#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 -1.13 -2.06 -3.83 2.85 -1.26 -4.96 118.16 107.77 1c89 n LYS 2 Ca 0.00 -0.49 -0.37 0.00 -1.05 0.00 0.00 58.31 56.40 1c89 n LYS 2 Cb 0.00 -0.41 0.02 0.00 -0.65 0.00 0.00 35.03 33.99 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c89 s ALA 3 N -3.36 2.77 0.47 0.58 0.00 -1.26 -4.68 121.76 116.28 1c89 s ALA 3 Ca 0.19 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.24 1c89 s ALA 3 Cb -0.01 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1c89 s ALA 3 CO 0.14 -1.01 0.03 0.45 0.00 0.00 0.00 175.76 175.37 1c89 s SER 4 N -1.37 4.06 -0.78 0.00 0.15 -0.04 -4.62 113.70 111.11 1c89 s SER 4 Ca 0.71 -1.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 1c89 s SER 4 Cb -0.32 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1c89 s SER 4 CO 0.37 -0.69 1.22 -0.69 1.20 0.00 0.00 173.24 174.65 1c89 s VAL 5 N -2.80 3.95 -0.22 4.45 1.01 -0.48 -2.22 120.40 124.09 1c89 s VAL 5 Ca 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1c89 s VAL 5 Cb 0.05 -4.88 0.04 0.00 0.00 0.00 0.00 36.38 31.59 1c89 s VAL 5 CO 0.10 -1.76 -0.15 -0.69 0.00 0.00 0.00 175.10 172.61 1c89 s VAL 6 N 5.04 2.13 0.05 2.92 1.01 -0.92 -1.77 120.40 128.86 1c89 s VAL 6 Ca 0.33 -1.31 -0.36 0.00 0.00 0.00 0.00 61.98 60.65 1c89 s VAL 6 Cb -0.09 -2.09 -0.15 0.00 0.00 0.00 0.00 36.38 34.05 1c89 s VAL 6 CO 0.08 0.24 1.50 0.00 0.00 0.00 0.00 175.10 176.92 1c89 n ALA 7 N 4.52 -0.04 0.02 5.51 0.00 0.14 -3.26 120.51 127.41 1c89 n ALA 7 Ca -0.17 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.55 1c89 n ALA 7 Cb 0.46 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 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 5.62 0.37 -2.49 0.00 -0.00 -1.86 0.51 115.58 117.73 1c89 h ASN 8 Ca -0.47 -0.71 -0.45 0.00 -0.00 0.00 0.00 56.30 54.67 1c89 h ASN 8 Cb 1.30 -0.12 0.06 0.00 -0.00 0.00 0.00 38.32 39.57 1c89 h ASN 8 CO 0.84 1.63 0.04 0.00 -0.00 0.00 0.00 177.43 179.94 1c89 s GLN 9 N -2.58 2.20 -0.11 6.67 -2.07 -1.26 -2.49 119.66 120.01 1c89 s GLN 9 Ca -0.16 -0.86 -0.20 0.00 -1.82 0.00 0.00 55.36 52.32 1c89 s GLN 9 Cb 0.07 -2.40 -0.04 0.00 -1.09 0.00 0.00 33.01 29.55 1c89 s GLN 9 CO 0.81 -1.03 0.57 -1.17 -1.32 0.00 0.00 175.29 173.15 1c89 s LEU 10 N -4.94 4.27 -0.02 2.60 0.20 -1.26 -4.26 118.68 115.26 1c89 s LEU 10 Ca 0.61 0.93 0.03 0.00 0.69 0.00 0.00 54.13 56.39 1c89 s LEU 10 Cb -0.09 -2.84 -0.03 0.00 -0.43 0.00 0.00 46.19 42.80 1c89 s LEU 10 CO 0.41 -0.08 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.68 1c89 s ILE 11 N 0.88 3.55 0.00 6.68 -1.09 0.16 -4.95 121.20 126.42 1c89 s ILE 11 Ca 0.30 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1c89 s ILE 11 Cb -0.16 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 1c89 s ILE 11 CO 0.13 0.46 0.00 -0.81 -1.23 0.00 0.00 174.94 173.49 1c89 n PRO 12 N 1.79 0.54 -3.02 2.79 -0.04 -1.26 0.11 135.00 135.91 1c89 n PRO 12 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 1c89 n PRO 12 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.29 4.78 -0.63 0.52 1.09 -1.26 -3.89 121.20 121.52 1c89 s ILE 13 Ca 0.00 0.68 -0.17 0.00 -1.10 0.00 0.00 60.65 60.06 1c89 s ILE 13 Cb 0.00 -3.68 0.02 0.00 -1.06 0.00 0.00 42.46 37.74 1c89 s ILE 13 CO 0.00 -0.36 0.64 0.59 -0.10 0.00 0.00 174.94 175.71 1c89 n ASN 14 N -0.88 -5.84 -3.79 3.58 3.02 -0.73 -4.91 115.26 105.71 1c89 n ASN 14 Ca 0.02 -0.37 -0.16 0.00 -0.03 0.00 0.00 54.58 54.04 1c89 n ASN 14 Cb 0.54 -2.57 -0.16 0.00 -0.61 0.00 0.00 39.78 36.97 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 -2.38 0.04 -0.21 3.41 2.01 -1.26 -4.82 115.64 112.43 1c89 s THR 15 Ca 0.18 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1c89 