#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 1.40 0.32 1.20 1.02 -1.26 -4.92 119.74 117.51 1c89 s LYS 2 Ca 0.00 -0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.54 1c89 s LYS 2 Cb 0.00 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 1c89 s LYS 2 CO 0.00 -1.92 1.06 0.00 -0.92 0.00 0.00 175.35 173.57 1c89 s ALA 3 N -3.68 3.27 0.40 5.17 0.00 -1.26 -4.52 121.76 121.14 1c89 s ALA 3 Ca 0.67 0.79 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1c89 s ALA 3 Cb -0.08 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1c89 s ALA 3 CO 0.50 -0.14 0.07 0.45 0.00 0.00 0.00 175.76 176.64 1c89 s SER 4 N -1.20 4.09 -0.89 0.00 0.15 0.12 -4.18 113.70 111.81 1c89 s SER 4 Ca 0.50 -1.23 -0.22 0.00 0.70 0.00 0.00 55.95 55.70 1c89 s SER 4 Cb -0.27 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 63.68 1c89 s SER 4 CO 0.34 -0.46 1.23 -0.69 1.20 0.00 0.00 173.24 174.87 1c89 s VAL 5 N -2.65 4.24 -0.37 4.45 1.01 -0.42 -2.57 120.40 124.09 1c89 s VAL 5 Ca 0.37 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1c89 s VAL 5 Cb 0.07 -4.88 0.03 0.00 0.00 0.00 0.00 36.38 31.60 1c89 s VAL 5 CO 0.20 -1.69 0.19 -0.69 0.00 0.00 0.00 175.10 173.10 1c89 s VAL 6 N 4.13 4.37 0.13 2.92 1.01 -0.76 -0.62 120.40 131.59 1c89 s VAL 6 Ca 0.36 -0.96 -0.35 0.00 0.00 0.00 0.00 61.98 61.02 1c89 s VAL 6 Cb -0.06 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.70 1c89 s VAL 6 CO -0.03 -0.24 1.47 0.00 0.00 0.00 0.00 175.10 176.30 1c89 n ALA 7 N 4.95 0.35 0.03 5.51 0.00 0.31 -2.50 120.51 129.17 1c89 n ALA 7 Ca -0.12 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1c89 n ALA 7 Cb 0.45 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 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 5.31 0.43 -2.09 0.00 -0.73 -1.82 1.18 115.58 117.87 1c89 h ASN 8 Ca -0.46 -0.90 -0.46 0.00 1.87 0.00 0.00 56.30 56.35 1c89 h ASN 8 Cb 1.29 -0.14 0.07 0.00 0.27 0.00 0.00 38.32 39.81 1c89 h ASN 8 CO 0.84 1.52 0.05 0.00 -0.37 0.00 0.00 177.43 179.47 1c89 s GLN 9 N -2.46 1.93 -0.08 6.67 -2.07 -1.26 -2.44 119.66 119.95 1c89 s GLN 9 Ca -0.17 -1.10 -0.20 0.00 -1.82 0.00 0.00 55.36 52.07 1c89 s GLN 9 Cb 0.03 -2.40 -0.04 0.00 -1.09 0.00 0.00 33.01 29.51 1c89 s GLN 9 CO 0.80 -1.23 0.56 -1.17 -1.32 0.00 0.00 175.29 172.93 1c89 s LEU 10 N -5.01 4.32 -0.09 2.60 0.20 -1.26 -4.20 118.68 115.24 1c89 s LEU 10 Ca 0.64 0.99 -0.00 0.00 0.69 0.00 0.00 54.13 56.45 1c89 s LEU 10 Cb -0.06 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 42.82 1c89 s LEU 10 CO 0.42 -0.01 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.80 1c89 s ILE 11 N 0.49 3.85 0.00 6.68 -1.09 0.23 -4.93 121.20 126.42 1c89 s ILE 11 Ca 0.30 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1c89 s ILE 11 Cb -0.16 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1c89 s ILE 11 CO 0.14 0.58 0.00 -0.81 -1.23 0.00 0.00 174.94 173.62 1c89 n PRO 12 N 2.41 0.65 -2.51 2.79 -0.04 -1.26 0.26 135.00 137.30 1c89 n PRO 12 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1c89 n PRO 12 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.21 4.86 -0.76 0.52 1.09 -1.26 -3.96 121.20 121.48 1c89 s ILE 13 Ca 0.00 0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.85 1c89 s ILE 13 Cb 0.00 -3.85 0.01 0.00 -1.06 0.00 0.00 42.46 37.56 1c89 s ILE 13 CO 0.00 -0.88 0.52 -0.46 -0.10 0.00 0.00 174.94 174.02 1c89 n ASN 14 N -2.26 -3.86 -3.99 3.58 0.23 -0.52 -4.85 115.26 103.59 1c89 n ASN 14 Ca 0.02 -0.89 -0.24 0.00 -0.53 0.00 0.00 54.58 52.94 1c89 n ASN 14 Cb 0.55 -1.32 -0.17 0.00 -2.08 0.00 0.00 39.78 36.76 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -3.03 1.02 -0.33 5.53 2.01 -1.26 -4.75 115.64 114.82 1c89 s THR 15 Ca 0.09 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1c89 s THR 15 Cb -0.05 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 1c89 s THR 15 CO 0.77 0.33 1.46 0.00 -0.69 0.00 0.00 174.62 176.49 1c89 s ALA 16 N 0.79 3.18 0.59 7.40 0.00 -1.25 -3.75 121.76 128.71 1c89 s ALA 16 Ca -0.13 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 1c89 s ALA 16 Cb -0.15 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 1c89 s ALA 16 CO 0.02 -2.13 1.27 -0.51 0.00 0.00 0.00 175.76 174.41 1c89 s LEU 17 N 5.20 3.69 0.36 0.00 1.43 -1.08 -4.52 118.68 123.77 1c89 s LEU 17 Ca 0.64 2.54 0.08 0.00 -1.03 0.00 0.00 54.13 56.37 1c89 s LEU 17 Cb -0.18 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 1c89 s LEU 17 CO 0.29 -1.69 -0.06 0.42 0.23 0.00 0.00 176.35 175.54 1c89 s THR 18 N -1.46 2.08 0.38 5.49 -4.23 -1.26 0.21 115.64 116.85 1c89 s THR 18 Ca 0.77 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1c89 s THR 18 Cb -0.35 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1c89 s THR 18 CO 0.38 -0.14 2.02 -0.07 -0.54 0.00 0.00 174.62 176.27 1c89 h LEU 19 N 1.97 0.58 -0.65 4.79 -0.00 -1.96 -1.75 115.31 118.30 1c89 h LEU 19 Ca -0.42 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.36 1c89 h LEU 19 Cb 1.