#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 n LYS 2 N 0.00 -2.01 -2.60 1.20 0.00 -1.26 -4.99 118.16 108.50 1c89 n LYS 2 Ca 0.00 -1.85 -0.40 0.00 -0.00 0.00 0.00 58.31 56.06 1c89 n LYS 2 Cb 0.00 -1.42 -0.05 0.00 -0.00 0.00 0.00 35.03 33.56 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c89 s ALA 3 N -3.57 3.36 0.15 0.58 0.00 -1.26 -4.65 121.76 116.37 1c89 s ALA 3 Ca 0.71 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1c89 s ALA 3 Cb -0.04 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1c89 s ALA 3 CO 0.51 -0.00 0.30 0.45 0.00 0.00 0.00 175.76 177.02 1c89 s SER 4 N -1.05 6.36 -0.83 0.00 0.15 0.24 -3.52 113.70 115.04 1c89 s SER 4 Ca 0.44 0.25 -0.24 0.00 0.70 0.00 0.00 55.95 57.10 1c89 s SER 4 Cb -0.29 -1.95 0.05 0.00 -1.71 0.00 0.00 66.02 62.13 1c89 s SER 4 CO 0.36 0.04 1.28 -0.69 1.20 0.00 0.00 173.24 175.43 1c89 s VAL 5 N -1.74 3.96 -0.25 4.45 1.01 -0.69 -1.80 120.40 125.34 1c89 s VAL 5 Ca 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1c89 s VAL 5 Cb -0.11 -4.92 0.01 0.00 0.00 0.00 0.00 36.38 31.36 1c89 s VAL 5 CO 0.28 -1.80 -0.02 -0.69 0.00 0.00 0.00 175.10 172.87 1c89 s VAL 6 N 4.99 3.32 0.19 2.92 1.01 0.16 -1.21 120.40 131.79 1c89 s VAL 6 Ca 0.36 -0.73 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 1c89 s VAL 6 Cb -0.06 -2.62 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1c89 s VAL 6 CO 0.04 0.27 1.75 0.00 0.00 0.00 0.00 175.10 177.17 1c89 s ALA 7 N 1.43 3.90 -0.03 5.51 0.00 0.35 -2.46 121.76 130.46 1c89 s ALA 7 Ca 0.03 1.56 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 1c89 s ALA 7 Cb -0.16 -3.72 -0.32 0.00 0.00 0.00 0.00 23.12 18.93 1c89 s ALA 7 CO -0.03 -1.01 0.81 -2.95 0.00 0.00 0.00 175.76 172.58 1c89 h ASN 8 N 7.29 0.64 -2.12 0.00 -1.07 -1.87 0.64 115.58 119.09 1c89 h ASN 8 Ca -0.44 -0.92 -0.47 0.00 0.07 0.00 0.00 56.30 54.54 1c89 h ASN 8 Cb 1.21 -0.21 0.08 0.00 -2.07 0.00 0.00 38.32 37.33 1c89 h ASN 8 CO 0.96 1.67 0.10 0.00 0.07 0.00 0.00 177.43 180.23 1c89 s GLN 9 N -2.54 1.68 0.06 4.14 -2.07 -1.26 -2.57 119.66 117.09 1c89 s GLN 9 Ca -0.14 -1.13 -0.18 0.00 -1.82 0.00 0.00 55.36 52.09 1c89 s GLN 9 Cb 0.04 -2.33 -0.06 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.87 -1.45 0.54 -1.17 -1.32 0.00 0.00 175.29 172.76 1c89 s LEU 10 N -5.14 4.52 -0.06 2.60 0.20 -1.26 -4.22 118.68 115.33 1c89 s LEU 10 Ca 0.66 1.20 0.06 0.00 0.69 0.00 0.00 54.13 56.75 1c89 s LEU 10 Cb -0.05 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.85 1c89 s LEU 10 CO 0.44 0.28 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.90 1c89 s ILE 11 N -1.11 2.05 0.00 6.68 1.01 0.19 -4.95 121.20 125.06 1c89 s ILE 11 Ca 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1c89 s ILE 11 Cb -0.19 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1c89 s ILE 11 CO 0.18 0.57 0.00 -0.81 0.00 0.00 0.00 174.94 174.88 1c89 n PRO 12 N 2.93 0.94 -2.78 2.79 -0.04 -1.26 0.21 135.00 137.79 1c89 n PRO 12 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 1c89 n PRO 12 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.03 4.86 -0.73 0.52 -1.09 -1.26 -4.19 121.20 119.27 1c89 s ILE 13 Ca 0.00 0.40 -0.09 0.00 -2.23 0.00 0.00 60.65 58.73 1c89 s ILE 13 Cb 0.00 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1c89 s ILE 13 CO 0.00 -0.66 0.62 0.59 -1.23 0.00 0.00 174.94 174.27 1c89 n ASN 14 N -1.71 -5.32 -3.71 3.58 3.02 -0.76 -4.90 115.26 105.48 1c89 n ASN 14 Ca 0.01 -0.68 -0.26 0.00 -0.03 0.00 0.00 54.58 53.63 1c89 n ASN 14 Cb 0.54 -2.06 -0.17 0.00 -0.61 0.00 0.00 39.78 37.48 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 15 N -2.64 0.33 -0.52 3.41 2.01 -1.26 -4.82 115.64 112.14 1c89 s THR 15 Ca 0.09 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 1c89 s THR 15 Cb -0.01 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1c89 s THR 15 CO 0.88 -0.12 2.13 0.00 -0.69 0.00 0.00 174.62 176.82 1c89 s ALA 16 N 1.96 1.99 0.51 7.40 0.00 -1.25 -4.02 121.76 128.35 1c89 s ALA 16 Ca 0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1c89 s ALA 16 Cb -0.16 -4.29 -0.14 0.00 0.00 0.00 0.00 23.12 18.53 1c89 s ALA 16 CO -0.07 -4.03 0.00 1.28 0.00 0.00 0.00 175.76 172.94 1c89 n LEU 17 N 14.01 -2.85 -4.69 0.00 4.77 -0.99 -4.17 117.00 123.07 1c89 n LEU 17 Ca 0.29 0.68 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 1c89 n LEU 17 Cb 0.53 -0.91 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1c89 n LEU 17 CO 0.71 -4.45 -0.27 0.42 -1.33 0.00 0.00 177.39 172.47 1c89 s THR 18 N -1.93 1.44 0.18 -5.08 -4.23 -1.26 0.25 115.64 105.00 1c89 s THR 18 Ca 0.59 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.02 1c89 s THR 18 Cb -0.50 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1c89 s THR 18 CO 0.64 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 176.22 1c89 h LEU 19 N 1.54 0.92 -0.77 4.79 3.38 -1.94 -1.27 115.31 121.96 1c89 h LEU 19 Ca -0.44 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.05 1c89 h LEU 19 Cb 1.