s THR 15 Cb -0.02 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.31 1c89 s THR 15 CO 0.86 0.12 1.34 0.00 -0.69 0.00 0.00 174.62 176.24 1c89 s ALA 16 N 1.11 3.51 0.49 7.40 0.00 -1.21 -3.87 121.76 129.19 1c89 s ALA 16 Ca -0.09 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1c89 s ALA 16 Cb -0.13 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 1c89 s ALA 16 CO -0.02 -1.48 1.10 -0.51 0.00 0.00 0.00 175.76 174.84 1c89 s LEU 17 N 4.03 3.87 0.00 0.00 1.43 -1.08 -4.59 118.68 122.34 1c89 s LEU 17 Ca 0.58 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1c89 s LEU 17 Cb -0.21 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.54 1c89 s LEU 17 CO 0.20 -0.95 0.01 0.35 0.23 0.00 0.00 176.35 176.19 1c89 n THR 18 N -0.92 0.00 0.00 5.49 -2.24 -1.26 0.23 114.28 115.59 1c89 n THR 18 Ca 0.09 -1.35 -0.05 0.00 -2.27 0.00 0.00 64.05 60.47 1c89 n THR 18 Cb 0.51 0.29 0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.54 -0.70 3.22 -0.00 -1.97 -2.62 115.31 113.78 1c89 h LEU 19 Ca -0.23 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.38 1c89 h LEU 19 Cb 0.72 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1c89 h LEU 19 CO 0.39 0.83 0.23 0.40 -0.00 0.00 0.00 178.44 180.29 1c89 h ILE 20 N 0.45 1.25 -0.01 1.22 5.03 -2.02 -1.66 117.51 121.77 1c89 h ILE 20 Ca 0.05 -0.86 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 1c89 h ILE 20 Cb 0.78 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1c89 h ILE 20 CO 0.06 0.34 0.00 0.23 -0.68 0.00 0.00 178.15 178.10 1c89 n MET 21 N -4.31 1.08 -3.58 2.37 2.81 -1.13 -4.64 117.12 109.72 1c89 n MET 21 Ca 0.05 -0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1c89 n MET 21 Cb 0.21 -1.42 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -1.99 2.71 -0.26 0.03 0.00 -0.63 -3.43 119.30 115.73 1c89 s MET 22 Ca 0.39 -1.34 -0.05 0.00 0.00 0.00 0.00 55.69 54.70 1c89 s MET 22 Cb 0.18 -3.80 0.01 0.00 0.00 0.00 0.00 34.83 31.22 1c89 s MET 22 CO 0.31 -0.89 0.01 0.15 0.00 0.00 0.00 175.02 174.59 1c89 s LYS 23 N 1.49 3.15 -1.23 4.11 -0.14 -1.20 -4.93 119.74 120.98 1c89 s LYS 23 Ca 0.03 -0.79 -0.18 0.00 -1.36 0.00 0.00 55.97 53.66 1c89 s LYS 23 Cb -0.22 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 32.76 1c89 s LYS 23 CO 0.04 -0.34 1.96 0.00 -0.76 0.00 0.00 175.35 176.25 1c89 n ALA 24 N 4.80 3.81 -2.85 5.17 0.00 -1.25 -2.17 120.51 128.02 1c89 n ALA 24 Ca -0.16 -3.61 -0.29 0.00 0.00 0.00 0.00 53.44 49.37 1c89 n ALA 24 Cb 0.49 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.32 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 4.46 3.13 -0.63 0.00 2.12 -0.94 -4.47 118.70 122.35 1c89 s GLU 25 Ca 0.55 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 1c89 s GLU 25 Cb 0.08 -2.84 0.07 0.00 0.26 0.00 0.00 34.13 31.69 1c89 s GLU 25 CO 0.05 0.56 0.94 0.08 -0.54 0.00 0.00 175.26 176.35 1c89 s VAL 26 N -1.52 4.36 0.00 3.70 1.01 -1.26 -0.86 120.40 125.82 1c89 s VAL 26 Ca 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1c89 s VAL 26 Cb -0.12 -4.64 -0.00 0.00 0.00 0.00 0.00 36.38 31.61 1c89 s VAL 26 CO 0.25 -1.37 0.09 0.68 0.00 0.00 0.00 175.10 174.74 1c89 s VAL 27 N 3.98 0.08 0.04 2.92 -7.23 -1.26 -5.00 120.40 113.93 1c89 s VAL 27 Ca 0.23 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1c89 s VAL 27 Cb -0.16 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1c89 s VAL 27 CO 0.12 -0.37 0.14 0.28 -0.31 0.00 0.00 175.10 174.96 1c89 s THR 28 N -1.22 5.03 0.42 5.32 -1.32 -1.26 -3.08 115.64 119.52 1c89 s THR 28 Ca -0.13 -0.46 -0.23 0.00 -1.21 0.00 0.00 61.69 59.66 1c89 s THR 28 Cb -0.07 -3.40 -0.09 0.00 -1.51 0.00 0.00 72.50 67.43 1c89 s THR 28 CO 0.01 