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1c89 h LEU 19 CO 0.73 0.41 0.05 0.40 -0.00 0.00 0.00 178.44 180.03 1c89 h ILE 20 N 0.68 1.27 -0.08 1.22 5.03 -2.02 -2.11 117.51 121.49 1c89 h ILE 20 Ca 0.22 -1.11 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 1c89 h ILE 20 Cb 0.05 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1c89 h ILE 20 CO -0.06 0.41 0.00 0.23 -0.68 0.00 0.00 178.15 178.05 1c89 n MET 21 N -4.19 1.26 -3.96 2.37 2.81 -0.72 -4.72 117.12 109.96 1c89 n MET 21 Ca 0.04 -0.40 -0.35 0.00 -1.81 0.00 0.00 57.70 55.18 1c89 n MET 21 Cb 0.32 -1.25 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 1c89 n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 22 N -1.90 3.25 -0.25 0.03 -1.94 -0.79 -2.70 119.30 114.99 1c89 s MET 22 Ca 0.22 -0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 1c89 s MET 22 Cb 0.11 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 34.04 1c89 s MET 22 CO 0.17 -0.22 -0.00 0.15 -0.01 0.00 0.00 175.02 175.11 1c89 s LYS 23 N 1.43 3.19 -1.41 2.03 -0.14 -1.04 -4.91 119.74 118.88 1c89 s LYS 23 Ca 0.05 -0.76 -0.14 0.00 -1.36 0.00 0.00 55.97 53.76 1c89 s LYS 23 Cb -0.14 -3.14 -0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1c89 s LYS 23 CO -0.06 -0.32 2.33 0.00 -0.76 0.00 0.00 175.35 176.54 1c89 n ALA 24 N 4.80 5.67 -2.84 5.17 0.00 -1.26 -1.82 120.51 130.23 1c89 n ALA 24 Ca -0.17 -3.72 -0.30 0.00 0.00 0.00 0.00 53.44 49.25 1c89 n ALA 24 Cb 0.49 -3.51 -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 3.20 3.12 -0.76 0.00 2.12 -1.06 -4.57 118.70 120.75 1c89 s GLU 25 Ca 0.52 -0.60 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 1c89 s GLU 25 Cb 0.15 -2.85 0.08 0.00 0.26 0.00 0.00 34.13 31.76 1c89 s GLU 25 CO -0.06 0.58 1.08 0.08 -0.54 0.00 0.00 175.26 176.39 1c89 s VAL 26 N -1.47 4.32 0.12 3.70 1.01 -1.26 -0.70 120.40 126.12 1c89 s VAL 26 Ca 0.32 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1c89 s VAL 26 Cb -0.12 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.46 1c89 s VAL 26 CO 0.25 -1.55 0.09 0.68 0.00 0.00 0.00 175.10 174.56 1c89 s VAL 27 N 4.00 0.12 0.06 2.92 -7.23 -1.26 -4.97 120.40 114.02 1c89 s VAL 27 Ca 0.28 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1c89 s VAL 27 Cb -0.12 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1c89 s VAL 27 CO 0.04 -0.53 0.17 0.28 -0.31 0.00 0.00 175.10 174.76 1c89 s THR 28 N -4.00 5.18 0.69 5.32 -1.32 -1.26 -3.63 115.64 116.61 1c89 s THR 28 Ca 0.19 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 60.11 1c89 s THR 28 Cb 0.07 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 1c89 s THR 28 CO -0.01 0.16 1.06 -2.16 -2.21 0.00 0.00 174.62 171.46 1c89 s PRO 29 N -2.41 3.02 -1.09 7.08 0.04 -1.26 -5.01 135.00 135.38 1c89 s PRO 29 Ca 0.33 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1c89 s PRO 29 Cb -0.13 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1c89 s PRO 29 CO 0.25 -1.02 1.92 0.00 0.04 0.00 0.00 177.00 178.20 1c89 n MET 30 N -3.07 1.89 0.00 4.56 0.00 -1.24 -4.93 117.12 114.33 1c89 n MET 30 Ca 0.07 -2.40 0.00 0.00 0.00 0.00 0.00 57.70 55.38 1c89 n MET 30 Cb 0.54 -3.41 0.00 0.00 0.00 0.00 0.00 33.22 30.35 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c89 n GLY 31 N 5.21 -2.83 3.74 3.17 0.00 -1.26 -4.78 105.19 108.43 1c89 n GLY 31 Ca 0.47 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.21 2.23 1.04 -0.61 1.01 -0.57 -4.72 121.20 119.37 1c89 s ILE 32 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 1c89 s ILE 32 Cb 0.00 -3.12 0.21 0.00 0.01 0.00 0.00 42.46 39.56 1c89 s ILE 32 CO 0.00 0.03 1.14 -2.16 0.00 0.00 0.00 174.94 173.94 1c89 s PRO 33 N 0.01 0.10 -0.08 2.79 0.04 -1.26 -1.30 135.00 135.30 1c89 s PRO 33 Ca 0.65 0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.88 1c89 s PRO 33 Cb -0.47 -1.73 0.25 0.00 0.04 0.00 0.00 34.50 32.60 1c89 s PRO 33 CO 0.42 -2.87 0.93 