#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 2.09 0.44 1.20 3.01 -1.26 -4.99 119.74 120.24 1c89 s LYS 2 Ca 0.00 0.17 -0.21 0.00 -1.01 0.00 0.00 55.97 54.92 1c89 s LYS 2 Cb 0.00 -1.96 -0.10 0.00 -1.01 0.00 0.00 37.83 34.76 1c89 s LYS 2 CO 0.00 -1.52 0.98 0.00 0.51 0.00 0.00 175.35 175.33 1c89 s ALA 3 N -3.54 2.99 0.36 5.17 0.00 -1.26 -4.71 121.76 120.76 1c89 s ALA 3 Ca 0.61 0.48 0.08 0.00 0.00 0.00 0.00 51.96 53.14 1c89 s ALA 3 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1c89 s ALA 3 CO 0.49 -0.03 0.23 -1.12 0.00 0.00 0.00 175.76 175.34 1c89 s SER 4 N -2.07 4.90 -0.73 0.00 0.01 -0.24 -4.37 113.70 111.19 1c89 s SER 4 Ca 0.63 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 1c89 s SER 4 Cb -0.12 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.38 1c89 s SER 4 CO 0.16 -0.39 1.28 -0.69 0.41 0.00 0.00 173.24 174.01 1c89 s VAL 5 N -2.41 3.72 -0.25 3.43 1.01 -0.95 -2.49 120.40 122.46 1c89 s VAL 5 Ca 0.41 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1c89 s VAL 5 Cb -0.03 -4.90 0.04 0.00 0.00 0.00 0.00 36.38 31.49 1c89 s VAL 5 CO 0.25 -1.83 -0.10 -0.69 0.00 0.00 0.00 175.10 172.73 1c89 s VAL 6 N 5.75 2.46 0.13 2.92 1.01 0.61 -1.10 120.40 132.18 1c89 s VAL 6 Ca 0.36 -1.32 -0.35 0.00 0.00 0.00 0.00 61.98 60.66 1c89 s VAL 6 Cb -0.08 -2.32 -0.15 0.00 0.00 0.00 0.00 36.38 33.82 1c89 s VAL 6 CO 0.15 0.11 1.44 0.00 0.00 0.00 0.00 175.10 176.81 1c89 n ALA 7 N 4.55 0.17 0.07 5.51 0.00 0.83 -1.76 120.51 129.87 1c89 n ALA 7 Ca -0.16 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 1c89 n ALA 7 Cb 0.45 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 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 5.12 0.60 -2.20 0.00 -0.00 -1.86 0.58 115.58 117.82 1c89 h ASN 8 Ca -0.46 -0.93 -0.47 0.00 -0.00 0.00 0.00 56.30 54.44 1c89 h ASN 8 Cb 1.30 -0.19 0.08 0.00 -0.00 0.00 0.00 38.32 39.50 1c89 h ASN 8 CO 0.82 1.78 0.10 0.00 -0.00 0.00 0.00 177.43 180.14 1c89 s GLN 9 N -2.57 1.71 -0.38 6.67 -2.07 -1.26 -3.21 119.66 118.54 1c89 s GLN 9 Ca -0.17 -1.08 -0.22 0.00 -1.82 0.00 0.00 55.36 52.07 1c89 s GLN 9 Cb 0.05 -2.33 0.01 0.00 -1.09 0.00 0.00 33.01 29.65 1c89 s GLN 9 CO 0.84 -1.43 0.71 -1.17 -1.32 0.00 0.00 175.29 172.93 1c89 s LEU 10 N -5.14 4.24 -0.12 2.60 0.20 -1.26 -4.12 118.68 115.08 1c89 s LEU 10 Ca 0.66 0.12 -0.05 0.00 0.69 0.00 0.00 54.13 55.54 1c89 s LEU 10 Cb -0.06 -2.89 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 1c89 s LEU 10 CO 0.44 -0.72 0.07 -0.63 -0.29 0.00 0.00 176.35 175.23 1c89 s ILE 11 N 2.95 4.91 0.00 6.68 1.01 0.34 -4.94 121.20 132.15 1c89 s ILE 11 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1c89 s ILE 11 Cb -0.14 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1c89 s ILE 11 CO 0.17 0.58 0.00 -0.81 0.00 0.00 0.00 174.94 174.88 1c89 n PRO 12 N 2.41 0.57 -2.51 2.79 -0.04 -1.26 0.20 135.00 137.16 1c89 n PRO 12 Ca -0.19 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.01 1c89 n PRO 12 Cb 0.54 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.27 4.02 -0.96 0.52 1.09 -1.26 -3.62 121.20 120.71 1c89 s ILE 13 Ca 0.00 0.02 -0.12 0.00 -1.10 0.00 0.00 60.65 59.44 1c89 s ILE 13 Cb 0.00 -3.57 0.01 0.00 -1.06 0.00 0.00 42.46 37.85 1c89 s ILE 13 CO 0.00 -0.56 0.65 0.59 -0.10 0.00 0.00 174.94 175.52 1c89 n ASN 14 N -2.45 -4.84 -3.88 3.58 3.02 -0.26 -4.85 115.26 105.58 1c89 n ASN 14 Ca 0.03 -1.03 -0.25 0.00 -0.03 0.00 0.00 54.58 53.30 1c89 n ASN 14 Cb 0.57 -2.00 -0.17 0.00 -0.61 0.00 0.00 39.78 37.57 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 -3.19 0.85 -0.74 3.41 2.01 -1.26 -4.77 115.64 111.95 1c89 s THR 15 Ca 0.19 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1c89 s THR 15 Cb -0.10 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1c89 s THR 15 CO 0.91 0.34 2.15 0.00 -0.69 0.00 0.00 174.62 177.33 1c89 s ALA 16 N 1.69 1.45 0.48 7.40 0.00 -1.25 -3.82 121.76 127.71 1c89 s ALA 16 Ca 0.03 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1c89 s ALA 16 Cb -0.13 -4.48 -0.14 0.00 0.00 0.00 0.00 23.12 18.38 1c89 s ALA 16 CO -0.07 -4.92 0.10 1.28 0.00 0.00 0.00 175.76 172.15 1c89 n LEU 17 N 15.54 -2.40 -4.62 0.00 4.77 -1.07 -4.10 117.00 125.11 1c89 n LEU 17 Ca 0.38 0.73 -0.28 0.00 -0.03 0.00 0.00 56.01 56.81 1c89 n LEU 17 Cb 0.48 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1c89 n LEU 17 CO 0.62 -4.18 -0.28 0.42 -1.33 0.00 0.00 177.39 172.63 1c89 s