0.21 1.03 -2.16 -2.21 0.00 0.00 174.62 171.49 1c89 s PRO 29 N -2.23 4.10 -0.75 7.08 0.04 -1.26 -5.05 135.00 136.92 1c89 s PRO 29 Ca 0.30 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1c89 s PRO 29 Cb -0.13 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1c89 s PRO 29 CO 0.22 -0.18 1.74 0.00 0.04 0.00 0.00 177.00 178.82 1c89 s MET 30 N -2.75 2.81 0.00 4.56 0.23 -1.18 -4.95 119.30 118.02 1c89 s MET 30 Ca 0.60 0.05 0.00 0.00 -1.03 0.00 0.00 55.69 55.31 1c89 s MET 30 Cb -0.19 -4.63 0.00 0.00 -1.53 0.00 0.00 34.83 28.49 1c89 s MET 30 CO 0.23 -2.75 0.00 0.41 -2.03 0.00 0.00 175.02 170.89 1c89 n GLY 31 N 6.07 -2.26 3.70 3.16 0.00 -1.26 -4.86 105.19 109.74 1c89 n GLY 31 Ca 0.24 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 5.04 0.00 -0.61 1.01 -0.89 -4.90 121.20 120.85 1c89 s ILE 32 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1c89 s ILE 32 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1c89 s ILE 32 CO 0.00 0.20 0.00 -0.81 0.00 0.00 0.00 174.94 174.33 1c89 n PRO 33 N 4.22 0.31 -0.57 2.79 -0.04 -1.26 -1.38 135.00 139.06 1c89 n PRO 33 Ca -0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1c89 n PRO 33 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.00 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N -3.00 4.12 -0.95 0.55 0.00 -1.26 -4.31 120.51 115.67 1c89 n ALA 34 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1c89 n ALA 34 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1c89 n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1c89 n GLU 35 N 0.44 0.00 -0.39 0.00 1.02 -1.26 -3.86 120.64 116.59 1c89 n GLU 35 Ca 0.18 0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1c89 n GLU 35 Cb 0.68 -0.85 0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1c89 n GLU 35 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1c89 n GLU 36 N -0.58 1.70 -0.31 3.49 0.00 -1.26 -4.53 120.64 119.15 1c89 n GLU 36 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 57.16 56.13 1c89 n GLU 36 Cb 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 31.44 30.00 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1c89 h ILE 37 N 0.65 0.10 0.00 3.84 1.08 -1.84 2.21 117.51 123.55 1c89 h ILE 37 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1c89 h ILE 37 Cb 1.45 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1c89 h ILE 37 CO 0.32 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.97 1c89 n PRO 38 N -5.51 0.47 -0.06 2.37 -0.04 -1.26 -1.23 135.00 129.73 1c89 n PRO 38 Ca 0.11 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1c89 n PRO 38 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.07 1.70 -0.35 3.54 2.85 0.73 -4.60 115.26 118.05 1c89 n ASN 39 Ca 0.12 0.28 0.10 0.00 -0.11 0.00 0.00 54.58 54.97 1c89 n ASN 39 Cb 0.08 -0.65 0.44 0.00 1.24 0.00 0.00 39.78 40.89 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1c89 n LEU 40 N -4.19 1.06 -4.62 1.20 -0.00 -0.12 -4.92 117.00 105.41 1c89 n LEU 40 Ca -0.11 -0.44 -0.37 0.00 -0.00 0.00 0.00 56.01 55.09 1c89 n LEU 40 Cb 0.40 -0.06 0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1c89 n LEU 40 CO 0.16 0.22 0.56 0.52 -0.00 0.00 0.00 177.39 178.85 1c89 n VAL 41 N -0.08 3.63 -1.11 1.47 0.31 -0.36 -1.56 118.33 120.63 1c89 n VAL 41 Ca 0.15 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.98 1c89 n VAL 41 Cb 0.23 -1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 1.23 0.51 3.78 2.92 0.00 0.64 -4.81 105.19 109.47 1c89 n GLY 42 Ca 0.14 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1c89 n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -1.83 2.71 -0.15 1.61 0.00 -0.60 -3.93 119.30 117.10 1c89 s MET 43 