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1c89 h LEU 19 CO 0.76 1.12 -0.57 0.40 0.09 0.00 0.00 178.44 180.23 1c89 h ILE 20 N 0.77 1.39 -0.01 1.22 5.03 -2.02 -2.81 117.51 121.08 1c89 h ILE 20 Ca 0.10 -1.93 0.00 0.00 -0.12 0.00 0.00 64.86 62.91 1c89 h ILE 20 Cb 0.80 2.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.58 1c89 h ILE 20 CO 0.07 0.56 -0.22 0.80 -0.68 0.00 0.00 178.15 178.68 1c89 n MET 21 N -3.88 0.70 -3.65 2.37 0.00 -1.14 -4.77 117.12 106.75 1c89 n MET 21 Ca -0.02 -0.36 -0.38 0.00 -0.00 0.00 0.00 57.70 56.95 1c89 n MET 21 Cb 0.59 -1.49 -0.12 0.00 0.00 0.00 0.00 33.22 32.20 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1c89 s MET 22 N -2.54 3.72 -0.28 2.12 0.00 -0.49 -3.23 119.30 118.58 1c89 s MET 22 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 55.69 55.42 1c89 s MET 22 Cb 0.19 -3.55 0.02 0.00 0.00 0.00 0.00 34.83 31.50 1c89 s MET 22 CO 0.52 -0.24 0.03 0.15 0.00 0.00 0.00 175.02 175.47 1c89 s LYS 23 N 1.69 2.92 -1.29 4.11 1.02 -1.03 -4.89 119.74 122.26 1c89 s LYS 23 Ca 0.06 -0.95 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1c89 s LYS 23 Cb -0.16 -3.23 0.13 0.00 -0.52 0.00 0.00 37.83 34.04 1c89 s LYS 23 CO 0.08 -0.46 1.77 0.00 -0.92 0.00 0.00 175.35 175.82 1c89 n ALA 24 N 4.78 4.55 -2.87 5.17 0.00 -1.26 -0.66 120.51 130.22 1c89 n ALA 24 Ca -0.15 -4.13 -0.29 0.00 0.00 0.00 0.00 53.44 48.88 1c89 n ALA 24 Cb 0.47 -3.23 -0.05 0.00 0.00 0.00 0.00 19.45 16.65 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 2.02 3.20 -1.23 0.00 2.12 -0.75 -4.60 118.70 119.46 1c89 s GLU 25 Ca 0.45 -0.63 -0.14 0.00 0.36 0.00 0.00 54.97 55.01 1c89 s GLU 25 Cb 0.05 -2.87 0.15 0.00 0.26 0.00 0.00 34.13 31.73 1c89 s GLU 25 CO 0.00 0.55 1.52 0.28 -0.54 0.00 0.00 175.26 177.07 1c89 n VAL 26 N -0.02 4.19 -4.14 3.70 0.31 -1.26 0.80 118.33 121.91 1c89 n VAL 26 Ca -0.07 -4.59 -0.10 0.00 -0.01 0.00 0.00 64.34 59.57 1c89 n VAL 26 Cb 0.53 -2.44 -0.10 0.00 -0.91 0.00 0.00 33.84 30.92 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 2.03 0.09 0.56 2.52 -7.23 -1.26 -4.93 120.40 112.18 1c89 s VAL 27 Ca 0.45 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1c89 s VAL 27 Cb -0.01 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1c89 s VAL 27 CO 0.02 -0.40 0.84 0.42 -0.31 0.00 0.00 175.10 175.66 1c89 s THR 28 N -4.05 3.49 0.83 5.32 -4.23 -1.26 -4.43 115.64 111.30 1c89 s THR 28 Ca 0.25 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1c89 s THR 28 Cb 0.07 -3.36 0.09 0.00 1.34 0.00 0.00 72.50 70.64 1c89 s THR 28 CO 0.03 -0.33 1.10 -2.16 -0.54 0.00 0.00 174.62 172.72 1c89 s PRO 29 N -4.87 1.85 -0.66 3.99 0.04 -1.26 -4.96 135.00 129.12 1c89 s PRO 29 Ca 0.53 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 1c89 s PRO 29 Cb -0.10 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1c89 s PRO 29 CO 0.42 -1.78 1.86 -1.33 0.04 0.00 0.00 177.00 176.22 1c89 n MET 30 N -3.54 1.38 0.00 4.56 2.81 -1.26 -4.88 117.12 116.19 1c89 n MET 30 Ca 0.07 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 1c89 n MET 30 Cb 0.56 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 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 -2.76 3.76 3.03 0.00 -1.26 -4.89 105.19 107.38 1c89 n GLY 31 Ca 0.44 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.09 3.03 0.90 -0.61 1.01 -1.01 -4.84 121.20 119.59 1c89 s ILE 32 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 60.65 61.51 1c89 s ILE 32 Cb 0.00 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.98 1c89 s ILE 32 CO 0.00 0.21 1.11 -2.16 0.00 0.00 0.00 174.94 174.10 1c89 s PRO 33 N -1.30 1.23 -0.41 2.79 0.04 -1.26 -1.71 135.00 134.39 1c89 s PRO 33 Ca 0.50 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1c89 s PRO 33 Cb -0.37 -1.83 0.38 0.00 0.04 0.00 0.00 34.50 32.72 1c89 s PRO 33 CO 0.46 -2.18 1.88 0.00 0.04 0.00 0.00 177.00 177.20 1c89 n ALA 34 N -3.80 5.27 0.03 8.56 0.00 -1.23 -4.53 120.51 124.81 1c89 n ALA 34 Ca 0.06 -2.29 -0.13 