THR 18 N -1.83 1.83 0.23 -5.08 -4.23 -1.26 0.21 115.64 105.52 1c89 s THR 18 Ca 0.60 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1c89 s THR 18 Cb -0.53 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 70.50 1c89 s THR 18 CO 0.63 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.67 1c89 h LEU 19 N 1.76 0.84 -0.46 4.79 6.46 -1.93 -2.23 115.31 124.53 1c89 h LEU 19 Ca -0.44 -0.23 -0.17 0.00 -0.12 0.00 0.00 57.88 56.93 1c89 h LEU 19 Cb 1.25 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1c89 h LEU 19 CO 0.79 0.92 -0.60 0.40 -0.62 0.00 0.00 178.44 179.33 1c89 h ILE 20 N 0.79 1.33 0.00 4.05 5.03 -2.02 -2.72 117.51 123.97 1c89 h ILE 20 Ca 0.14 -1.88 0.00 0.00 -0.12 0.00 0.00 64.86 63.00 1c89 h ILE 20 Cb 0.52 1.85 0.00 0.00 -3.03 0.00 0.00 36.82 36.17 1c89 h ILE 20 CO 0.03 0.58 0.00 0.23 -0.68 0.00 0.00 178.15 178.31 1c89 n MET 21 N -3.93 0.95 -3.73 2.37 2.81 -1.10 -4.68 117.12 109.81 1c89 n MET 21 Ca -0.04 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.48 1c89 n MET 21 Cb 0.64 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.00 3.67 -0.22 0.03 0.00 -0.86 -2.98 119.30 116.95 1c89 s MET 22 Ca 0.44 -0.47 -0.04 0.00 0.00 0.00 0.00 55.69 55.62 1c89 s MET 22 Cb 0.20 -3.38 -0.01 0.00 0.00 0.00 0.00 34.83 31.64 1c89 s MET 22 CO 0.34 -0.20 -0.03 0.21 0.00 0.00 0.00 175.02 175.35 1c89 s LYS 23 N 1.63 3.42 -1.30 4.11 2.20 -0.72 -4.88 119.74 124.20 1c89 s LYS 23 Ca 0.06 -0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 54.94 1c89 s LYS 23 Cb -0.15 -3.05 0.12 0.00 -1.51 0.00 0.00 37.83 33.23 1c89 s LYS 23 CO 0.05 -0.19 1.80 0.00 -0.36 0.00 0.00 175.35 176.64 1c89 n ALA 24 N 4.80 4.56 -2.85 3.13 0.00 -1.26 -0.28 120.51 128.61 1c89 n ALA 24 Ca -0.18 -4.10 -0.31 0.00 0.00 0.00 0.00 53.44 48.86 1c89 n ALA 24 Cb 0.51 -3.27 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 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 2.21 3.17 -1.19 0.00 2.12 -1.04 -4.61 118.70 119.37 1c89 s GLU 25 Ca 0.45 -0.55 -0.15 0.00 0.36 0.00 0.00 54.97 55.09 1c89 s GLU 25 Cb 0.06 -2.90 0.16 0.00 0.26 0.00 0.00 34.13 31.71 1c89 s GLU 25 CO 0.00 0.59 1.43 0.08 -0.54 0.00 0.00 175.26 176.83 1c89 s VAL 26 N -1.44 4.91 0.33 3.70 1.01 -1.26 -1.08 120.40 126.56 1c89 s VAL 26 Ca 0.32 -2.45 0.08 0.00 0.00 0.00 0.00 61.98 59.93 1c89 s VAL 26 Cb -0.13 -4.93 -0.06 0.00 0.00 0.00 0.00 36.38 31.26 1c89 s VAL 26 CO 0.24 -1.65 -0.06 0.68 0.00 0.00 0.00 175.10 174.31 1c89 s VAL 27 N 1.96 1.93 0.12 2.92 -7.23 -1.26 -4.99 120.40 113.86 1c89 s VAL 27 Ca 0.43 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 1c89 s VAL 27 Cb -0.02 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1c89 s VAL 27 CO -0.00 -0.20 0.01 0.28 -0.31 0.00 0.00 175.10 174.88 1c89 s THR 28 N -2.81 3.98 0.57 5.32 -1.32 -1.26 -3.57 115.64 116.55 1c89 s THR 28 Ca 0.32 -1.12 -0.16 0.00 -1.21 0.00 0.00 61.69 59.52 1c89 s THR 28 Cb 0.04 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 68.05 1c89 s THR 28 CO 0.15 0.03 1.03 -2.16 -2.21 0.00 0.00 174.62 171.47 1c89 s PRO 29 N -2.56 3.50 -0.95 7.08 0.04 -1.26 -5.03 135.00 135.82 1c89 s PRO 29 Ca 0.27 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 1c89 s PRO 29 Cb -0.11 -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 1.88 -1.64 0.04 0.00 0.00 177.00 176.82 1c89 s MET 30 N -4.13 2.69 0.00 4.56 -1.94 -1.23 -4.94 119.30 114.31 1c89 s MET 30 Ca 0.62 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1c89 s MET 30 Cb -0.14 -5.12 0.00 0.00 2.01 0.00 0.00 34.83 31.58 1c89 s MET 30 CO 0.36 -3.29 0.00 0.41 -0.01 0.00 0.00 175.02 172.50 1c89 n GLY 31 N 6.72 -3.40 3.76 -0.03 0.00 -1.26 -4.87 105.19 106.11 1c89 n GLY 31 Ca 0.40 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 0.00 3.99 0.91 -0.61 1.01 -0.79 -4.91 121.20 120.79 1c89 s ILE 32 Ca 0.00 1.96 -0.12 0.00 0.00 0.00 0.00 60.65 62.49 1c89 s ILE 32 Cb 0.00 -4.23 0.13 0.00 0.01 0.00 0.00 42.46 38.38 1c89 s ILE 32 CO 0.00 0.43 1.11 -2.16 0.00 0.00 0.00 174.94 174.32 1c89 s PRO 33 N -1.34 1.18 -0.18 2.79 0.04 -1.26 -2.25 135.00 133.98 1c89 s PRO 33 Ca 0.43 0.53 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1c89 s PRO 33 Cb -0.26 -1.82 0.34 0.00 0.04 0.00 0.00 34.50 32.79 1c89 s PRO 33 CO 0.32 -2.22 1.34 0.00 0.04 0.00 0.00 177.00 176.49 1c89 n ALA 34 N -3.82 3.74 -0.11 8.56 0.00 -1.26 -4.34 120.51 123.29 1c89 n ALA 34 Ca 0.06 -1.