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 55.69 56.87 1c89 s MET 43 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 34.83 32.84 1c89 s MET 43 CO 0.00 -1.30 0.20 -0.65 0.00 0.00 0.00 175.02 173.27 1c89 s GLN 44 N -4.35 4.02 0.49 3.16 -0.21 -1.26 -2.63 119.66 118.88 1c89 s GLN 44 Ca 0.65 -0.06 -0.05 0.00 0.02 0.00 0.00 55.36 55.92 1c89 s GLN 44 Cb -0.19 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 1c89 s GLN 44 CO 0.46 0.42 0.80 0.14 -2.12 0.00 0.00 175.29 174.99 1c89 s VAL 45 N -0.03 4.88 -0.82 1.09 -7.23 -1.25 -4.65 120.40 112.39 1c89 s VAL 45 Ca 0.13 0.23 0.25 0.00 -1.81 0.00 0.00 61.98 60.78 1c89 s VAL 45 Cb -0.12 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 33.00 1c89 s VAL 45 CO 0.02 -0.86 1.40 0.59 -0.31 0.00 0.00 175.10 175.95 1c89 n ASN 46 N -2.29 0.56 -4.17 4.85 4.13 -1.01 -1.77 115.26 115.56 1c89 n ASN 46 Ca 0.01 -0.01 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1c89 n ASN 46 Cb 0.55 0.16 -0.10 0.00 -1.54 0.00 0.00 39.78 38.85 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 47 N -3.08 1.09 0.35 3.52 0.52 -1.26 -4.78 118.95 115.30 1c89 s ARG 47 Ca 0.09 -1.53 -0.28 0.00 -0.52 0.00 0.00 55.73 53.49 1c89 s ARG 47 Cb 0.16 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.79 1c89 s ARG 47 CO 0.70 -0.34 1.27 0.00 0.02 0.00 0.00 175.30 176.95 1c89 s ALA 48 N -4.10 3.41 -0.23 2.13 0.00 -1.26 -4.51 121.76 117.20 1c89 s ALA 48 Ca 0.32 1.19 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1c89 s ALA 48 Cb 0.07 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1c89 s ALA 48 CO 0.07 -0.62 0.10 0.08 0.00 0.00 0.00 175.76 175.40 1c89 s VAL 49 N -1.19 4.85 0.61 0.00 1.01 0.31 -4.96 120.40 121.03 1c89 s VAL 49 Ca 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1c89 s VAL 49 Cb -0.38 -3.24 0.15 0.00 0.00 0.00 0.00 36.38 32.91 1c89 s VAL 49 CO 0.50 0.37 0.61 -0.81 0.00 0.00 0.00 175.10 175.77 1c89 n PRO 50 N 4.31 -1.70 -2.71 2.72 -0.04 -1.26 0.36 135.00 136.67 1c89 n PRO 50 Ca -0.16 -0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 1c89 n PRO 50 Cb 0.52 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 33.13 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 4.25 -0.08 1.53 1.43 -1.26 -3.51 118.68 121.04 1c89 s LEU 51 Ca 0.38 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1c89 s LEU 51 Cb -0.03 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1c89 s LEU 51 CO 0.28 -0.42 0.03 0.61 0.23 0.00 0.00 176.35 177.09 1c89 n GLY 52 N 3.11 0.64 3.69 -3.19 0.00 0.16 -4.97 105.19 104.63 1c89 n GLY 52 Ca 0.08 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.60 4.99 0.59 2.61 2.01 -0.08 -4.76 115.64 118.40 1c89 s THR 53 Ca 0.02 1.44 -0.15 0.00 0.31 0.00 0.00 61.69 63.31 1c89 s THR 53 Cb -0.01 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1c89 s THR 53 CO 0.02 0.16 1.05 0.28 -0.69 0.00 0.00 174.62 175.43 1c89 s THR 54 N 1.43 3.93 -0.75 -0.82 -1.32 -1.26 0.25 115.64 117.11 1c89 s THR 54 Ca 0.36 0.89 -0.26 0.00 -1.21 0.00 0.00 61.69 61.47 1c89 s THR 54 Cb -0.17 -3.43 -0.01 0.00 -1.51 0.00 0.00 72.50 67.38 1c89 s THR 54 CO 0.15 -0.56 1.72 -0.22 -2.21 0.00 0.00 174.62 173.49 1c89 s LEU 55 N -4.53 3.26 -0.15 9.08 1.98 -0.73 -4.84 118.68 122.75 1c89 s LEU 55 Ca 0.62 -0.25 -0.08 0.00 -2.89 0.00 0.00 54.13 51.53 1c89 s LEU 55 Cb -0.15 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.11 1c89 s LEU 55 CO 0.38 -2.27 0.13 -0.04 -1.89 0.00 0.00 176.35 172.66 1c89 s MET 56 N 6.55 3.72 0.23 1.98 -1.94 -1.26 -2.09 119.30 126.50 1c89 s MET 56 Ca 0.59 -0.18 0.24 0.00 -1.71 0.00 0.00 55.69 54.63 1c89 s MET 56 Cb -0.09 -3.26 0.93 0.00 2.01 0.00 0.00 34.83 34.41 1c89 s MET 56 