0.00 0.04 0.00 0.00 177.00 175.52 1c89 n ALA 34 N -4.21 2.99 -0.07 8.56 0.00 -1.26 -4.20 120.51 122.32 1c89 n ALA 34 Ca 0.09 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 1c89 n ALA 34 Cb 0.59 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 1.18 0.39 -0.92 0.00 5.08 -1.94 -2.93 114.58 115.44 1c89 h GLU 35 Ca 0.02 -0.14 -0.29 0.00 -1.00 0.00 0.00 59.36 57.95 1c89 h GLU 35 Cb 1.02 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.07 1c89 h GLU 35 CO 0.17 0.62 0.37 0.39 -1.00 0.00 0.00 179.01 179.56 1c89 n GLU 36 N -4.64 2.46 -0.32 2.33 -0.58 -1.26 -4.64 120.64 113.99 1c89 n GLU 36 Ca -0.04 -2.29 -0.08 0.00 -0.42 0.00 0.00 57.16 54.33 1c89 n GLU 36 Cb 0.27 -1.94 -0.04 0.00 -0.57 0.00 0.00 31.44 29.16 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 1.34 0.03 0.00 -3.67 1.08 -1.77 1.77 117.51 116.29 1c89 h ILE 37 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 1c89 h ILE 37 Cb 2.20 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1c89 h ILE 37 CO 0.71 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.36 1c89 n PRO 38 N -5.37 0.27 -0.11 2.37 -0.04 -1.26 -1.18 135.00 129.69 1c89 n PRO 38 Ca 0.03 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 1c89 n PRO 38 Cb 0.33 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.21 1.81 -0.64 3.54 5.15 0.55 -4.54 115.26 119.92 1c89 n ASN 39 Ca 0.08 0.15 0.12 0.00 -0.60 0.00 0.00 54.58 54.33 1c89 n ASN 39 Cb 0.10 -0.54 0.38 0.00 -0.53 0.00 0.00 39.78 39.19 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1c89 n LEU 40 N -3.69 1.95 -4.76 1.20 0.00 0.19 -4.89 117.00 106.98 1c89 n LEU 40 Ca -0.40 -0.74 -0.35 0.00 0.00 0.00 0.00 56.01 54.51 1c89 n LEU 40 Cb 0.83 -0.07 0.02 0.00 0.00 0.00 0.00 43.42 44.20 1c89 n LEU 40 CO 0.08 0.37 0.80 -0.69 0.00 0.00 0.00 177.39 177.95 1c89 s VAL 41 N -1.86 2.93 0.00 1.96 1.01 -0.33 -2.49 120.40 121.63 1c89 s VAL 41 Ca 0.35 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1c89 s VAL 41 Cb 0.20 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1c89 s VAL 41 CO 0.30 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1c89 n GLY 42 N 0.27 0.19 3.74 4.51 0.00 0.57 -4.83 105.19 109.64 1c89 n GLY 42 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.18 4.49 0.50 1.61 1.00 -1.04 -3.97 119.30 120.72 1c89 s MET 43 Ca 0.00 1.91 -0.14 0.00 0.00 0.00 0.00 55.69 57.46 1c89 s MET 43 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 34.83 31.54 1c89 s MET 43 CO 0.00 -0.07 0.93 -0.65 0.00 0.00 0.00 175.02 175.23 1c89 s GLN 44 N -0.47 3.84 0.38 2.03 -0.21 -1.25 -2.62 119.66 121.36 1c89 s GLN 44 Ca 0.52 0.77 0.08 0.00 0.02 0.00 0.00 55.36 56.75 1c89 s GLN 44 Cb -0.33 -2.20 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 1c89 s GLN 44 CO 0.38 -0.25 0.33 0.14 -2.12 0.00 0.00 175.29 173.77 1c89 s VAL 45 N -2.64 3.06 -0.15 1.09 -7.23 -1.25 -4.67 120.40 108.61 1c89 s VAL 45 Ca 0.56 -1.37 0.16 0.00 -1.81 0.00 0.00 61.98 59.52 1c89 s VAL 45 Cb -0.10 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1c89 s VAL 45 CO 0.35 -0.08 1.15 0.78 -0.31 0.00 0.00 175.10 176.98 1c89 h ASN 46 N 1.15 0.00 -4.81 4.85 -0.26 -1.91 -1.37 115.58 113.23 1c89 h ASN 46 Ca -0.43 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 54.82 1c89 h ASN 46 Cb 1.26 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.40 1c89 h ASN 46 CO 0.58 0.49 -0.46 -2.11 -1.06 0.00 0.00 177.43 174.87 1c89 n ARG 47 N -3.03 0.45 -2.38 0.81 1.85 -1.26 -4.61 116.66 108.49 1c89 n ARG 47 Ca -0.03 -3.30 -0.33 0.00 -1.00 0.00 0.00 57.85 53.18 1c89 n ARG 47 Cb 0.76 2.44 -0.02 0.00 -1.05 0.00 0.00 32.46 34.59 1c89 n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c89 s ALA 48 N -3.26 2.88 -0.07 2.89 0.00 -1.26 -4.23 121.76 118.71 1c89 s ALA 48 Ca 0.34 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1c89 s ALA 48 Cb 0.02 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1c89 s ALA 48 CO 0.24 -0.42 -0.24 0.08 0.00 0.00 0.00 175.76 175.41 1c89 s VAL 49 N -2.27 2.03 0.37 0.00 1.01 0.74 -4.94 120.40 117.34 1c89 s VAL 49 Ca 0.64 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1c89 s VAL 49 Cb -0.14 -1.74 0.09 0.00 0.00 0.00 0.00 36.38 34.59 1c89 s VAL 49 CO 0.27 0.56 0.37 -0.81 0.00 0.00 0.00 175.10 175.49 1c89 n PRO 50 N 3.19 -1.39 -2.91 2.72 -0.04 -1.26 0.75 135.00 136.05 1c89 n PRO 50 Ca -0.18 -0.58 -0.33 0.00 -0.04 0.00 0.00 63.50 62.37 1c89 n PRO 50 Cb 0.52 -0.50 -0.07 0.00 -0.04 0.00 0.00 33.50 33.42 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 4.03 -1.52 1.53 1.02 -1.26 -3.72 118.68 118.76 1c89 s LEU 51 Ca 0.23 1.58 -0.05 0.00 0.02 0.00 0.00 54.13 55.91 1c89 s LEU 51 Cb -0.02 -4.33 0.02 0.00 0.02 0.00 0.00 46.19 41.88 1c89 s LEU 51 CO 0.17 -0.27 0.60 0.61 0.02 0.00 0.00 176.35 177.48 1c89 n GLY 52 N -0.40 -0.52 3.72 -3.19 0.00 0.39 -4.94 105.19 100.27 1c89 n GLY 52 Ca 0.05 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.14 5.00 0.62 2.61 2.01 -0.41 -4.71 115.64 117.62 1c89 s THR 53 Ca 0.32 1.