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.15 1c89 n ALA 34 Cb 0.57 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 0.88 0.57 -0.95 0.00 4.81 -1.95 -2.83 114.58 115.11 1c89 h GLU 35 Ca 0.22 -0.20 -0.32 0.00 -0.13 0.00 0.00 59.36 58.93 1c89 h GLU 35 Cb 1.70 -0.04 -0.19 0.00 0.63 0.00 0.00 28.75 30.84 1c89 h GLU 35 CO 0.44 0.73 0.41 0.39 -0.73 0.00 0.00 179.01 180.25 1c89 n GLU 36 N -4.52 2.23 -0.33 1.92 -0.58 -1.26 -4.63 120.64 113.46 1c89 n GLU 36 Ca -0.03 -2.23 -0.02 0.00 -0.42 0.00 0.00 57.16 54.46 1c89 n GLU 36 Cb 0.28 -1.90 0.03 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.08 0.05 0.00 -3.67 1.08 -1.79 2.22 117.51 116.48 1c89 h ILE 37 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 1c89 h ILE 37 Cb 2.26 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1c89 h ILE 37 CO 0.75 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.40 1c89 n PRO 38 N -5.47 0.20 -0.07 2.37 -0.04 -1.26 -1.06 135.00 129.67 1c89 n PRO 38 Ca 0.09 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1c89 n PRO 38 Cb 0.39 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.26 1.70 0.00 3.54 3.02 0.71 -4.52 115.26 118.45 1c89 n ASN 39 Ca 0.06 0.28 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 1c89 n ASN 39 Cb 0.09 -0.65 0.66 0.00 -0.61 0.00 0.00 39.78 39.28 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1c89 n LEU 40 N -4.18 0.00 -4.76 3.41 0.00 0.12 -4.82 117.00 106.77 1c89 n LEU 40 Ca -0.18 0.17 -0.35 0.00 0.00 0.00 0.00 56.01 55.65 1c89 n LEU 40 Cb 0.50 -0.17 0.03 0.00 0.00 0.00 0.00 43.42 43.77 1c89 n LEU 40 CO 0.13 -0.04 0.80 -0.69 0.00 0.00 0.00 177.39 177.60 1c89 s VAL 41 N -2.34 2.89 0.00 1.96 1.01 -0.22 -2.40 120.40 121.30 1c89 s VAL 41 Ca 0.29 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1c89 s VAL 41 Cb 0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1c89 s VAL 41 CO 0.34 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1c89 n GLY 42 N 0.24 0.28 3.72 4.51 0.00 0.57 -4.82 105.19 109.69 1c89 n GLY 42 Ca 0.12 0.00 -0.42 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 -0.93 4.52 0.13 1.61 1.00 -1.01 -3.87 119.30 120.75 1c89 s MET 43 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 55.69 57.09 1c89 s MET 43 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 34.83 31.43 1c89 s MET 43 CO 0.00 -0.09 0.92 -0.65 0.00 0.00 0.00 175.02 175.20 1c89 s GLN 44 N 0.49 4.70 0.52 2.03 -0.21 -1.25 -2.61 119.66 123.34 1c89 s GLN 44 Ca 0.54 1.40 -0.07 0.00 0.02 0.00 0.00 55.36 57.25 1c89 s GLN 44 Cb -0.28 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 1c89 s GLN 44 CO 0.31 0.31 0.85 0.14 -2.12 0.00 0.00 175.29 174.78 1c89 s VAL 45 N -0.33 4.74 -1.48 1.09 -7.23 -1.25 -4.72 120.40 111.22 1c89 s VAL 45 Ca 0.44 0.33 0.24 0.00 -1.81 0.00 0.00 61.98 61.18 1c89 s VAL 45 Cb -0.24 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 32.94 1c89 s VAL 45 CO 0.29 -0.88 1.32 0.59 -0.31 0.00 0.00 175.10 176.11 1c89 n ASN 46 N -2.40 1.08 -3.96 4.85 3.02 -0.45 -1.10 115.26 116.30 1c89 n ASN 46 Ca 0.02 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.48 1c89 n ASN 46 Cb 0.55 0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 40.02 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 -2.72 1.84 0.39 3.52 0.52 -1.26 -4.84 118.95 116.41 1c89 s ARG 47 Ca 0.17 -2.10 -0.24 0.00 -0.52 0.00 0.00 55.73 53.03 1c89 s ARG 47 Cb 0.18 -0.36 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 1c89 s ARG 47 CO 0.64 -0.50 1.05 0.00 0.02 0.00 0.00 175.30 176.50 1c89 s ALA 48 N -3.32 3.11 -0.29 2.13 0.00 -1.26 -4.20 121.76 117.93 1c89 s ALA 48 Ca 0.29 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1c89 s ALA 48 Cb 0.03 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1c89 s ALA 48 CO 0.17 -0.20 -0.04 0.08 0.00 0.00 0.00 175.76 175.77 1c89 s VAL 49 N -1.63 2.37 0.00 0.00 1.01 0.13 -4.94 120.40 117.34 1c89 s VAL 49 Ca 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1c89 s VAL 49 Cb -0.23 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1c89 s VAL 49 CO 0.28 -0.23 0.00 -0.81 0.00 0.00 0.00 175.10 174.35 1c89 n PRO 50 N 4.42 -0.43 -2.64 2.72 -0.04 -1.26 0.13 135.00 137.90 1c89 n PRO 50 Ca -0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 1c89 n PRO 50 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.83 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 4.58 -0.97 1.53 1.02 -1.26 -3.37 118.68 