0.00 0.00 0.00 0.00 53.44 51.09 1c89 n ALA 34 Cb 0.57 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 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 1.31 -0.07 -1.00 0.00 4.81 -1.92 -3.01 114.58 114.71 1c89 h GLU 35 Ca 0.44 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.29 1c89 h GLU 35 Cb 1.43 0.02 -0.23 0.00 0.63 0.00 0.00 28.75 30.60 1c89 h GLU 35 CO 0.99 0.27 0.49 0.39 -0.73 0.00 0.00 179.01 180.42 1c89 n GLU 36 N -4.96 1.92 -0.37 1.92 -0.58 -1.26 -4.66 120.64 112.64 1c89 n GLU 36 Ca -0.08 -2.21 -0.01 0.00 -0.42 0.00 0.00 57.16 54.44 1c89 n GLU 36 Cb 0.20 -1.86 0.04 0.00 -0.57 0.00 0.00 31.44 29.24 1c89 n GLU 36 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1c89 n ILE 37 N -0.70 -0.51 0.46 -3.67 2.08 -1.14 0.27 119.36 116.14 1c89 n ILE 37 Ca 0.44 2.27 0.11 0.00 0.56 0.00 0.00 62.75 66.13 1c89 n ILE 37 Cb 1.35 -3.00 0.45 0.00 -0.75 0.00 0.00 39.64 37.69 1c89 n ILE 37 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1c89 n PRO 38 N -5.43 0.15 -0.09 0.38 -0.04 -1.26 -0.35 135.00 128.36 1c89 n PRO 38 Ca 0.10 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1c89 n PRO 38 Cb 0.39 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 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 -2.05 1.64 0.01 3.54 5.03 0.67 -4.57 115.26 119.53 1c89 n ASN 39 Ca 0.03 -0.04 -0.00 0.00 0.87 0.00 0.00 54.58 55.43 1c89 n ASN 39 Cb 0.24 0.40 -0.10 0.00 -1.02 0.00 0.00 39.78 39.30 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1c89 n LEU 40 N -2.79 0.69 -4.24 3.41 0.00 0.75 -4.82 117.00 109.99 1c89 n LEU 40 Ca -0.30 0.30 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 1c89 n LEU 40 Cb 0.96 0.11 0.07 0.00 0.00 0.00 0.00 43.42 44.56 1c89 n LEU 40 CO 0.28 0.17 -0.61 0.52 0.00 0.00 0.00 177.39 177.75 1c89 n VAL 41 N -2.82 0.36 -0.91 1.96 0.31 0.52 -1.52 118.33 116.23 1c89 n VAL 41 Ca -0.12 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1c89 n VAL 41 Cb 0.85 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 2.42 0.54 3.70 2.92 0.00 0.69 -4.82 105.19 110.63 1c89 n GLY 42 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.44 4.29 0.46 1.61 0.00 -0.57 -3.90 119.30 120.74 1c89 s MET 43 Ca 0.00 2.05 -0.20 0.00 0.00 0.00 0.00 55.69 57.55 1c89 s MET 43 Cb 0.00 -3.45 -0.10 0.00 0.00 0.00 0.00 34.83 31.28 1c89 s MET 43 CO 0.00 -0.54 0.97 -0.65 0.00 0.00 0.00 175.02 174.80 1c89 s GLN 44 N 1.91 4.13 0.39 3.16 -1.52 -1.26 -2.36 119.66 124.11 1c89 s GLN 44 Ca 0.65 1.10 0.08 0.00 -1.95 0.00 0.00 55.36 55.24 1c89 s GLN 44 Cb -0.35 -2.16 -0.02 0.00 -0.22 0.00 0.00 33.01 30.26 1c89 s GLN 44 CO 0.29 -0.12 0.37 0.14 -0.25 0.00 0.00 175.29 175.71 1c89 s VAL 45 N -2.28 2.95 -0.55 1.09 -7.23 -1.26 -4.14 120.40 108.99 1c89 s VAL 45 Ca 0.62 -1.33 0.21 0.00 -1.81 0.00 0.00 61.98 59.67 1c89 s VAL 45 Cb -0.10 -3.06 -0.28 0.00 0.56 0.00 0.00 36.38 33.51 1c89 s VAL 45 CO 0.18 -0.05 0.70 0.59 -0.31 0.00 0.00 175.10 176.21 1c89 n ASN 46 N -1.52 0.55 -3.51 4.85 4.13 -1.09 -1.82 115.26 116.86 1c89 n ASN 46 Ca 0.02 -0.54 -0.22 0.00 1.68 0.00 0.00 54.58 55.53 1c89 n ASN 46 Cb 0.61 1.46 -0.07 0.00 -1.54 0.00 0.00 39.78 40.24 1c89 n ASN 46 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1c89 n ARG 47 N -1.85 0.51 -2.39 3.52 1.85 -1.26 -4.77 116.66 112.28 1c89 n ARG 47 Ca 0.00 -3.22 -0.33 0.00 -1.00 0.00 0.00 57.85 53.30 1c89 n ARG 47 Cb 0.44 2.08 -0.02 0.00 -1.05 0.00 0.00 32.46 33.90 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 -3.13 2.87 -0.18 2.89 0.00 -1.26 -4.27 121.76 118.68 1c89 s ALA 48 Ca 0.26 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1c89 s ALA 48 Cb 0.01 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1c89 s ALA 48 CO 0.19 -0.42 -0.19 0.08 0.00 0.00 0.00 175.76 175.42 1c89 s VAL 49 N -2.24 2.19 0.91 0.00 1.01 0.57 -4.96 120.40 117.88 1c89 s VAL 49 Ca 0.64 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1c89 s VAL 49 Cb -0.15 -1.92 0.22 0.00 0.00 0.00 0.00 36.38 34.53 1c89 s VAL 49 CO 0.26 0.53 0.90 -0.81 0.00 0.00 0.00 175.10 175.98 1c89 n PRO 50 N 4.57 -2.28 -2.57 2.72 -0.04 -1.26 0.53 135.00 136.66 1c89 n PRO 50 Ca -0.21 -1.42 -0.41 0.00 -0.04 0.00 0.00 63.50 61.43 1c89 n PRO 50 Cb 0.50 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 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 4.54 -0.97 1.53 1.02 -1.26 -3.38 118.68 120.15 1c89 s LEU 51 Ca 0.56 2.08 -0.05 0.00 0.02 0.00 0.00 54.13 56.74 1c89 s LEU 51 Cb -0.04 