CO 0.11 0.59 1.72 -0.35 -0.01 0.00 0.00 175.02 177.08 1c89 n PRO 57 N 2.60 0.20 0.12 2.03 -0.04 -1.26 -2.88 135.00 135.77 1c89 n PRO 57 Ca -0.18 0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1c89 n PRO 57 Cb 0.54 -1.83 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 1c89 n PRO 57 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 58 N 0.00 0.13 -0.53 3.54 3.58 -1.97 -2.97 116.42 118.20 1c89 h ASP 58 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1c89 h ASP 58 Cb 0.46 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1c89 h ASP 58 CO 0.00 0.63 0.00 0.23 -2.88 0.00 0.00 179.24 177.22 1c89 n MET 59 N -3.93 2.65 -4.81 0.28 2.81 -1.14 -4.91 117.12 108.07 1c89 n MET 59 Ca -0.02 -2.35 -0.33 0.00 -1.81 0.00 0.00 57.70 53.19 1c89 n MET 59 Cb 0.54 -1.45 -0.16 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.07 2.54 0.00 2.03 1.01 -1.12 -2.40 120.40 121.39 1c89 s VAL 60 Ca 0.38 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1c89 s VAL 60 Cb 0.20 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1c89 s VAL 60 CO 0.27 0.53 0.00 1.17 0.00 0.00 0.00 175.10 177.07 1c89 n LYS 61 N 3.75 1.95 -2.18 2.72 0.00 -1.26 -4.65 118.16 118.49 1c89 n LYS 61 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.80 1c89 n LYS 61 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.51 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1c89 n ASN 62 N 0.00 3.53 0.00 3.14 5.15 -1.26 -4.87 115.26 120.95 1c89 n ASN 62 Ca 0.00 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 1c89 n ASN 62 Cb 0.00 -1.74 0.00 0.00 -0.53 0.00 0.00 39.78 37.51 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 n TYR 63 N 12.83 0.00 -1.35 1.20 0.18 -1.26 -4.81 117.16 123.95 1c89 n TYR 63 Ca 0.46 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.24 1c89 n TYR 63 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 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 3.98 -1.58 -3.48 -0.58 -1.26 -4.96 120.64 112.77 1c89 n GLU 64 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1c89 n GLU 64 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1c89 n ASP 65 N 0.00 7.54 0.21 1.62 8.00 -1.26 -4.55 116.55 128.11 1c89 n ASP 65 Ca 0.00 -2.91 0.08 0.00 0.71 0.00 0.00 54.79 52.66 1c89 n ASP 65 Cb 0.00 -1.40 0.42 0.00 -0.02 0.00 0.00 41.12 40.13 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 5.54 0.00 -5.15 0.44 0.00 -1.98 -3.42 103.07 98.50 1c89 h GLY 66 Ca 0.62 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.33 1c89 h GLY 66 CO 1.27 0.00 -0.24 -0.51 0.00 0.00 0.00 176.54 177.06 1c89 s THR 67 N -3.71 5.10 -0.19 4.70 -4.23 -1.26 -4.99 115.64 111.06 1c89 s THR 67 Ca -0.00 0.76 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1c89 s THR 67 Cb 0.11 -3.68 -0.12 0.00 1.34 0.00 0.00 72.50 70.15 1c89 s THR 67 CO 0.66 0.56 -0.18 1.07 -0.54 0.00 0.00 174.62 176.20 1c89 n THR 68 N 2.01 1.10 -2.77 3.99 5.66 -1.26 -4.88 114.28 118.13 1c89 n THR 68 Ca -0.14 -0.41 -0.43 0.00 -3.05 0.00 0.00 64.05 60.02 1c89 n THR 68 Cb 0.53 -1.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.05 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 -5.93 6.57 0.00 1.09 0.01 -1.26 -4.96 113.70 109.22 1c89 s SER 69 Ca -0.26 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1c89 s SER 69 Cb 0.07 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1c89 s SER 69 CO 0.44 -1.05 0.01 -0.81 0.41 0.00 0.00 173.24 172.24 1c89 n PRO 70 N 7.22 0.00 0.00 12.44 -0.04 -1.26 -4.76 135.00 148.60 1c89 n PRO 70 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1c89 n PRO 70 Cb 0.48 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 