120.21 1c89 s LEU 51 Ca 0.00 2.03 -0.01 0.00 0.02 0.00 0.00 54.13 56.17 1c89 s LEU 51 Cb 0.00 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.60 1c89 s LEU 51 CO 0.00 -0.01 0.10 0.61 0.02 0.00 0.00 176.35 177.08 1c89 n GLY 52 N 1.60 -0.08 3.64 -3.19 0.00 0.20 -4.95 105.19 102.41 1c89 n GLY 52 Ca -0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.68 4.34 0.66 2.61 2.01 -0.83 -4.69 115.64 117.07 1c89 s THR 53 Ca 0.05 1.56 -0.13 0.00 0.31 0.00 0.00 61.69 63.48 1c89 s THR 53 Cb -0.02 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 1c89 s THR 53 CO 0.06 -0.38 1.06 0.28 -0.69 0.00 0.00 174.62 174.95 1c89 s THR 54 N 3.85 3.98 -0.57 -0.82 -1.32 -1.26 -0.12 115.64 119.38 1c89 s THR 54 Ca 0.51 0.74 -0.27 0.00 -1.21 0.00 0.00 61.69 61.46 1c89 s THR 54 Cb -0.16 -3.41 -0.01 0.00 -1.51 0.00 0.00 72.50 67.42 1c89 s THR 54 CO 0.17 -0.74 1.66 -0.22 -2.21 0.00 0.00 174.62 173.28 1c89 s LEU 55 N -5.17 3.34 -0.12 9.08 0.20 -0.26 -4.87 118.68 120.89 1c89 s LEU 55 Ca 0.60 0.37 -0.05 0.00 0.69 0.00 0.00 54.13 55.74 1c89 s LEU 55 Cb -0.14 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.76 1c89 s LEU 55 CO 0.48 -2.04 0.08 -0.04 -0.29 0.00 0.00 176.35 174.55 1c89 s MET 56 N 6.27 3.37 0.04 1.98 -1.94 -1.26 -1.88 119.30 125.88 1c89 s MET 56 Ca 0.61 -0.27 0.20 0.00 -1.71 0.00 0.00 55.69 54.53 1c89 s MET 56 Cb -0.13 -3.05 0.85 0.00 2.01 0.00 0.00 34.83 34.51 1c89 s MET 56 CO 0.23 0.66 1.65 -0.35 -0.01 0.00 0.00 175.02 177.20 1c89 n PRO 57 N 2.31 0.04 0.20 2.03 -0.04 -1.26 -2.68 135.00 135.60 1c89 n PRO 57 Ca -0.19 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1c89 n PRO 57 Cb 0.54 -1.56 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 1c89 n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 58 N 0.00 0.00 0.00 3.54 5.19 -1.97 -3.28 116.42 119.90 1c89 h ASP 58 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1c89 h ASP 58 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1c89 h ASP 58 CO 0.00 0.00 -1.00 0.23 -3.12 0.00 0.00 179.24 175.35 1c89 n MET 59 N -3.01 1.24 -4.24 3.56 2.81 -1.09 -4.91 117.12 111.48 1c89 n MET 59 Ca 0.03 -0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1c89 n MET 59 Cb 0.53 -1.32 -0.13 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.72 3.52 0.00 2.03 1.01 -1.16 -1.34 120.40 121.74 1c89 s VAL 60 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1c89 s VAL 60 Cb 0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1c89 s VAL 60 CO 0.70 0.46 0.00 0.29 0.00 0.00 0.00 175.10 176.55 1c89 n LYS 61 N 4.14 0.00 -2.98 2.72 4.76 -1.26 -4.59 118.16 120.95 1c89 n LYS 61 Ca -0.18 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.82 1c89 n LYS 61 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 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 -4.94 115.26 125.65 1c89 n ASN 62 Ca 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 1c89 n ASN 62 Cb 0.00 -1.54 0.00 0.00 -2.36 0.00 0.00 39.78 35.88 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 5.17 0.00 -3.40 -2.53 0.18 -1.26 -4.93 117.16 110.38 1c89 n TYR 63 Ca 0.35 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 60.11 1c89 n TYR 63 Cb 0.42 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c89 n GLU 64 N 0.00 1.31 -1.11 -3.48 4.71 -1.26 -4.81 120.64 116.00 1c89 n GLU 64 Ca 0.00 -0.29 -0.17 0.00 -0.01 0.00 0.00 57.16 56.69 1c89 n GLU 64 Cb 0.00 0.02 -0.06 0.00 -1.01 0.00 0.00 31.44 30.39 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1c89 n ASP 65 N -2.22 5.98 -1.50 1.62 5.68 -1.26 -4.40 116.55 120.45 1c89 n ASP 65 Ca 0.00 -2.87 0.05 0.00 -0.50 0.00 0.00 54.79 51.47 1c89 n ASP 65 Cb 0.05 -1.24 0.29 0.00 -1.14 0.00 0.00 41.12 39.09 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c89 n GLY 66 N 1.31 2.55 3.92 6.12 0.00 -1.26 -4.93 105.19 112.90 1c89 n GLY 66 Ca 0.38 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -2.26 4.86 0.00 2.61 -4.23 -1.26 -5.09 115.64 110.27 1c89 s THR 67 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1c89 s THR 67 Cb 0.30 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1c89 s THR 67 CO 0.12 -0.74 0.00 1.07 -0.54 0.00 0.00 174.62 174.53 1c89 n THR 68 N -2.16 0.00 -0.98 3.99 5.66 -1.26 -4.99 114.28 114.54 1c89 n THR 68 Ca -0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1c89 n THR 68 Cb 0.56 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.53 