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.56 1c89 s LEU 51 CO 0.42 -0.11 0.63 0.61 0.02 0.00 0.00 176.35 177.92 1c89 n GLY 52 N 1.76 -0.09 3.65 -3.19 0.00 0.21 -4.96 105.19 102.56 1c89 n GLY 52 Ca 0.01 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.11 4.90 0.80 2.61 2.01 -0.56 -4.74 115.64 117.57 1c89 s THR 53 Ca 0.31 1.42 -0.11 0.00 0.31 0.00 0.00 61.69 63.63 1c89 s THR 53 Cb -0.14 -4.05 0.08 0.00 0.01 0.00 0.00 72.50 68.40 1c89 s THR 53 CO 0.39 -0.01 1.10 0.28 -0.69 0.00 0.00 174.62 175.69 1c89 s THR 54 N 2.52 3.09 -0.62 -0.82 -1.32 -1.26 -0.49 115.64 116.73 1c89 s THR 54 Ca 0.33 0.35 -0.27 0.00 -1.21 0.00 0.00 61.69 60.89 1c89 s THR 54 Cb -0.16 -2.77 -0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1c89 s THR 54 CO 0.09 -0.46 1.61 -0.22 -2.21 0.00 0.00 174.62 173.43 1c89 s LEU 55 N -6.05 3.29 -0.17 9.08 1.98 -0.35 -4.82 118.68 121.64 1c89 s LEU 55 Ca 0.62 0.17 -0.13 0.00 -2.89 0.00 0.00 54.13 51.91 1c89 s LEU 55 Cb -0.18 -2.70 -0.05 0.00 0.66 0.00 0.00 46.19 43.92 1c89 s LEU 55 CO 0.56 -2.06 0.25 -0.04 -1.89 0.00 0.00 176.35 173.17 1c89 s MET 56 N 6.31 4.22 0.12 1.98 -1.94 -1.26 -2.42 119.30 126.31 1c89 s MET 56 Ca 0.56 0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 54.45 1c89 s MET 56 Cb -0.12 -3.42 -0.12 0.00 2.01 0.00 0.00 34.83 33.19 1c89 s MET 56 CO 0.21 0.27 1.33 -1.00 -0.01 0.00 0.00 175.02 175.82 1c89 h PRO 57 N 6.62 0.76 0.00 2.03 0.13 -1.93 -2.46 132.00 137.15 1c89 h PRO 57 Ca -0.41 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1c89 h PRO 57 Cb 1.16 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1c89 h PRO 57 CO 0.75 1.22 0.00 -3.47 -0.23 0.00 0.00 178.00 176.27 1c89 n ASP 58 N -3.93 0.41 -0.03 1.44 2.03 -1.26 -2.42 116.55 112.78 1c89 n ASP 58 Ca -0.07 0.63 0.03 0.00 0.52 0.00 0.00 54.79 55.90 1c89 n ASP 58 Cb 0.73 -0.71 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 1c89 n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1c89 n MET 59 N -1.98 0.85 -3.69 -0.67 2.81 -1.14 -4.94 117.12 108.35 1c89 n MET 59 Ca 0.01 -0.10 -0.36 0.00 -1.81 0.00 0.00 57.70 55.44 1c89 n MET 59 Cb 0.13 -1.41 -0.07 0.00 -0.71 0.00 0.00 33.22 31.17 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 -2.89 5.36 0.00 2.03 1.01 -0.94 -2.66 120.40 122.31 1c89 s VAL 60 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1c89 s VAL 60 Cb 0.09 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1c89 s VAL 60 CO 0.69 0.49 0.12 0.29 0.00 0.00 0.00 175.10 176.69 1c89 n LYS 61 N 2.90 0.00 -3.02 2.72 5.02 -1.26 -4.63 118.16 119.89 1c89 n LYS 61 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 1c89 n LYS 61 Cb 0.53 -0.49 -0.05 0.00 -0.02 0.00 0.00 35.03 35.00 1c89 n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1c89 s ASN 62 N -1.45 6.24 -0.04 4.39 4.22 -1.26 -4.85 114.94 122.19 1c89 s ASN 62 Ca 0.00 -0.84 -0.06 0.00 -2.14 0.00 0.00 52.86 49.82 1c89 s ASN 62 Cb 0.00 -2.35 -0.03 0.00 1.28 0.00 0.00 41.25 40.15 1c89 s ASN 62 CO 0.00 -1.09 0.36 1.88 -2.04 0.00 0.00 177.10 176.21 1c89 h TYR 63 N 9.19 -0.21 -1.73 1.54 0.05 -1.92 -3.42 116.97 120.47 1c89 h TYR 63 Ca -0.28 -0.00 0.34 0.00 0.05 0.00 0.00 58.73 58.84 1c89 h TYR 63 Cb 1.08 0.07 -0.10 0.00 1.01 0.00 0.00 36.73 38.80 1c89 h TYR 63 CO 0.84 -0.13 0.88 -1.83 -1.05 0.00 0.00 178.16 176.87 1c89 s GLU 64 N -2.28 0.35 -1.26 4.88 -1.05 -1.26 -4.64 118.70 113.43 1c89 s GLU 64 Ca -0.03 -0.21 -0.07 0.00 -0.15 0.00 0.00 54.97 54.51 1c89 s GLU 64 Cb 0.00 0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1c89 s GLU 64 CO 0.10 -0.16 2.71 -0.25 0.95 0.00 0.00 175.26 178.61 1c89 n ASP 65 N -0.78 7.99 -1.10 0.83 9.92 -1.26 -4.46 116.55 127.69 1c89 n ASP 65 Ca -0.03 -2.90 -0.05 0.00 -0.53 0.00 0.00 54.79 51.28 1c89 n ASP 65 Cb 0.61 -1.42 0.15 0.00 -0.64 0.00 0.00 41.12 39.82 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 2.35 5.50 3.92 0.44 0.00 -1.26 -5.04 105.19 111.09 1c89 n GLY 66 Ca 0.66 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.66 5.05 0.00 2.61 -4.23 -1.26 -5.08 115.64 109.07 1c89 s THR 67 Ca 0.43 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1c89 s THR 67 Cb 0.39 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1c89 s THR 67 CO -0.03 -0.42 0.00 0.35 -0.54 0.00 0.00 174.62 173.98 1c89 n THR 68 N -1.27 0.00 -2.85 3.99 -2.24 -1.26 -4.97 114.28 105.68 1c89 n THR 68 Ca -0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1c89 n THR 68 Cb 0.55 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -1.00 