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 1.96 0.43 2.40 0.55 0.00 -1.26 -3.65 105.19 105.62 1c89 n GLY 71 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 46.02 46.47 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 6.74 -4.66 0.99 4.77 -1.26 -4.93 117.00 118.65 1c89 n LEU 72 Ca 0.00 -4.13 -0.41 0.00 -0.03 0.00 0.00 56.01 51.44 1c89 n LEU 72 Cb 0.00 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 39.74 1c89 n LEU 72 CO 0.00 1.82 0.55 -1.59 -1.33 0.00 0.00 177.39 176.84 1c89 s LYS 73 N -0.99 4.23 0.38 3.23 -2.85 -1.24 -4.14 119.74 118.35 1c89 s LYS 73 Ca 0.60 0.86 0.08 0.00 -1.00 0.00 0.00 55.97 56.51 1c89 s LYS 73 Cb 0.32 -3.60 -0.04 0.00 -2.06 0.00 0.00 37.83 32.45 1c89 s LYS 73 CO -0.15 -0.37 0.20 0.45 0.10 0.00 0.00 175.35 175.58 1c89 s SER 74 N 1.24 4.69 -0.14 0.03 0.15 -0.36 -4.56 113.70 114.76 1c89 s SER 74 Ca 0.34 -0.85 -0.29 0.00 0.70 0.00 0.00 55.95 55.85 1c89 s SER 74 Cb -0.16 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1c89 s SER 74 CO 0.10 -0.44 1.08 -0.69 1.20 0.00 0.00 173.24 174.49 1c89 s VAL 75 N -2.48 4.60 0.01 4.45 1.01 -1.04 -0.82 120.40 126.12 1c89 s VAL 75 Ca 0.41 1.90 0.06 0.00 0.00 0.00 0.00 61.98 64.35 1c89 s VAL 75 Cb -0.01 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1c89 s VAL 75 CO 0.24 -0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.38 1c89 s VAL 76 N 2.58 1.56 -1.04 2.92 1.01 -0.48 -1.56 120.40 125.40 1c89 s VAL 76 Ca 0.49 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1c89 s VAL 76 Cb -0.19 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.93 1c89 s VAL 76 CO 0.15 0.35 1.45 0.00 0.00 0.00 0.00 175.10 177.04 1c89 s ALA 77 N -0.58 2.82 0.55 5.51 0.00 0.13 -0.53 121.76 129.66 1c89 s ALA 77 Ca 0.07 -2.36 0.24 0.00 0.00 0.00 0.00 51.96 49.91 1c89 s ALA 77 Cb -0.08 -4.50 1.48 0.00 0.00 0.00 0.00 23.12 20.02 1c89 s ALA 77 CO 0.00 -3.54 2.11 -0.97 0.00 0.00 0.00 175.76 173.36 1c89 h ASN 78 N 9.54 0.00 -0.43 0.00 -0.73 -1.78 -0.72 115.58 121.46 1c89 h ASN 78 Ca 0.22 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.80 1c89 h ASN 78 Cb 1.00 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.54 1c89 h ASN 78 CO 1.41 0.00 -0.27 -1.10 -0.37 0.00 0.00 177.43 177.09 1c89 s GLN 79 N -4.88 2.23 0.09 6.67 -0.21 -1.26 -2.85 119.66 119.46 1c89 s GLN 79 Ca -0.05 -2.05 -0.27 0.00 0.02 0.00 0.00 55.36 53.01 1c89 s GLN 79 Cb 0.17 -2.11 -0.06 0.00 1.00 0.00 0.00 33.01 32.01 1c89 s GLN 79 CO 0.64 -0.70 0.83 -1.17 -2.12 0.00 0.00 175.29 172.76 1c89 s LEU 80 N -4.34 4.50 -0.24 2.90 1.98 -1.26 -4.08 118.68 118.14 1c89 s LEU 80 Ca 0.34 1.59 0.02 0.00 -2.89 0.00 0.00 54.13 53.19 1c89 s LEU 80 Cb -0.03 -3.35 0.06 0.00 0.66 0.00 0.00 46.19 43.53 1c89 s LEU 80 CO 0.21 0.04 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.99 1c89 s ILE 81 N -0.29 1.84 0.43 6.68 -1.09 -0.94 -4.98 121.20 122.85 1c89 s ILE 81 Ca 0.40 -1.38 -0.23 0.00 -2.23 0.00 0.00 60.65 57.22 1c89 s ILE 81 Cb -0.22 -2.00 -0.08 0.00 -1.58 0.00 0.00 42.46 38.57 1c89 s ILE 81 CO 0.26 -0.02 1.09 -2.16 -1.23 0.00 0.00 174.94 172.87 1c89 s PRO 82 N 1.26 3.96 0.45 2.79 0.04 -1.26 -0.45 135.00 141.78 1c89 s PRO 82 Ca -0.06 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 1c89 s PRO 82 Cb -0.19 -2.43 -0.14 0.00 0.04 0.00 0.00 34.50 31.78 1c89 s PRO 82 CO -0.06 -0.34 0.13 -0.89 0.04 0.00 0.00 177.00 175.88 1c89 n ILE 83 N -0.35 0.75 -3.22 0.56 5.41 -1.26 -3.27 119.36 117.99 1c89 n ILE 83 Ca 0.06 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.20 1c89 n ILE 83 Cb 0.49 -0.13 0.01 0.00 -0.71 0.00 0.00 39.64 39.30 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 2.09 -6.95 -3.47 4.38 5.03 0.40 -4.98 115.26 