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.63 1c89 s THR 53 Cb -0.15 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1c89 s THR 53 CO 0.40 0.28 1.06 0.28 -0.69 0.00 0.00 174.62 175.94 1c89 s THR 54 N 0.62 3.84 -0.85 -0.82 -1.32 -1.26 0.12 115.64 115.96 1c89 s THR 54 Ca 0.37 0.80 -0.25 0.00 -1.21 0.00 0.00 61.69 61.41 1c89 s THR 54 Cb -0.18 -3.37 -0.00 0.00 -1.51 0.00 0.00 72.50 67.44 1c89 s THR 54 CO 0.19 -0.58 1.68 -0.22 -2.21 0.00 0.00 174.62 173.47 1c89 s LEU 55 N -4.76 3.29 -0.06 9.08 1.98 0.21 -4.81 118.68 123.61 1c89 s LEU 55 Ca 0.62 -0.65 -0.23 0.00 -2.89 0.00 0.00 54.13 50.98 1c89 s LEU 55 Cb -0.16 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 1c89 s LEU 55 CO 0.41 -2.17 0.70 -0.32 -1.89 0.00 0.00 176.35 173.09 1c89 s MET 56 N 6.23 4.44 0.50 1.98 1.75 -1.26 -1.52 119.30 131.41 1c89 s MET 56 Ca 0.57 0.89 0.29 0.00 -1.25 0.00 0.00 55.69 56.19 1c89 s MET 56 Cb -0.06 -3.44 0.98 0.00 2.84 0.00 0.00 34.83 35.14 1c89 s MET 56 CO 0.04 0.08 1.84 -1.00 -0.65 0.00 0.00 175.02 175.33 1c89 h PRO 57 N 6.67 0.00 0.00 4.11 0.13 -1.92 -2.93 132.00 138.06 1c89 h PRO 57 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c89 h PRO 57 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c89 h PRO 57 CO 0.75 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.74 1c89 h ASP 58 N 0.00 0.00 -0.06 1.44 3.58 -1.99 -3.13 116.42 116.26 1c89 h ASP 58 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c89 h ASP 58 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1c89 h ASP 58 CO 0.00 0.00 0.00 0.23 -2.88 0.00 0.00 179.24 176.59 1c89 n MET 59 N -2.74 2.35 -5.25 0.28 2.81 -1.11 -4.90 117.12 108.57 1c89 n MET 59 Ca 0.05 -1.96 -0.32 0.00 -1.81 0.00 0.00 57.70 53.66 1c89 n MET 59 Cb 0.48 -1.47 -0.17 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.95 2.05 0.00 2.03 1.01 -1.18 -2.76 120.40 119.59 1c89 s VAL 60 Ca 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1c89 s VAL 60 Cb 0.20 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1c89 s VAL 60 CO 0.30 0.57 0.11 0.29 0.00 0.00 0.00 175.10 176.37 1c89 n LYS 61 N 3.16 0.00 -2.19 2.72 4.76 -1.26 -4.33 118.16 121.01 1c89 n LYS 61 Ca -0.18 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.85 1c89 n LYS 61 Cb 0.52 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 62 N -0.24 7.36 0.00 4.39 2.85 -1.26 -4.89 115.26 123.46 1c89 n ASN 62 Ca 0.00 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.25 1c89 n ASN 62 Cb 0.00 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 39.67 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n TYR 63 N 1.84 0.00 -3.43 1.20 0.18 -1.26 -4.99 117.16 110.70 1c89 n TYR 63 Ca 0.55 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.33 1c89 n TYR 63 Cb 0.27 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 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 1.12 -0.80 -3.48 0.28 -1.26 -4.60 120.64 111.90 1c89 n GLU 64 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 1c89 n GLU 64 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 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 -0.97 4.85 0.25 -1.84 8.00 -1.26 -4.41 116.55 121.17 1c89 n ASP 65 Ca 0.00 -2.29 0.14 0.00 0.71 0.00 0.00 54.79 53.35 1c89 n ASP 65 Cb 0.00 -1.11 0.58 0.00 -0.02 0.00 0.00 41.12 40.57 1c89 n ASP 65 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1c89 h GLY 66 N 6.58 0.00 -1.55 0.44 0.00 -1.98 -3.43 103.07 103.12 1c89 h GLY 66 Ca 0.37 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.21 1c89 h GLY 66 CO 0.92 0.00 0.25 -0.51 0.00 0.00 0.00 176.54 177.19 1c89 s THR 67 N -3.69 4.10 0.00 4.70 -4.23 -1.26 -5.07 115.64 110.19 1c89 s THR 67 Ca 0.01 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1c89 s THR 67 Cb 0.10 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1c89 s THR 67 CO 0.59 -0.70 0.00 