7.16 0.00 3.42 0.01 -1.26 -5.01 113.70 117.03 1c89 s SER 69 Ca 0.00 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1c89 s SER 69 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1c89 s SER 69 CO 0.00 -0.25 0.02 -0.81 0.41 0.00 0.00 173.24 172.61 1c89 n PRO 70 N 4.15 0.00 0.00 12.44 -0.04 -1.26 -4.85 135.00 145.44 1c89 n PRO 70 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1c89 n PRO 70 Cb 0.51 -0.21 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 1.94 1.96 2.38 0.55 0.00 -1.26 -4.30 105.19 106.46 1c89 n GLY 71 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 6.81 -4.64 0.99 4.77 -1.26 -4.93 117.00 118.74 1c89 n LEU 72 Ca 0.00 -4.12 -0.43 0.00 -0.03 0.00 0.00 56.01 51.43 1c89 n LEU 72 Cb 0.00 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 1c89 n LEU 72 CO 0.00 1.83 1.00 -1.59 -1.33 0.00 0.00 177.39 177.31 1c89 s LYS 73 N -0.73 4.06 0.30 3.23 -2.85 -1.26 -4.26 119.74 118.22 1c89 s LYS 73 Ca 0.60 1.16 0.01 0.00 -1.00 0.00 0.00 55.97 56.75 1c89 s LYS 73 Cb 0.31 -3.76 -0.03 0.00 -2.06 0.00 0.00 37.83 32.28 1c89 s LYS 73 CO -0.14 -0.92 0.48 -1.54 0.10 0.00 0.00 175.35 173.33 1c89 s SER 74 N 1.88 6.31 0.02 0.03 1.04 0.18 -4.31 113.70 118.84 1c89 s SER 74 Ca 0.48 0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.95 1c89 s SER 74 Cb -0.14 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1c89 s SER 74 CO 0.16 -0.20 1.25 -0.69 0.98 0.00 0.00 173.24 174.74 1c89 s VAL 75 N -2.17 3.99 -0.03 5.02 1.01 -1.06 -0.23 120.40 126.93 1c89 s VAL 75 Ca 0.38 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.82 1c89 s VAL 75 Cb -0.10 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1c89 s VAL 75 CO 0.33 0.05 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1c89 s VAL 76 N 1.70 1.86 -1.11 2.92 1.01 0.22 -1.59 120.40 125.41 1c89 s VAL 76 Ca 0.59 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1c89 s VAL 76 Cb -0.29 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1c89 s VAL 76 CO 0.26 0.52 1.67 0.00 0.00 0.00 0.00 175.10 177.56 1c89 s ALA 77 N -0.38 2.63 0.45 5.51 0.00 0.56 -0.36 121.76 130.18 1c89 s ALA 77 Ca 0.04 -2.34 0.14 0.00 0.00 0.00 0.00 51.96 49.80 1c89 s ALA 77 Cb -0.11 -4.59 1.06 0.00 0.00 0.00 0.00 23.12 19.49 1c89 s ALA 77 CO 0.01 -3.89 2.03 -0.97 0.00 0.00 0.00 175.76 172.93 1c89 h ASN 78 N 9.33 0.30 -4.90 0.00 -0.00 -1.80 -0.13 115.58 118.39 1c89 h ASN 78 Ca 0.26 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.21 1c89 h ASN 78 Cb 0.96 -0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 39.18 1c89 h ASN 78 CO 1.38 0.19 -0.18 0.00 -0.00 0.00 0.00 177.43 178.83 1c89 n GLN 79 N -4.47 1.01 -3.47 6.67 6.02 -1.26 -3.40 117.38 118.47 1c89 n GLN 79 Ca 0.06 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.55 1c89 n GLN 79 Cb 0.27 0.25 -0.07 0.00 1.02 0.00 0.00 30.24 31.71 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 4.21 -0.22 1.08 0.20 -1.26 -3.92 118.68 118.77 1c89 s LEU 80 Ca 0.18 0.52 0.02 0.00 0.69 0.00 0.00 54.13 55.54 1c89 s LEU 80 Cb -0.01 -2.44 0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1c89 s LEU 80 CO 0.11 0.03 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 81 N 0.79 1.96 0.71 6.68 -1.09 -0.78 -4.97 121.20 124.50 1c89 s ILE 81 Ca 0.18 -1.26 -0.11 0.00 -2.23 0.00 0.00 60.65 57.23 1c89 s ILE 81 Cb -0.14 -1.99 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1c89 s ILE 81 CO 0.06 0.17 1.06 -2.16 -1.23 0.00 0.00 174.94 172.84 1c89 s PRO 82 N 1.25 2.83 0.37 2.79 0.04 -1.26 0.26 135.00 141.29 1c89 s PRO 82 Ca -0.03 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1c89 s PRO 82 Cb -0.17 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1c89 s PRO 82 CO -0.08 -1.17 -0.13 -0.89 0.04 0.00 0.00 177.00 174.77 1c89 n ILE 83 N -3.17 0.00 -3.21 0.56 2.08 -1.26 -3.59 119.36 110.78 1c89 n ILE 83 Ca 0.07 -0.34 -0.07 0.00 0.56 0.00 0.00 62.75 62.97 1c89 n ILE 83 Cb 0.54 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.44 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1c89 n ASN 84 N 1.76 -6.24 -3.51 4.38 4.05 -0.07 -4.93 115.26 110.71 1c89 n ASN 84 Ca 0.05 0.29 -0.20 0.00 0.45 0.00 0.00 54.58 55.16 1c89 n ASN 84 Cb 0.32 -1.55 -0.13 0.00 1.23 0.00 0.00 39.78 39.65 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1c89 s THR 85 N -1.07 -0.28 -0.88 -0.44 2.01 -1.24 -4.82 115.64 108.93 1c89 s THR 85 Ca 0.07 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 1c89 