111.75 1c89 n ASN 84 Ca 0.10 -0.12 -0.23 0.00 0.87 0.00 0.00 54.58 55.20 1c89 n ASN 84 Cb 0.42 -4.14 -0.12 0.00 -1.02 0.00 0.00 39.78 34.92 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 85 N -2.72 -0.24 -0.83 3.41 2.01 -1.20 -4.85 115.64 111.23 1c89 s THR 85 Ca 0.11 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.29 1c89 s THR 85 Cb -0.02 -0.97 -0.20 0.00 0.01 0.00 0.00 72.50 71.33 1c89 s THR 85 CO 0.80 -0.58 2.36 0.00 -0.69 0.00 0.00 174.62 176.51 1c89 n ALA 86 N 5.28 0.63 -2.36 7.40 0.00 -1.25 -4.15 120.51 126.05 1c89 n ALA 86 Ca -0.04 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 52.01 1c89 n ALA 86 Cb 0.44 -2.94 -0.05 0.00 0.00 0.00 0.00 19.45 16.91 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 9.72 4.07 0.00 0.00 2.34 -0.99 -4.69 118.68 129.13 1c89 s LEU 87 Ca 1.09 0.96 0.04 0.00 0.06 0.00 0.00 54.13 56.28 1c89 s LEU 87 Cb -0.44 -3.76 -0.02 0.00 -0.56 0.00 0.00 46.19 41.41 1c89 s LEU 87 CO 0.28 -0.18 0.15 0.35 -1.06 0.00 0.00 176.35 175.89 1c89 n THR 88 N -0.55 0.00 -0.26 5.48 -2.24 -1.26 0.20 114.28 115.65 1c89 n THR 88 Ca 0.01 -2.43 0.33 0.00 -2.27 0.00 0.00 64.05 59.69 1c89 n THR 88 Cb 0.53 0.87 0.72 0.00 -2.10 0.00 0.00 70.33 70.34 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 0.19 3.22 -0.00 -1.94 0.56 115.31 117.35 1c89 h LEU 89 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1c89 h LEU 89 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1c89 h LEU 89 CO 0.52 0.00 -0.09 0.58 -0.00 0.00 0.00 178.44 179.44 1c89 h VAL 90 N 0.00 0.87 0.00 0.15 2.07 -2.02 -2.85 116.25 114.48 1c89 h VAL 90 Ca 0.51 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1c89 h VAL 90 Cb 2.23 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1c89 h VAL 90 CO -0.01 0.08 -0.11 0.24 0.02 0.00 0.00 177.57 177.79 1c89 h MET 91 N -0.42 0.00 -5.40 1.57 2.86 -1.33 -3.43 114.93 108.77 1c89 h MET 91 Ca -0.03 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 56.99 1c89 h MET 91 Cb 0.33 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.86 1c89 h MET 91 CO 0.04 0.11 -0.52 -1.64 1.06 0.00 0.00 176.91 175.96 1c89 s MET 92 N -3.46 3.87 -0.16 1.72 1.00 -0.35 -3.30 119.30 118.61 1c89 s MET 92 Ca 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.46 1c89 s MET 92 Cb 0.08 -3.25 0.03 0.00 0.00 0.00 0.00 34.83 31.69 1c89 s MET 92 CO 0.62 0.42 -0.14 0.15 0.00 0.00 0.00 175.02 176.08 1c89 s LYS 93 N -0.02 2.32 -0.67 2.03 -0.14 0.31 -4.67 119.74 118.89 1c89 s LYS 93 Ca 0.08 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.77 1c89 s LYS 93 Cb -0.12 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.79 1c89 s LYS 93 CO 0.00 -0.28 1.77 0.00 -0.76 0.00 0.00 175.35 176.08 1c89 s ALA 94 N 1.44 2.22 0.16 5.17 0.00 -1.26 -1.38 121.76 128.12 1c89 s ALA 94 Ca 0.04 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1c89 s ALA 94 Cb -0.14 -4.33 -0.04 0.00 0.00 0.00 0.00 23.12 18.61 1c89 s ALA 94 CO -0.10 -3.90 -0.25 -1.21 0.00 0.00 0.00 175.76 170.30 1c89 s GLU 95 N 6.78 1.45 -0.88 0.00 0.41 0.00 -4.72 118.70 121.74 1c89 s GLU 95 Ca 0.62 -1.43 -0.24 0.00 -0.41 0.00 0.00 54.97 53.51 1c89 s GLU 95 Cb -0.11 -1.84 0.06 0.00 -1.78 0.00 0.00 34.13 30.45 1c89 s GLU 95 CO 0.17 0.42 1.30 -2.00 -0.49 0.00 0.00 175.26 174.66 1c89 s GLU 96 N -2.37 3.41 0.08 1.61 -6.30 -1.26 -1.22 118.70 112.66 1c89 s GLU 96 Ca 0.17 -0.90 -0.03 0.00 -2.50 0.00 0.00 54.97 51.71 1c89 s GLU 96 Cb -0.09 -4.81 -0.03 0.00 0.00 0.00 0.00 34.13 29.20 1c89 s GLU 96 CO 0.08 -2.09 0.06 0.54 0.02 0.00 0.00 175.26 173.87 1c89 s VAL 97 N 4.82 0.17 0.12 3.70 0.11 -1.26 -4.90 120.40 123.16 1c89 s VAL 97 Ca 0.38 -1.64 0.06 0.00 -2.93 0.00 0.00 61.98 57.85 