0.41 -0.54 0.00 0.00 174.62 174.38 1c89 n THR 68 N -2.61 0.00 -2.71 3.99 -1.04 -1.26 -4.99 114.28 105.66 1c89 n THR 68 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 1c89 n THR 68 Cb 0.56 -0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 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 -0.38 7.37 0.00 8.00 0.15 -1.26 -5.01 113.70 122.57 1c89 s SER 69 Ca 0.00 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1c89 s SER 69 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1c89 s SER 69 CO 0.00 -0.26 0.00 -0.81 1.20 0.00 0.00 173.24 173.37 1c89 n PRO 70 N 3.89 0.00 0.00 5.44 -0.04 -1.26 -4.79 135.00 138.24 1c89 n PRO 70 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1c89 n PRO 70 Cb 0.51 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 2.18 1.06 2.35 0.55 0.00 -1.26 -4.30 105.19 105.76 1c89 n GLY 71 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 6.73 -4.64 0.99 4.77 -1.26 -4.94 117.00 118.65 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 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 39.72 1c89 n LEU 72 CO 0.00 1.83 1.37 -0.54 -1.33 0.00 0.00 177.39 178.72 1c89 s LYS 73 N -0.51 3.91 0.31 3.23 1.02 -1.26 -4.39 119.74 122.05 1c89 s LYS 73 Ca 0.61 1.82 0.02 0.00 0.02 0.00 0.00 55.97 58.44 1c89 s LYS 73 Cb 0.31 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1c89 s LYS 73 CO -0.12 -1.16 0.48 0.45 -0.92 0.00 0.00 175.35 174.07 1c89 s SER 74 N 3.99 6.30 -0.05 2.83 0.15 0.13 -3.61 113.70 123.45 1c89 s SER 74 Ca 0.72 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.38 1c89 s SER 74 Cb -0.27 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1c89 s SER 74 CO 0.29 -0.21 1.06 -0.69 1.20 0.00 0.00 173.24 174.89 1c89 s VAL 75 N -2.19 4.62 -0.07 4.45 1.01 -1.03 -0.16 120.40 127.03 1c89 s VAL 75 Ca 0.38 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.29 1c89 s VAL 75 Cb -0.09 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1c89 s VAL 75 CO 0.33 0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1c89 s VAL 76 N 1.67 1.64 -0.84 2.92 1.01 -0.55 0.44 120.40 126.68 1c89 s VAL 76 Ca 0.52 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1c89 s VAL 76 Cb -0.22 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1c89 s VAL 76 CO 0.23 0.47 1.62 0.00 0.00 0.00 0.00 175.10 177.41 1c89 s ALA 77 N 0.23 2.34 0.42 5.51 0.00 0.14 0.15 121.76 130.55 1c89 s ALA 77 Ca -0.10 -1.54 0.11 0.00 0.00 0.00 0.00 51.96 50.42 1c89 s ALA 77 Cb -0.15 -4.43 0.97 0.00 0.00 0.00 0.00 23.12 19.51 1c89 s ALA 77 CO 0.05 -3.91 2.00 -0.97 0.00 0.00 0.00 175.76 172.93 1c89 h ASN 78 N 11.25 0.41 -3.42 0.00 -1.24 -1.72 -1.44 115.58 119.42 1c89 h ASN 78 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1c89 h ASN 78 Cb 1.05 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.01 1c89 h ASN 78 CO 1.30 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 177.70 1c89 n GLN 79 N -4.47 1.58 -3.87 6.67 6.02 -1.26 -3.21 117.38 118.84 1c89 n GLN 79 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 1c89 n GLN 79 Cb 0.27 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.44 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 3.99 -0.15 1.08 0.20 -1.26 -3.82 118.68 118.72 1c89 s LEU 80 Ca 0.00 0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.98 1c89 s LEU 80 Cb 0.00 -2.02 0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1c89 s LEU 80 CO 0.00 0.17 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.40 1c89 s ILE 81 N 0.42 1.97 0.59 6.68 -1.09 -0.74 -4.97 121.20 124.06 1c89 s ILE 81 Ca 0.05 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.40 1c89 s ILE 81 Cb -0.12 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1c89 s ILE 81 CO -0.00 0.53 1.07 -2.16 -1.23 0.00 0.00 174.94 173.15 1c89 s PRO 82 N 1.06 3.25 0.55 2.79 0.04 -1.26 -0.09 135.00 141.34 1c89 s PRO 82 Ca -0.02 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 1c89 s PRO 82 Cb -0.14 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1c89 s PRO 82 CO -0.07 -0.88 0.09 -0.89 0.04 0.00 0.00 177.00 175.30 1c89 n ILE 83 N -1.93 0.81 -3.35 0.56 5.41 -1.25 -3.27 119.36 116.33 1c89 n ILE 83 Ca 0.09 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.22 1c89 n ILE 83 Cb 0.52 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 1.77 -6.54 -3.50 4.38 3.02 0.04 -4.96 115.26 109.46 1c89 n ASN 84 Ca 0.09 -0.37 -0.22 0.00 -0.03 0.00 0.00 54.58 