s THR 85 Cb -0.01 -0.68 -0.23 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.16 -0.24 2.30 0.00 -0.69 0.00 0.00 174.62 176.15 1c89 n ALA 86 N 5.31 0.70 -2.17 7.40 0.00 -1.24 -4.10 120.51 126.41 1c89 n ALA 86 Ca -0.06 -1.13 -0.41 0.00 0.00 0.00 0.00 53.44 51.84 1c89 n ALA 86 Cb 0.49 -2.88 -0.05 0.00 0.00 0.00 0.00 19.45 17.01 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 8.18 4.53 0.32 0.00 2.34 -0.32 -4.67 118.68 129.06 1c89 s LEU 87 Ca 1.11 1.81 0.03 0.00 0.06 0.00 0.00 54.13 57.14 1c89 s LEU 87 Cb -0.46 -3.58 -0.06 0.00 -0.56 0.00 0.00 46.19 41.54 1c89 s LEU 87 CO 0.30 -0.02 0.07 0.42 -1.06 0.00 0.00 176.35 176.07 1c89 s THR 88 N -0.24 1.05 0.48 5.48 -4.23 -1.26 0.26 115.64 117.17 1c89 s THR 88 Ca 0.45 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1c89 s THR 88 Cb -0.24 -2.73 0.48 0.00 1.34 0.00 0.00 72.50 71.35 1c89 s THR 88 CO 0.30 0.00 1.79 0.17 -0.54 0.00 0.00 174.62 176.34 1c89 h LEU 89 N 2.12 0.19 -0.52 4.79 -0.00 -1.97 0.25 115.31 120.18 1c89 h LEU 89 Ca -0.40 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1c89 h LEU 89 Cb 1.25 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1c89 h LEU 89 CO 0.67 0.03 0.17 0.58 -0.00 0.00 0.00 178.44 179.89 1c89 h VAL 90 N 0.16 1.23 0.00 0.15 2.07 -2.00 -2.89 116.25 114.98 1c89 h VAL 90 Ca 0.58 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1c89 h VAL 90 Cb 1.93 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1c89 h VAL 90 CO -0.14 0.28 -0.57 0.24 0.02 0.00 0.00 177.57 177.41 1c89 h MET 91 N 0.71 0.00 -5.60 1.57 2.86 -1.04 -3.45 114.93 109.98 1c89 h MET 91 Ca 0.17 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.16 1c89 h MET 91 Cb 0.27 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.77 1c89 h MET 91 CO -0.01 0.26 -0.60 -1.64 1.06 0.00 0.00 176.91 175.98 1c89 s MET 92 N -3.08 3.46 -0.22 1.72 1.00 0.42 -3.58 119.30 119.03 1c89 s MET 92 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 55.69 55.34 1c89 s MET 92 Cb 0.07 -2.98 0.02 0.00 0.00 0.00 0.00 34.83 31.94 1c89 s MET 92 CO 0.74 0.49 -0.12 0.15 0.00 0.00 0.00 175.02 176.29 1c89 s LYS 93 N -0.28 2.95 -0.73 2.03 1.02 0.51 -4.61 119.74 120.63 1c89 s LYS 93 Ca 0.07 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 1c89 s LYS 93 Cb -0.12 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1c89 s LYS 93 CO 0.02 -0.30 1.24 0.00 -0.92 0.00 0.00 175.35 175.39 1c89 s ALA 94 N 1.32 2.80 0.26 5.17 0.00 -1.26 0.71 121.76 130.77 1c89 s ALA 94 Ca 0.02 -1.44 0.12 0.00 0.00 0.00 0.00 51.96 50.66 1c89 s ALA 94 Cb -0.15 -4.21 -0.05 0.00 0.00 0.00 0.00 23.12 18.72 1c89 s ALA 94 CO -0.08 -3.22 -0.19 -1.83 0.00 0.00 0.00 175.76 170.44 1c89 s GLU 95 N 5.51 1.71 -0.85 0.00 -1.05 0.68 -4.67 118.70 120.04 1c89 s GLU 95 Ca 0.33 -1.69 -0.24 0.00 -0.15 0.00 0.00 54.97 53.22 1c89 s GLU 95 Cb -0.09 -1.82 0.05 0.00 -0.44 0.00 0.00 34.13 31.82 1c89 s GLU 95 CO 0.14 0.35 1.30 -2.00 0.95 0.00 0.00 175.26 176.00 1c89 s GLU 96 N -3.37 3.36 0.09 -4.83 -6.30 -1.26 0.48 118.70 106.87 1c89 s GLU 96 Ca 0.28 -0.74 0.00 0.00 -2.50 0.00 0.00 54.97 52.02 1c89 s GLU 96 Cb -0.06 -4.68 -0.04 0.00 0.00 0.00 0.00 34.13 29.35 1c89 s GLU 96 CO 0.15 -2.11 -0.02 0.54 0.02 0.00 0.00 175.26 173.83 1c89 s VAL 97 N 5.08 0.41 0.12 3.70 0.11 -1.26 -4.96 120.40 123.60 1c89 s VAL 97 Ca 0.38 -1.89 0.06 0.00 -2.93 0.00 0.00 61.98 57.60 1c89 s VAL 97 Cb -0.06 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1c89 s VAL 97 CO 0.03 -0.81 -0.00 -0.94 -3.33 0.00 0.00 175.10 170.06 1c89 s SER 98 N -3.01 4.92 1.05 3.54 1.04 -1.26 -4.10 113.70 115.88 1c89 s SER 98 Ca 0.13 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 1c89 s SER 98 Cb 0.07 -1.12 0.24 0.00 0.10 0.00 0.00 66.02 65.31 1c89 s SER 98 CO -0.05 0.14 1.29 -2.16 0.98 0.00 0.00 173.24 173.45 1c89 s PRO 99 N -2.55 -0.06 -0.87 4.02 0.04 -1.26 -4.93 135.00 129.39 1c89 s PRO 99 Ca 0.26 -0.43 -0.22 0.00 0.04 0.00 0.00 61.00 60.65 1c89 s PRO 99 Cb -0.11 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.75 1c89 s PRO 99 CO 0.18 -2.88 1.21 -1.59 0.04 0.00 0.00 177.00 173.96 1c89 s LYS 100 N -5.84 3.43 0.00 4.56 -2.85 -1.26 -4.95 119.74 112.83 1c89 s LYS 100 Ca 0.75 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1c89 s LYS 100 Cb -0.04 -4.79 0.00 0.00 -2.06 0.00 0.00 37.83 30.94 1c89 s LYS 100 CO 0.54 -1.97 0.00 0.41 0.10 0.00 0.00 175.35 174.44 1c89 n GLY 101 N 5.86 0.12 3.36 0.59 0.00 -1.26 -4.91 105.19 108.95 1c89 n GLY 101 Ca 