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1c89 s SER 69 N -1.16 2.18 0.00 1.09 0.01 -1.26 -5.03 113.70 109.53 1c89 s SER 69 Ca 0.00 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1c89 s SER 69 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1c89 s SER 69 CO 0.00 -3.43 0.00 -0.81 0.41 0.00 0.00 173.24 169.41 1c89 n PRO 70 N -4.39 0.00 0.00 12.44 -0.04 -1.26 -4.79 135.00 136.96 1c89 n PRO 70 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1c89 n PRO 70 Cb 0.56 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 2.04 1.32 2.25 0.55 0.00 -1.26 -4.25 105.19 105.85 1c89 n GLY 71 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 6.78 -4.71 0.99 4.77 -1.26 -4.94 117.00 118.62 1c89 n LEU 72 Ca 0.00 -3.91 -0.42 0.00 -0.03 0.00 0.00 56.01 51.64 1c89 n LEU 72 Cb 0.00 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 1c89 n LEU 72 CO 0.00 1.85 1.16 -1.59 -1.33 0.00 0.00 177.39 177.48 1c89 s LYS 73 N 0.35 4.26 0.04 3.23 -2.85 -1.26 -3.35 119.74 120.17 1c89 s LYS 73 Ca 0.64 2.21 -0.01 0.00 -1.00 0.00 0.00 55.97 57.81 1c89 s LYS 73 Cb 0.28 -3.26 -0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1c89 s LYS 73 CO -0.08 -0.54 -0.03 -1.54 0.10 0.00 0.00 175.35 173.26 1c89 s SER 74 N 1.29 0.43 0.02 0.03 1.04 -0.97 -4.44 113.70 111.10 1c89 s SER 74 Ca 0.68 -0.85 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 1c89 s SER 74 Cb -0.40 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1c89 s SER 74 CO 0.31 -0.51 0.85 -0.69 0.98 0.00 0.00 173.24 174.18 1c89 s VAL 75 N -3.18 4.81 -0.04 5.02 1.01 -0.89 0.14 120.40 127.27 1c89 s VAL 75 Ca 0.00 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1c89 s VAL 75 Cb 0.03 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1c89 s VAL 75 CO -0.07 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.47 1c89 s VAL 76 N 0.48 1.15 -1.25 2.92 1.01 0.35 -1.86 120.40 123.19 1c89 s VAL 76 Ca 0.44 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 1c89 s VAL 76 Cb -0.20 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1c89 s VAL 76 CO 0.25 0.34 1.81 0.00 0.00 0.00 0.00 175.10 177.50 1c89 s ALA 77 N 0.26 2.73 0.65 5.51 0.00 0.13 0.76 121.76 131.79 1c89 s ALA 77 Ca -0.06 -2.62 0.36 0.00 0.00 0.00 0.00 51.96 49.63 1c89 s ALA 77 Cb -0.12 -4.66 2.00 0.00 0.00 0.00 0.00 23.12 20.34 1c89 s ALA 77 CO 0.02 -4.05 2.17 -0.97 0.00 0.00 0.00 175.76 172.93 1c89 h ASN 78 N 8.41 0.00 -4.39 0.00 -0.73 -1.78 0.78 115.58 117.88 1c89 h ASN 78 Ca 0.36 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.29 1c89 h ASN 78 Cb 0.90 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 1c89 h ASN 78 CO 1.37 0.00 -0.12 0.00 -0.37 0.00 0.00 177.43 178.31 1c89 n GLN 79 N -3.20 1.20 -3.84 6.67 1.13 -1.26 -2.95 117.38 115.13 1c89 n GLN 79 Ca -0.02 -1.39 -0.35 0.00 -1.94 0.00 0.00 57.00 53.30 1c89 n GLN 79 Cb 0.22 0.17 -0.10 0.00 0.11 0.00 0.00 30.24 30.65 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c89 s LEU 80 N 0.00 3.92 -0.19 1.08 0.20 -1.26 -3.59 118.68 118.84 1c89 s LEU 80 Ca 0.11 0.08 0.01 0.00 0.69 0.00 0.00 54.13 55.03 1c89 s LEU 80 Cb -0.01 -2.02 0.03 0.00 -0.43 0.00 0.00 46.19 43.76 1c89 s LEU 80 CO 0.07 0.12 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.45 1c89 s ILE 81 N 0.71 1.97 0.63 6.68 -1.09 -0.80 -4.97 121.20 124.34 1c89 s ILE 81 Ca 0.05 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.33 1c89 s ILE 81 Cb -0.13 -1.85 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1c89 s ILE 81 CO 0.02 0.42 1.08 -2.16 -1.23 0.00 0.00 174.94 173.07 1c89 s PRO 82 N 1.30 3.05 0.52 2.79 0.04 -1.26 0.40 135.00 141.84 1c89 s PRO 82 Ca 0.03 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 1c89 s PRO 82 Cb -0.14 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 1c89 s PRO 82 CO -0.11 -1.04 0.05 -0.89 0.04 0.00 0.00 177.00 175.05 1c89 n ILE 83 N -2.32 0.62 -3.28 0.56 5.41 -1.26 -3.35 119.36 115.75 1c89 n ILE 83 Ca 0.09 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.17 1c89 n ILE 83 Cb 0.53 -0.19 0.01 0.00 -0.71 0.00 0.00 39.64 39.28 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 1.95 -6.60 -3.48 4.38 4.13 0.25 -4.95 115.26 110.94 1c89 n ASN 84 Ca 0.09 -0.14 -0.23 0.00 1.68 0.00 0.00 54.58 55.99 1c89 n ASN 84 Cb 0.47 -3.60 -0.13 0.00 -1.54 0.00 0.00 39.78 34.99 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c89 s THR 85 N -2.52 -0.24 -0.88 3.41 2.01 -1.21 -4.80 115.64 111.41 1c89 s THR 85 Ca 0.16 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 1c89 s THR 85 Cb -0.03 -0.90 -0.23 0.00 0.01 0.00 0.00 72.50 71.35 1c89 s THR 85 CO 0.82 -0.51 2.29 0.00 -0.69 0.00 0.00 174.62 176.53 1c89 n ALA 86 N 5.29 0.69 -1.94 7.40 0.00 -1.25 -3.83 120.51 126.86 1c89 n ALA 86 Ca -0.04 -1.15 -0.40 0.00 0.00 0.00 0.00 53.44 51.85 1c89 n ALA 86 Cb 0.45 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 16.97 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 8.27 4.60 0.47 0.00 2.34 -0.77 -4.69 118.68 128.90 1c89 s LEU 87 Ca 1.09 1.74 0.02 0.00 0.06 0.00 0.00 54.13 57.05 1c89 s LEU 87 Cb -0.45 -3.40 -0.01 0.00 -0.56 0.00 0.00 46.19 41.77 1c89 s LEU 87 CO 0.30 0.17 0.07 0.42 -1.06 0.00 0.00 176.35 176.25 1c89 s THR 88 N -1.06 0.83 0.53 5.48 -4.23 -1.26 0.17 115.64 116.10 1c89 s THR 88 Ca 0.38 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.21 1c89 s THR 88 Cb -0.24 -2.21 0.50 0.00 1.34 0.00 0.00 72.50 71.89 1c89 s THR 88 CO 0.28 0.00 1.86 0.17 -0.54 0.00 0.00 174.62 176.39 1c89 h LEU 89 N 1.54 0.04 0.02 4.79 -0.00 -1.94 0.26 115.31 120.01 1c89 h LEU 89 Ca -0.39 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1c89 h LEU 89 Cb 1.30 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1c89 h LEU 89 CO 0.64 0.01 -0.01 0.58 -0.00 0.00 0.00 178.44 179.67 1c89 h VAL 90 N 0.03 1.02 0.00 0.15 2.07 -2.01 -2.68 116.25 114.85 1c89 h VAL 90 Ca 0.48 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1c89 h VAL 90 Cb 1.86 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1c89 h VAL 90 CO -0.03 0.03 -0.22 0.24 0.02 0.00 0.00 177.57 177.62 1c89 h MET 91 N -0.08 0.00 -5.53 1.57 2.86 -1.42 -3.44 114.93 108.89 1c89 h MET 91 Ca -0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.04 1c89 h MET 91 Cb 0.07 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.63 1c89 h MET 91 CO 0.00 0.00 -0.16 -1.64 1.06 0.00 0.00 176.91 176.18 1c89 s MET 92 N -3.18 4.22 -0.34 1.72 1.00 0.73 -3.81 119.30 119.64 1c89 s MET 92 Ca 0.07 0.30 -0.05 0.00 0.00 0.00 0.00 55.69 56.02 1c89 s MET 92 Cb 0.10 -3.51 0.05 0.00 0.00 0.00 0.00 34.83 31.47 1c89 s MET 92 CO 0.66 0.00 0.10 0.21 0.00 0.00 0.00 175.02 176.00 1c89 s LYS 93 N 1.16 2.52 -0.74 2.03 2.47 0.23 -4.71 119.74 122.70 1c89 s LYS 93 Ca 0.22 -1.29 -0.27 0.00 -1.56 0.00 0.00 55.97 53.07 1c89 s LYS 93 Cb -0.15 -3.44 0.02 0.00 -1.46 0.00 0.00 37.83 32.81 1c89 s LYS 93 CO 0.09 -0.72 1.38 0.00 0.16 0.00 0.00 175.35 176.25 1c89 s ALA 94 N 1.34 2.66 -0.11 3.13 0.00 -1.26 0.13 121.76 127.66 1c89 s ALA 94 Ca -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1c89 s ALA 94 Cb -0.20 -4.28 -0.02 0.00 0.00 0.00 0.00 23.12 18.62 1c89 s ALA 94 CO 0.01 -3.40 -0.15 -1.21 0.00 0.00 0.00 175.76 171.01 1c89 s GLU 95 N 5.90 3.15 -1.23 0.00 0.41 0.12 -4.73 118.70 122.32 1c89 s GLU 95 Ca 0.40 -0.71 -0.19 0.00 -0.41 0.00 0.00 54.97 54.06 1c89 s GLU 95 Cb -0.08 -2.54 0.07 0.00 -1.78 0.00 0.00 34.13 29.80 1c89 s GLU 95 CO 0.14 0.30 1.65 -1.21 -0.49 0.00 0.00 175.26 175.66 1c89 s GLU 96 N 0.12 3.90 0.21 1.61 8.01 -1.26 -2.29 118.70 129.00 1c89 s GLU 96 Ca -0.07 -1.83 0.01 0.00 0.01 0.00 0.00 54.97 53.09 1c89 s GLU 96 Cb -0.15 -5.47 -0.05 0.00 -4.31 0.00 0.00 34.13 24.16 1c89 s GLU 96 CO 0.05 -2.22 0.07 0.54 0.01 0.00 0.00 175.26 173.72 1c89 s VAL 97 N 4.24 0.44 0.06 2.63 0.11 -1.21 -4.79 120.40 121.87 1c89 s VAL 97 Ca 0.51 -1.99 0.04 0.00 -2.93 0.00 0.00 61.98 57.62 1c89 s VAL 97 Cb 0.03 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1c89 s VAL 97 CO 0.03 -0.17 -0.00 -0.55 -3.33 0.00 0.00 175.10 171.08 1c89 s SER 98 N -3.22 5.03 0.68 3.54 0.15 -1.26 -3.49 113.70 115.13 1c89 s SER 98 Ca 0.33 -0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.75 1c89 s SER 98 Cb 0.07 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1c89 s SER 98 CO 0.10 0.21 1.06 -2.16 1.20 0.00 0.00 173.24 173.64 1c89 s PRO 99 N -2.05 3.04 -0.26 5.44 0.04 -1.26 -5.08 135.00 134.86 1c89 s PRO 99 Ca 0.24 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 1c89 s PRO 99 Cb -0.12 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1c89 s PRO 99 CO 0.16 -1.01 0.47 -1.59 0.04 0.00 0.00 177.00 175.06 1c89 s LYS 100 N -5.08 4.05 0.00 4.56 0.00 -1.23 -5.02 119.74 117.03 1c89 s LYS 100 Ca 0.58 0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.77 1c89 s LYS 100 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 