54.05 1c89 n ASN 84 Cb 0.48 -3.70 -0.13 0.00 -0.61 0.00 0.00 39.78 35.81 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 -2.87 -0.25 -0.75 3.41 2.01 -1.20 -4.83 115.64 111.16 1c89 s THR 85 Ca 0.04 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 1c89 s THR 85 Cb -0.01 -0.79 -0.16 0.00 0.01 0.00 0.00 72.50 71.55 1c89 s THR 85 CO 0.82 -0.39 2.44 0.00 -0.69 0.00 0.00 174.62 176.80 1c89 n ALA 86 N 5.30 0.61 -2.22 7.40 0.00 -1.25 -3.88 120.51 126.46 1c89 n ALA 86 Ca -0.05 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.12 1c89 n ALA 86 Cb 0.47 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 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 10.47 4.43 0.00 0.00 2.34 -0.56 -4.71 118.68 130.65 1c89 s LEU 87 Ca 1.10 1.29 0.01 0.00 0.06 0.00 0.00 54.13 56.59 1c89 s LEU 87 Cb -0.50 -3.23 -0.00 0.00 -0.56 0.00 0.00 46.19 41.90 1c89 s LEU 87 CO 0.31 0.15 0.03 0.35 -1.06 0.00 0.00 176.35 176.13 1c89 n THR 88 N 1.17 0.00 0.09 5.48 -2.24 -1.26 0.19 114.28 117.71 1c89 n THR 88 Ca -0.06 -2.12 0.19 0.00 -2.27 0.00 0.00 64.05 59.79 1c89 n THR 88 Cb 0.51 0.51 0.74 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.32 3.22 -0.00 -1.93 -1.96 115.31 114.96 1c89 h LEU 89 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 1c89 h LEU 89 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 1c89 h LEU 89 CO 0.58 0.00 -0.42 -0.37 -0.00 0.00 0.00 178.44 178.23 1c89 h VAL 90 N 0.00 0.00 -0.06 0.15 -1.51 -2.01 -1.39 116.25 111.42 1c89 h VAL 90 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1c89 h VAL 90 Cb 0.88 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.57 1c89 n MET 91 N -4.93 1.21 -4.14 5.19 2.81 -1.02 -4.76 117.12 111.50 1c89 n MET 91 Ca -0.09 -0.32 -0.34 0.00 -1.81 0.00 0.00 57.70 55.14 1c89 n MET 91 Cb 0.37 -1.25 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.92 3.85 -0.49 0.03 -2.45 -0.52 -2.39 119.30 115.40 1c89 s MET 92 Ca 0.23 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.29 1c89 s MET 92 Cb 0.11 -3.11 0.13 0.00 1.25 0.00 0.00 34.83 33.21 1c89 s MET 92 CO 0.18 0.24 0.24 0.15 1.05 0.00 0.00 175.02 176.88 1c89 s LYS 93 N 0.42 1.79 -0.81 4.11 1.02 0.12 -4.78 119.74 121.61 1c89 s LYS 93 Ca 0.01 -2.44 -0.25 0.00 0.02 0.00 0.00 55.97 53.30 1c89 s LYS 93 Cb -0.13 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1c89 s LYS 93 CO 0.01 -1.11 1.92 0.00 -0.92 0.00 0.00 175.35 175.25 1c89 s ALA 94 N -0.08 1.83 0.24 5.17 0.00 -1.26 -1.48 121.76 126.19 1c89 s ALA 94 Ca 0.17 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1c89 s ALA 94 Cb -0.25 -4.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.34 1c89 s ALA 94 CO -0.01 -4.52 -0.17 -2.00 0.00 0.00 0.00 175.76 169.06 1c89 s GLU 95 N 7.00 1.49 -0.83 0.00 2.12 0.77 -4.66 118.70 124.59 1c89 s GLU 95 Ca 0.69 -1.66 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 1c89 s GLU 95 Cb -0.08 -1.45 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 1c89 s GLU 95 CO 0.06 0.26 1.75 -2.00 -0.54 0.00 0.00 175.26 174.79 1c89 s GLU 96 N -3.50 2.84 0.11 4.30 -6.30 -1.26 0.22 118.70 115.11 1c89 s GLU 96 Ca 0.25 -0.20 -0.01 0.00 -2.50 0.00 0.00 54.97 52.52 1c89 s GLU 96 Cb -0.03 -4.84 -0.04 0.00 0.00 0.00 0.00 34.13 29.22 1c89 s GLU 96 CO 0.11 -2.85 0.03 0.54 0.02 0.00 0.00 175.26 173.11 1c89 s VAL 97 N 8.36 0.16 0.18 3.70 0.11 -1.26 -4.90 120.40 126.76 1c89 s VAL 97 Ca 0.61 -1.89 0.07 0.00 -2.93 0.00 0.00 61.98 57.84 1c89 s VAL 97 Cb -0.07 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1c89 s VAL 97 CO 0.05 -0.61 0.05 -0.44 -3.33 0.00 0.00 175.10 170.82 1c89 s SER 98 N -3.02 5.00 1.04 3.54 0.01 -1.26 -4.17 113.70 114.83 1c89 s SER 98 Ca 0.19 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 1c89 s SER 98 Cb 0.08 -1.14 0.22 0.00 0.21 0.00 0.00 66.02 65.38 1c89 s SER 98 CO -0.01 0.07 1.21 -2.16 0.41 0.00 0.00 173.24 172.76 1c89 s PRO 99 N -3.10 0.09 -1.17 12.44 0.04 -1.26 -4.90 135.00 137.14 1c89 s PRO 99 Ca 0.29 -0.15 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1c89 s PRO 99 Cb -0.09 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.88 1c89 s PRO 99 CO 0.20 -2.82 1.34 -1.59 0.04 0.00 0.00 177.00 174.17 1c89 s LYS 100 N -5.61 4.09 0.00 4.56 0.00 -1.26 -4.91 119.74 116.62 1c89 s LYS 100 Ca 0.71 -2.69 0.00 0.00 0.00 0.00 0.00 55.97 53.98 1c89 s LYS 100 Cb -0.08 -4.93 0.00 0.00 0.00 0.00 0.00 37.83 32.82 1c89 s LYS 100 CO 0.54 -1.64 0.00 0.41 0.00 