0.18 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.77 0.70 -0.61 1.01 -0.83 -4.87 121.20 120.37 1c89 s ILE 102 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1c89 s ILE 102 Cb 0.00 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1c89 s ILE 102 CO 0.00 0.36 1.06 -2.16 0.00 0.00 0.00 174.94 174.21 1c89 s PRO 103 N 1.53 2.86 -0.94 2.79 0.04 -1.26 -2.58 135.00 137.44 1c89 s PRO 103 Ca 0.06 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 1c89 s PRO 103 Cb -0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1c89 s PRO 103 CO -0.00 -1.16 3.03 0.45 0.04 0.00 0.00 177.00 179.35 1c89 n SER 104 N -3.17 7.30 0.05 6.66 2.88 -1.26 -4.46 113.62 121.62 1c89 n SER 104 Ca 0.08 -2.74 -0.22 0.00 -1.33 0.00 0.00 58.87 54.66 1c89 n SER 104 Cb 0.53 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.41 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1c89 h GLU 105 N 4.07 0.33 -0.23 -1.46 4.11 -1.96 -3.37 114.58 116.07 1c89 h GLU 105 Ca 0.58 -0.56 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1c89 h GLU 105 Cb 0.70 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1c89 h GLU 105 CO 1.15 1.27 -0.02 0.39 0.07 0.00 0.00 179.01 181.87 1c89 n GLU 106 N -3.89 2.42 -0.25 1.06 -0.58 -1.26 -4.66 120.64 113.48 1c89 n GLU 106 Ca -0.21 -2.87 0.02 0.00 -0.42 0.00 0.00 57.16 53.68 1c89 n GLU 106 Cb 0.94 -1.78 0.25 0.00 -0.57 0.00 0.00 31.44 30.28 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 1.33 1.13 -1.02 -3.67 6.09 -1.86 -1.98 117.51 117.53 1c89 h ILE 107 Ca 0.05 -0.34 0.32 0.00 -1.37 0.00 0.00 64.86 63.51 1c89 h ILE 107 Cb 1.41 0.04 -0.14 0.00 0.47 0.00 0.00 36.82 38.60 1c89 h ILE 107 CO 0.22 0.18 0.59 -1.28 -3.07 0.00 0.00 178.15 174.79 1c89 h SER 108 N 1.00 0.52 0.75 2.19 0.87 -1.88 1.54 113.55 118.54 1c89 h SER 108 Ca 0.32 0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.87 1c89 h SER 108 Cb 0.04 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1c89 h SER 108 CO -0.10 -0.11 -1.37 0.11 -0.53 0.00 0.00 176.83 174.83 1c89 h LYS 109 N 0.34 0.00 -0.68 2.24 1.57 -1.75 -3.32 116.57 114.97 1c89 h LYS 109 Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 1c89 h LYS 109 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1c89 h LYS 109 CO -0.58 0.40 0.00 1.28 -0.57 0.00 0.00 179.45 179.98 1c89 n LEU 110 N -2.99 4.07 -4.75 2.94 4.77 0.11 -4.94 117.00 116.21 1c89 n LEU 110 Ca -0.10 -2.05 -0.41 0.00 -0.03 0.00 0.00 56.01 53.42 1c89 n LEU 110 Cb 0.89 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1c89 n LEU 110 CO 0.43 0.86 1.20 -0.69 -1.33 0.00 0.00 177.39 177.87 1c89 s VAL 111 N -1.40 2.19 -1.62 4.08 1.01 0.49 -1.64 120.40 123.51 1c89 s VAL 111 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1c89 s VAL 111 Cb 0.27 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1c89 s VAL 111 CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1c89 n GLY 112 N 1.99 0.14 3.80 4.51 0.00 0.72 -4.93 105.19 111.42 1c89 n GLY 112 Ca 0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1c89 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 113 N -4.56 2.99 -0.19 1.61 1.00 -0.65 -4.18 119.30 115.31 1c89 s MET 113 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 55.69 56.71 1c89 s MET 113 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1c89 s MET 113 CO 0.00 -1.07 0.32 -0.65 0.00 0.00 0.00 175.02 173.62 1c89 s GLN 114 N -4.44 4.20 0.44 2.03 -0.21 -1.26 -1.17 119.66 119.24 1c89 s GLN 114 Ca 0.62 0.10 -0.07 0.00 0.02 0.00 0.00 55.36 56.03 1c89 s GLN 114 Cb -0.16 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.31 1c89 s GLN 114 CO 0.45 0.09 0.76 0.54 -2.12 0.00 0.00 175.29 175.01 1c89 s VAL 115 N 0.92 4.87 -1.07 1.09 0.11 -1.26 -4.82 120.40 120.24 1c89 s VAL 115 Ca 0.17 0.35 0.21 0.00 -2.93 0.00 0.00 61.98 59.77 1c89 s VAL 115 Cb -0.14 -3.80 -0.20 0.00 -1.53 0.00 0.00 36.38 30.71 1c89 s VAL 115 CO 0.06 -0.68 0.89 -3.20 -3.33 0.00 0.00 175.10 168.84 1c89 n ASN 116 N -1.78 1.08 -4.40 3.54 2.85 -1.26 -0.89 115.26 114.40 1c89 n ASN 116 Ca 0.01 -1.04 -0.21 0.00 -0.11 0.00 0.00 54.58 53.24 1c89 n ASN 116 Cb 0.55 0.95 -0.10 0.00 1.24 0.00 0.00 39.78 42.41 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1c89 s ARG 117 N -2.89 1.47 0.51 1.20 1.81 -1.26 -4.60 118.95 115.20 1c89 s ARG 117 Ca 0.09 -1.68 -0.19 0.00 -1.72 0.00 0.00 55.73 52.22 1c89 s ARG 117 Cb 0.16 -1.31 -0.07 0.00 -0.45 0.00 0.00 34.95 33.28 1c89 s ARG 117 CO 0.82 0.19 1.06 0.00 -0.68 