37.83 34.04 1c89 s LYS 100 CO 0.55 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.98 1c89 n GLY 101 N 4.50 1.54 3.52 0.59 0.00 -1.26 -4.95 105.19 109.14 1c89 n GLY 101 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 3.92 0.66 -0.61 1.01 -0.22 -4.91 121.20 121.06 1c89 s ILE 102 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 1c89 s ILE 102 Cb 0.00 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1c89 s ILE 102 CO 0.00 0.51 1.08 -2.16 0.00 0.00 0.00 174.94 174.38 1c89 s PRO 103 N 0.13 2.90 -0.18 2.79 0.04 -1.26 -2.09 135.00 137.33 1c89 s PRO 103 Ca -0.01 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1c89 s PRO 103 Cb -0.14 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1c89 s PRO 103 CO 0.03 -1.15 2.21 0.43 0.04 0.00 0.00 177.00 178.55 1c89 n SER 104 N -2.58 5.93 0.28 6.66 7.64 -1.26 -4.51 113.62 125.77 1c89 n SER 104 Ca 0.09 -2.77 -0.12 0.00 1.01 0.00 0.00 58.87 57.09 1c89 n SER 104 Cb 0.53 -1.13 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1c89 h GLU 105 N 1.53 -0.73 -0.72 1.43 5.08 -1.96 -3.29 114.58 115.92 1c89 h GLU 105 Ca 0.17 0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.31 1c89 h GLU 105 Cb 0.98 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 1c89 h GLU 105 CO 0.42 -0.49 0.30 0.39 -1.00 0.00 0.00 179.01 178.64 1c89 n GLU 106 N -4.93 3.05 -0.27 2.33 1.02 -1.26 -4.60 120.64 115.98 1c89 n GLU 106 Ca -0.09 -3.07 0.01 0.00 -0.02 0.00 0.00 57.16 53.98 1c89 n GLU 106 Cb 0.30 -2.13 0.14 0.00 -0.02 0.00 0.00 31.44 29.73 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 1.97 0.94 -0.93 -3.67 6.09 -1.84 -0.10 117.51 119.97 1c89 h ILE 107 Ca 0.34 -0.26 0.27 0.00 -1.37 0.00 0.00 64.86 63.84 1c89 h ILE 107 Cb 2.32 0.12 -0.04 0.00 0.47 0.00 0.00 36.82 39.70 1c89 h ILE 107 CO 0.75 0.14 0.82 0.77 -3.07 0.00 0.00 178.15 177.56 1c89 h SER 108 N 0.75 0.00 0.36 2.19 4.64 -1.85 1.57 113.55 121.21 1c89 h SER 108 Ca 0.35 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.40 1c89 h SER 108 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 1c89 h SER 108 CO -0.22 0.00 -1.87 0.29 -0.87 0.00 0.00 176.83 174.16 1c89 n LYS 109 N -3.82 0.65 -0.01 4.77 5.02 -0.10 -4.12 118.16 120.55 1c89 n LYS 109 Ca 0.20 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.77 1c89 n LYS 109 Cb 1.13 -1.70 0.18 0.00 -0.02 0.00 0.00 35.03 34.62 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.88 2.76 -4.73 -0.35 4.77 0.14 -4.90 117.00 111.80 1c89 n LEU 110 Ca -0.20 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.43 1c89 n LEU 110 Cb 1.01 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 1c89 n LEU 110 CO 0.44 0.47 1.16 -0.69 -1.33 0.00 0.00 177.39 177.44 1c89 s VAL 111 N -1.97 2.64 -0.07 4.08 1.01 0.49 -1.78 120.40 124.80 1c89 s VAL 111 Ca 0.30 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1c89 s VAL 111 Cb 0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1c89 s VAL 111 CO 0.31 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1c89 n GLY 112 N 2.89 0.48 3.78 4.51 0.00 0.46 -4.91 105.19 112.40 1c89 n GLY 112 Ca 0.10 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.89 4.28 0.07 1.61 0.00 -0.73 -4.32 119.30 119.32 1c89 s MET 113 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 55.69 56.88 1c89 s MET 113 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 34.83 32.16 1c89 s MET 113 CO 0.00 -0.02 0.87 -0.65 0.00 0.00 0.00 175.02 175.22 1c89 s GLN 114 N -2.38 4.60 0.39 3.16 -0.21 -1.26 -1.84 119.66 122.11 1c89 s GLN 114 Ca 0.56 1.27 -0.10 0.00 0.02 0.00 0.00 55.36 57.10 1c89 s GLN 114 Cb -0.21 -3.38 -0.06 0.00 1.00 0.00 0.00 33.01 30.35 1c89 s GLN 114 CO 0.27 0.22 0.76 0.54 -2.12 0.00 0.00 175.29 174.95 1c89 s VAL 115 N 0.08 4.79 -0.88 1.09 0.11 -1.25 -4.80 120.40 119.55 1c89 s VAL 115 Ca 0.44 0.61 0.20 0.00 -2.93 0.00 0.00 61.98 60.30 1c89 s VAL 115 Cb -0.22 -3.72 -0.23 0.00 -1.53 0.00 0.00 36.38 30.67 1c89 s VAL 115 CO 0.26 -0.49 0.83 0.59 -3.33 0.00 0.00 175.10 172.97 1c89 n ASN 116 N -1.22 0.89 -4.47 3.54 5.03 -1.26 -0.59 115.26 117.19 1c89 n ASN 116 Ca 0.02 -0.89 -0.23 0.00 0.87 0.00 0.00 54.58 54.35 1c89 n ASN 116 Cb 0.54 1.09 -0.10 0.00 -1.02 0.00 0.00 39.78 40.29 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1c89 s ARG 117 N -2.99 1.64 0.52 3.52 3.52 -1.26 -4.62 118.95 119.29 1c89 s ARG 117 Ca 0.06 -1.84 -0.18 0.00 -0.13 0.00 0.00 