 0.00 0.00 0.00 0.00 61.98 63.14 1c89 s VAL 130 Cb 0.11 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1c89 s VAL 130 CO 0.56 -0.07 1.26 0.29 0.00 0.00 0.00 175.10 177.13 1c89 n LYS 131 N 6.28 0.28 -0.26 2.72 5.02 -1.26 -3.70 118.16 127.24 1c89 n LYS 131 Ca 0.14 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 1c89 n LYS 131 Cb 0.44 -1.66 0.22 0.00 -0.02 0.00 0.00 35.03 34.01 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c89 n ASN 132 N -2.05 2.68 -4.71 4.39 5.15 -1.26 -4.94 115.26 114.52 1c89 n ASN 132 Ca 0.03 -2.02 -0.29 0.00 -0.60 0.00 0.00 54.58 51.69 1c89 n ASN 132 Cb 0.43 -0.34 0.15 0.00 -0.53 0.00 0.00 39.78 39.50 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1c89 s TYR 133 N -1.38 2.26 -1.60 1.20 5.04 -1.24 -5.02 117.35 116.62 1c89 s TYR 133 Ca 0.33 1.10 0.13 0.00 -2.44 0.00 0.00 57.07 56.19 1c89 s TYR 133 Cb 0.17 -3.22 0.10 0.00 0.35 0.00 0.00 41.96 39.37 1c89 s TYR 133 CO 0.22 -2.58 0.90 0.39 -1.34 0.00 0.00 175.55 173.14