0.00 0.00 175.30 176.68 1c89 s ALA 118 N -2.85 2.82 0.00 2.13 0.00 -1.26 -4.02 121.76 118.57 1c89 s ALA 118 Ca 0.26 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1c89 s ALA 118 Cb -0.01 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1c89 s ALA 118 CO 0.10 -0.47 -0.22 0.08 0.00 0.00 0.00 175.76 175.25 1c89 s VAL 119 N -2.02 1.75 0.75 0.00 1.01 0.74 -4.83 120.40 117.80 1c89 s VAL 119 Ca 0.68 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1c89 s VAL 119 Cb -0.18 -1.47 0.15 0.00 0.00 0.00 0.00 36.38 34.88 1c89 s VAL 119 CO 0.24 0.42 1.03 -0.47 0.00 0.00 0.00 175.10 176.31 1c89 s TYR 120 N -0.60 1.26 0.00 5.22 6.14 -1.26 -1.86 117.35 126.25 1c89 s TYR 120 Ca 0.09 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.41 1c89 s TYR 120 Cb -0.09 -2.98 0.00 0.00 0.42 0.00 0.00 41.96 39.32 1c89 s TYR 120 CO -0.00 -1.86 0.00 -0.11 0.64 0.00 0.00 175.55 174.22 1c89 n LEU 121 N -2.90 0.00 -4.29 6.97 -0.00 -1.25 -4.22 117.00 111.32 1c89 n LEU 121 Ca 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.08 1c89 n LEU 121 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 1c89 n LEU 121 CO 0.41 0.00 1.37 0.47 -0.00 0.00 0.00 177.39 179.64 1c89 n ASP 122 N 0.00 -1.03 -4.40 1.96 8.00 -0.09 -4.51 116.55 116.48 1c89 n ASP 122 Ca 0.00 -1.30 -0.29 0.00 0.71 0.00 0.00 54.79 53.91 1c89 n ASP 122 Cb 0.00 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 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 6.48 1.57 0.08 -1.24 0.74 -1.04 -4.49 119.66 121.76 1c89 s GLN 123 Ca 0.61 -1.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.46 1c89 s GLN 123 Cb -0.28 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.81 1c89 s GLN 123 CO 0.21 0.47 1.02 0.99 -0.55 0.00 0.00 175.29 177.43 1c89 s THR 124 N -1.02 4.46 0.00 -0.34 2.01 -1.26 -0.33 115.64 119.16 1c89 s THR 124 Ca 0.14 1.93 -0.30 0.00 0.31 0.00 0.00 61.69 63.77 1c89 s THR 124 Cb -0.10 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1c89 s THR 124 CO 0.06 0.24 1.29 -0.22 -0.69 0.00 0.00 174.62 175.30 1c89 s LEU 125 N 0.37 4.32 0.23 4.42 2.96 -0.62 -4.91 118.68 125.45 1c89 s LEU 125 Ca 0.50 2.00 0.07 0.00 -0.22 0.00 0.00 54.13 56.49 1c89 s LEU 125 Cb -0.24 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 1c89 s LEU 125 CO 0.30 -0.61 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.57 1c89 s MET 126 N 1.96 1.39 0.27 1.98 -1.94 -1.26 -1.97 119.30 119.73 1c89 s MET 126 Ca 0.60 -1.65 0.25 0.00 -1.71 0.00 0.00 55.69 53.17 1c89 s MET 126 Cb -0.29 -1.08 0.95 0.00 2.01 0.00 0.00 34.83 36.42 1c89 s MET 126 CO 0.26 0.11 1.74 -1.00 -0.01 0.00 0.00 175.02 176.13 1c89 h PRO 127 N 2.47 0.00 -0.00 2.03 0.13 -1.92 -2.68 132.00 132.02 1c89 h PRO 127 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1c89 h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c89 h PRO 127 CO 0.64 0.00 -0.39 -0.25 -0.23 0.00 0.00 178.00 177.77 1c89 n ASP 128 N -2.32 0.64 -0.08 1.44 9.92 -1.26 -4.25 116.55 120.64 1c89 n ASP 128 Ca 0.03 -0.43 -0.11 0.00 -0.53 0.00 0.00 54.79 53.74 1c89 n ASP 128 Cb 0.29 0.18 -0.06 0.00 -0.64 0.00 0.00 41.12 40.88 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1c89 h MET 129 N 0.39 0.00 -7.82 -1.24 4.05 -1.89 -3.48 114.93 104.95 1c89 h MET 129 Ca 0.00 0.00 -0.45 0.00 -0.28 0.00 0.00 59.70 58.97 1c89 h MET 129 Cb 0.50 0.00 0.16 0.00 -0.80 0.00 0.00 31.60 31.46 1c89 h MET 129 CO 0.00 0.47 0.42 0.08 0.23 0.00 0.00 176.91 178.11 1c89 s VAL 130 N -2.20 1.99 0.00 -5.77 1.01 -1.24 -4.55 120.40 109.64 1c89 s VAL 130 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1c89 s VAL 130 Cb 0.03 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1c89 s VAL 130 CO 0.38 0.00 0.00 2.29 0.00 0.00 0.00 175.10 177.77 1c89 n LYS 131 N -3.80 3.77 -2.40 2.72 2.85 -1.26 -4.87 118.16 115.18 1c89 n LYS 131 Ca 0.15 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 1c89 n LYS 131 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1c89 n ASN 132 N 0.00 5.89 -3.03 -5.58 2.85 -1.26 -4.95 115.26 109.18 1c89 n ASN 132 Ca 0.00 -3.19 -0.04 0.00 -0.11 0.00 0.00 54.58 51.24 1c89 n ASN 132 Cb 0.00 -1.41 0.04 0.00 1.24 0.00 0.00 39.78 39.64 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n TYR 133 N 2.92 -2.16 1.03 1.20 4.11 -1.26 -5.29 117.16 117.72 1c89 n TYR 133 Ca 0.41 -0.09 0.12 0.00 -0.00 0.00 0.00 57.90 58.34 1c89 n TYR 133 Cb 0.33 -0.15 0.13 0.00 -0.00 0.00 0.00 39.34 39.65 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25