55.73 53.64 1c89 s ARG 117 Cb 0.15 -1.31 -0.07 0.00 -1.56 0.00 0.00 34.95 32.17 1c89 s ARG 117 CO 0.85 0.06 1.04 0.00 -0.81 0.00 0.00 175.30 176.43 1c89 s ALA 118 N -2.90 2.84 -0.02 6.12 0.00 -1.26 -4.03 121.76 122.51 1c89 s ALA 118 Ca 0.31 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.80 1c89 s ALA 118 Cb 0.04 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 1c89 s ALA 118 CO 0.13 -0.47 -0.12 0.08 0.00 0.00 0.00 175.76 175.38 1c89 s VAL 119 N -2.20 1.00 0.00 0.00 1.01 0.16 -4.86 120.40 115.52 1c89 s VAL 119 Ca 0.65 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1c89 s VAL 119 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1c89 s VAL 119 CO 0.27 0.29 0.00 -1.22 0.00 0.00 0.00 175.10 174.44 1c89 n TYR 120 N 3.03 -3.34 0.00 5.22 4.01 -1.26 -1.91 117.16 122.91 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -4.37 7.72 -0.00 -1.24 -4.12 117.00 114.99 1c89 n LEU 121 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1c89 n LEU 121 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1c89 n LEU 121 CO 0.00 0.00 1.60 0.47 -0.00 0.00 0.00 177.39 179.46 1c89 n ASP 122 N 0.00 -1.00 -4.43 1.96 9.92 0.20 -4.45 116.55 118.75 1c89 n ASP 122 Ca 0.00 -1.05 -0.29 0.00 -0.53 0.00 0.00 54.79 52.92 1c89 n ASP 122 Cb 0.00 -0.78 -0.12 0.00 -0.64 0.00 0.00 41.12 39.57 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1c89 s GLN 123 N 6.80 1.57 0.00 -1.24 2.00 -0.79 -4.70 119.66 123.31 1c89 s GLN 123 Ca 0.86 -1.31 -0.30 0.00 -2.00 0.00 0.00 55.36 52.61 1c89 s GLN 123 Cb -0.46 -1.97 -0.03 0.00 0.80 0.00 0.00 33.01 31.34 1c89 s GLN 123 CO 0.32 0.45 1.04 0.99 -0.50 0.00 0.00 175.29 177.59 1c89 s THR 124 N -1.18 4.67 0.06 -0.34 2.01 -1.26 0.19 115.64 119.78 1c89 s THR 124 Ca 0.16 1.92 -0.31 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 124 Cb -0.10 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 1c89 s THR 124 CO 0.08 0.13 1.58 -0.22 -0.69 0.00 0.00 174.62 175.50 1c89 s LEU 125 N 1.16 4.35 -0.00 4.42 2.96 -0.78 -4.90 118.68 125.89 1c89 s LEU 125 Ca 0.53 2.40 0.06 0.00 -0.22 0.00 0.00 54.13 56.90 1c89 s LEU 125 Cb -0.23 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 1c89 s LEU 125 CO 0.27 -0.84 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.22 1c89 s MET 126 N 2.49 1.55 0.00 1.98 -1.94 -1.26 -1.05 119.30 121.06 1c89 s MET 126 Ca 0.71 -0.74 0.22 0.00 -1.71 0.00 0.00 55.69 54.17 1c89 s MET 126 Cb -0.38 -1.52 1.30 0.00 2.01 0.00 0.00 34.83 36.24 1c89 s MET 126 CO 0.31 0.41 1.71 -0.35 -0.01 0.00 0.00 175.02 177.09 1c89 n PRO 127 N 2.45 0.64 -0.01 2.03 -0.04 -1.26 -2.90 135.00 135.92 1c89 n PRO 127 Ca -0.15 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 1c89 n PRO 127 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1c89 n PRO 127 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1c89 h ASP 128 N 0.00 0.01 0.67 3.54 3.32 -2.00 -3.36 116.42 118.59 1c89 h ASP 128 Ca 0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1c89 h ASP 128 Cb 0.03 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1c89 h ASP 128 CO 0.00 1.01 -1.43 1.15 -1.72 0.00 0.00 179.24 178.26 1c89 n MET 129 N -3.10 0.62 -2.71 3.56 0.00 -1.14 -4.71 117.12 109.63 1c89 n MET 129 Ca -0.14 0.14 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1c89 n MET 129 Cb 1.03 -1.77 -0.03 0.00 0.00 0.00 0.00 33.22 32.45 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1c89 s VAL 130 N -3.06 4.12 -1.11 3.17 1.01 -1.18 -4.21 120.40 119.13 1c89 s VAL 130 Ca -0.03 -0.38 0.19 0.00 0.00 0.00 0.00 61.98 61.76 1c89 s VAL 130 Cb 0.09 -4.85 0.21 0.00 0.00 0.00 0.00 36.38 31.83 1c89 s VAL 130 CO 0.82 -1.69 1.62 0.29 0.00 0.00 0.00 175.10 176.14 1c89 n LYS 131 N 8.29 0.07 -0.76 2.72 4.76 -1.26 -2.62 118.16 129.36 1c89 n LYS 131 Ca 0.10 0.15 0.05 0.00 -2.87 0.00 0.00 58.31 55.73 1c89 n LYS 131 Cb 0.48 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.45 4.87 -2.97 4.39 3.02 -1.26 -4.95 115.26 116.91 1c89 n ASN 132 Ca 0.06 -2.79 -0.14 0.00 -0.03 0.00 0.00 54.58 51.67 1c89 n ASN 132 Cb 0.21 -0.66 0.11 0.00 -0.61 0.00 0.00 39.78 38.83 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 n TYR 133 N 0.46 -3.74 0.75 3.10 9.36 -1.08 -5.09 117.16 120.92 1c89 n TYR 133 Ca 0.24 -0.53 0.09 0.00 3.32 0.00 0.00 57.90 61.02 1c89 n TYR 133 Cb 1.05 -0.53 0.08 0.00 -0.63 0.00 0.00 39.34 39.31 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47