0.00 0.00 175.35 174.66 1c89 n GLY 101 N 3.84 0.15 3.37 0.59 0.00 -1.25 -4.86 105.19 107.04 1c89 n GLY 101 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 3.82 1.02 -0.61 1.01 -0.91 -4.85 121.20 120.68 1c89 s ILE 102 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 1c89 s ILE 102 Cb 0.00 -2.78 0.20 0.00 0.01 0.00 0.00 42.46 39.89 1c89 s ILE 102 CO 0.00 0.35 1.14 -2.16 0.00 0.00 0.00 174.94 174.28 1c89 s PRO 103 N 1.54 0.21 -0.29 2.79 0.04 -1.26 -2.48 135.00 135.55 1c89 s PRO 103 Ca 0.06 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.17 1c89 s PRO 103 Cb -0.15 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.48 1c89 s PRO 103 CO 0.00 -2.80 3.34 0.43 0.04 0.00 0.00 177.00 178.02 1c89 n SER 104 N -4.15 5.92 0.00 6.66 7.64 -1.24 -4.57 113.62 123.88 1c89 n SER 104 Ca 0.09 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1c89 n SER 104 Cb 0.59 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1c89 n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1c89 n GLU 105 N 2.22 0.00 -0.62 1.43 -0.58 -1.26 -4.38 120.64 117.45 1c89 n GLU 105 Ca 0.48 0.27 0.07 0.00 -0.42 0.00 0.00 57.16 57.56 1c89 n GLU 105 Cb 0.76 -0.77 0.32 0.00 -0.57 0.00 0.00 31.44 31.18 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 -1.38 3.69 -0.17 3.49 -0.58 -1.26 -4.41 120.64 120.02 1c89 n GLU 106 Ca 0.00 -2.48 0.05 0.00 -0.42 0.00 0.00 57.16 54.31 1c89 n GLU 106 Cb 0.00 -1.94 0.35 0.00 -0.57 0.00 0.00 31.44 29.28 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 3.38 1.05 -0.22 -3.67 6.09 -1.82 -0.40 117.51 121.92 1c89 h ILE 107 Ca 0.00 -0.26 0.06 0.00 -1.37 0.00 0.00 64.86 63.29 1c89 h ILE 107 Cb 1.46 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1c89 h ILE 107 CO 0.29 0.14 0.21 -1.28 -3.07 0.00 0.00 178.15 174.43 1c89 h SER 108 N 0.76 0.00 0.43 2.19 0.87 -1.87 0.43 113.55 116.36 1c89 h SER 108 Ca 0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1c89 h SER 108 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1c89 h SER 108 CO -0.09 0.00 -1.65 0.29 -0.53 0.00 0.00 176.83 174.85 1c89 n LYS 109 N -3.98 0.64 -0.29 2.24 4.01 -0.23 -4.09 118.16 116.47 1c89 n LYS 109 Ca 0.02 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.94 1c89 n LYS 109 Cb 0.34 -1.67 0.27 0.00 -0.51 0.00 0.00 35.03 33.46 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c89 n LEU 110 N -2.57 3.65 -4.75 -0.35 4.77 -0.29 -4.97 117.00 112.49 1c89 n LEU 110 Ca -0.08 -1.85 -0.41 0.00 -0.03 0.00 0.00 56.01 53.64 1c89 n LEU 110 Cb 0.70 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1c89 n LEU 110 CO 0.43 0.88 1.16 -0.69 -1.33 0.00 0.00 177.39 177.84 1c89 s VAL 111 N -1.12 2.36 -0.02 4.08 1.01 0.14 -1.72 120.40 125.12 1c89 s VAL 111 Ca 0.42 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1c89 s VAL 111 Cb 0.23 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1c89 s VAL 111 CO 0.30 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1c89 n GLY 112 N 1.92 0.46 3.80 4.51 0.00 0.51 -4.90 105.19 111.49 1c89 n GLY 112 Ca 0.06 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.86 4.03 -0.04 1.61 0.00 -0.70 -4.25 119.30 119.09 1c89 s MET 113 Ca 0.00 1.32 -0.23 0.00 0.00 0.00 0.00 55.69 56.78 1c89 s MET 113 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 34.83 32.55 1c89 s MET 113 CO 0.00 -0.23 0.69 -0.65 0.00 0.00 0.00 175.02 174.83 1c89 s GLN 114 N -3.03 4.43 0.43 3.16 -0.21 -1.26 -1.50 119.66 121.68 1c89 s GLN 114 Ca 0.63 0.89 -0.08 0.00 0.02 0.00 0.00 55.36 56.82 1c89 s GLN 114 Cb -0.15 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 1c89 s GLN 114 CO 0.19 0.15 0.76 0.54 -2.12 0.00 0.00 175.29 174.81 1c89 s VAL 115 N 0.50 4.85 -1.74 1.09 0.11 -1.25 -4.81 120.40 119.16 1c89 s VAL 115 Ca 0.37 0.42 0.22 0.00 -2.93 0.00 0.00 61.98 60.06 1c89 s VAL 115 Cb -0.18 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.81 1c89 s VAL 115 CO 0.19 -0.64 1.03 -3.20 -3.33 0.00 0.00 175.10 169.15 1c89 n ASN 116 N -1.65 1.74 -4.55 3.54 5.15 -1.26 -0.78 115.26 117.44 1c89 n ASN 116 Ca 0.01 -1.37 -0.28 0.00 -0.60 0.00 0.00 54.58 52.34 1c89 n ASN 116 Cb 0.54 0.62 -0.09 0.00 -0.53 0.00 0.00 39.78 40.32 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 117 N -2.59 1.97 0.37 1.20 1.81 -1.26 -4.63 118.95 115.83 1c89 s ARG 117 Ca 0.15 -2.18 -0.13 0.00 -1.72 0.00 0.00 55.73 51.86 1c89 s ARG 117 Cb 0.17 -1.29 -0.08 0.00 -0.45 0.00 0.00 34.95 33.30 1c89 s ARG 117 CO 0.64 -0.24 0.77 0.00 -0.68 0.00 0.00 175.30 175.78 1c89 s ALA 118 N -2.96 3.32 -0.02 2.13 0.00 -1.26 -3.79 121.76 119.18 1c89 s ALA 118 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1c89 s ALA 118 Cb 0.06 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 1c89 s ALA 118 CO 0.12 0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.99 1c89 s VAL 119 N -2.20 0.91 0.00 0.00 1.01 0.87 -4.87 120.40 116.11 1c89 s VAL 119 Ca 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1c89 s VAL 119 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1c89 s VAL 119 CO 0.25 0.27 0.00 -1.22 0.00 0.00 0.00 175.10 174.40 1c89 n TYR 120 N 3.17 -2.24 0.00 5.22 4.02 -1.26 -1.80 117.16 124.26 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1c89 n TYR 120 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1c89 n LEU 121 N 0.00 0.00 -4.30 7.72 -0.00 -1.25 -4.07 117.00 115.10 1c89 n LEU 121 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1c89 n LEU 121 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1c89 n LEU 121 CO 0.00 0.00 1.40 0.47 -0.00 0.00 0.00 177.39 179.26 1c89 n ASP 122 N 0.00 -1.01 -4.45 1.96 8.00 -0.58 -4.56 116.55 115.91 1c89 n ASP 122 Ca 0.00 -1.27 -0.27 0.00 0.71 0.00 0.00 54.79 53.96 1c89 n ASP 122 Cb 0.00 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 40.16 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c89 s GLN 123 N 6.53 1.61 0.36 -1.24 0.74 -0.98 -4.36 119.66 122.32 1c89 s GLN 123 Ca 0.65 -1.44 -0.25 0.00 0.05 0.00 0.00 55.36 54.37 1c89 s GLN 123 Cb -0.31 -1.92 -0.10 0.00 1.10 0.00 0.00 33.01 31.78 1c89 s GLN 123 CO 0.23 0.42 0.97 0.99 -0.55 0.00 0.00 175.29 177.34 1c89 s THR 124 N -1.58 4.13 -0.03 -0.34 2.01 -1.26 0.23 115.64 118.80 1c89 s THR 124 Ca 0.20 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 1c89 s THR 124 Cb -0.08 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1c89 s THR 124 CO 0.10 0.02 1.14 -0.22 -0.69 0.00 0.00 174.62 174.97 1c89 s LEU 125 N -2.42 4.30 -0.01 4.42 2.96 0.17 -4.83 118.68 123.27 1c89 s LEU 125 Ca 0.54 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 56.31 1c89 s LEU 125 Cb -0.17 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1c89 s LEU 125 CO 0.22 -0.50 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.50 1c89 s MET 126 N 1.79 1.72 0.41 1.98 -1.94 -1.26 -2.14 119.30 119.86 1c89 s MET 126 Ca 0.55 -0.82 0.28 0.00 -1.71 0.00 0.00 55.69 53.99 1c89 s MET 126 Cb -0.24 -1.69 0.97 0.00 2.01 0.00 0.00 34.83 35.88 1c89 s MET 126 CO 0.24 0.46 1.81 -1.00 -0.01 0.00 0.00 175.02 176.51 1c89 h PRO 127 N 5.46 0.00 0.00 2.03 0.13 -1.90 -2.94 132.00 134.78 1c89 h PRO 127 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c89 h PRO 127 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1c89 h PRO 127 CO 0.47 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.62 1c89 h ASP 128 N 0.00 0.00 0.00 1.44 3.04 -2.01 -3.25 116.42 115.65 1c89 h ASP 128 Ca 0.00 0.00 -0.43 0.00 -3.24 0.00 0.00 57.03 53.36 1c89 h ASP 128 Cb 0.62 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.84 1c89 h ASP 128 CO 0.00 0.00 -2.43 0.23 -2.04 0.00 0.00 179.24 175.00 1c89 n MET 129 N -2.36 0.61 -2.25 4.15 2.81 -1.11 -4.82 117.12 114.14 1c89 n MET 129 Ca 0.02 0.26 -0.41 0.00 -1.81 0.00 0.00 57.70 55.76 1c89 n MET 129 Cb 0.25 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.50 3.60 -1.78 2.03 1.01 -1.22 -4.18 120.40 117.37 1c89 s VAL 130 Ca -0.37 0.46 0.31 0.00 0.00 0.00 0.00 61.98 62.39 1c89 s VAL 130 Cb 0.13 -4.25 0.74 0.00 0.00 0.00 0.00 36.38 33.00 1c89 s VAL 130 CO 0.53 -1.09 2.14 0.29 0.00 0.00 0.00 175.10 176.97 1c89 n LYS 131 N 8.90 0.79 -0.06 2.72 4.76 -1.26 -3.02 118.16 130.98 1c89 n LYS 131 Ca 0.15 -0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.64 1c89 n LYS 131 Cb 0.50 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 32.29 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c89 n ASN 132 N -1.08 2.54 -4.77 4.39 4.13 -1.26 -4.99 115.26 114.21 1c89 n ASN 132 Ca 0.20 -1.73 -0.41 0.00 1.68 0.00 0.00 54.58 54.32 1c89 n ASN 132 Cb 0.17 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1c89 s TYR 133 N -1.21 2.86 -2.97 3.10 5.04 -1.17 -5.16 117.35 117.85 1c89 s TYR 133 Ca 0.22 1.32 0.24 0.00 -2.44 0.00 0.00 57.07 56.41 1c89 s TYR 133 Cb 0.14 -3.81 0.24 0.00 0.35 0.00 0.00 41.96 38.88 1c89 s TYR 133 CO 0.20 -2.31 1.29 0.39 -1.34 0.00 0.00 175.55 173.78