1c89 s VAL 97 Cb -0.05 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1c89 s VAL 97 CO 0.00 -0.76 -0.01 -0.44 -3.33 0.00 0.00 175.10 170.56 1c89 s SER 98 N -2.93 4.88 0.92 3.54 0.01 -1.26 -3.98 113.70 114.88 1c89 s SER 98 Ca 0.11 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.96 1c89 s SER 98 Cb 0.07 -1.10 0.15 0.00 0.21 0.00 0.00 66.02 65.35 1c89 s SER 98 CO -0.07 0.14 1.18 -2.16 0.41 0.00 0.00 173.24 172.75 1c89 s PRO 99 N -2.53 1.05 -0.78 12.44 0.04 -1.26 -4.95 135.00 139.01 1c89 s PRO 99 Ca 0.26 0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.18 1c89 s PRO 99 Cb -0.11 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1c89 s PRO 99 CO 0.18 -2.22 0.89 0.21 0.04 0.00 0.00 177.00 176.10 1c89 s LYS 100 N -5.50 3.39 0.00 4.56 2.36 -1.26 -4.96 119.74 118.34 1c89 s LYS 100 Ca 0.66 -1.73 0.00 0.00 -2.55 0.00 0.00 55.97 52.35 1c89 s LYS 100 Cb -0.11 -4.54 0.00 0.00 -1.05 0.00 0.00 37.83 32.13 1c89 s LYS 100 CO 0.52 -1.58 0.00 0.41 1.55 0.00 0.00 175.35 176.25 1c89 n GLY 101 N 5.04 0.03 3.28 5.54 0.00 -1.26 -4.91 105.19 112.92 1c89 n GLY 101 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 2.68 0.21 -0.61 1.01 -0.40 -4.96 121.20 119.14 1c89 s ILE 102 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1c89 s ILE 102 Cb 0.00 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1c89 s ILE 102 CO 0.00 0.52 0.21 -0.81 0.00 0.00 0.00 174.94 174.86 1c89 n PRO 103 N 3.91 -1.10 -1.67 2.79 -0.04 -1.26 -2.50 135.00 135.12 1c89 n PRO 103 Ca -0.19 -0.33 -0.33 0.00 -0.04 0.00 0.00 63.50 62.60 1c89 n PRO 103 Cb 0.52 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1c89 n PRO 103 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1c89 n SER 104 N -3.29 7.07 0.05 3.54 7.64 -1.26 -4.49 113.62 122.88 1c89 n SER 104 Ca 0.03 -3.55 -0.01 0.00 1.01 0.00 0.00 58.87 56.35 1c89 n SER 104 Cb 0.11 -1.13 -0.07 0.00 -1.01 0.00 0.00 64.21 62.10 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1c89 h GLU 105 N 2.88 0.00 0.00 1.43 9.09 -1.98 -3.38 114.58 122.62 1c89 h GLU 105 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1c89 h GLU 105 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1c89 h GLU 105 CO 1.19 0.39 -0.41 0.39 0.05 0.00 0.00 179.01 180.63 1c89 n GLU 106 N -3.00 4.45 -0.18 1.06 1.02 -1.26 -4.62 120.64 118.12 1c89 n GLU 106 Ca -0.08 -0.01 0.29 0.00 -0.02 0.00 0.00 57.16 57.35 1c89 n GLU 106 Cb 0.85 -0.77 0.66 0.00 -0.02 0.00 0.00 31.44 32.17 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 0.00 0.24 -0.30 -3.67 6.09 -1.83 -0.35 117.51 117.70 1c89 h ILE 107 Ca 0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 1c89 h ILE 107 Cb 0.10 0.34 -0.08 0.00 0.47 0.00 0.00 36.82 37.66 1c89 h ILE 107 CO 0.00 0.00 -0.22 -1.28 -3.07 0.00 0.00 178.15 173.58 1c89 h SER 108 N 0.00 -0.73 1.01 2.19 0.87 -1.83 0.54 113.55 115.61 1c89 h SER 108 Ca 0.44 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1c89 h SER 108 Cb 2.17 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 64.49 1c89 h SER 108 CO -0.00 -0.26 -0.54 0.11 -0.53 0.00 0.00 176.83 175.61 1c89 h LYS 109 N -0.20 0.00 -0.47 2.24 1.57 -1.45 -3.27 116.57 115.00 1c89 h LYS 109 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1c89 h LYS 109 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1c89 h LYS 109 CO -0.42 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.74 1c89 n LEU 110 N -2.22 3.13 -4.70 2.94 4.77 -0.58 -4.91 117.00 115.43 1c89 n LEU 110 Ca 0.03 -1.46 -0.42 0.00 -0.03 0.00 0.00 56.01 54.14 1c89 n LEU 110 Cb 0.45 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1c89 n LEU 110 CO 0.36 0.73 1.37 -0.69 -1.33 0.00 0.00 177.39 177.83 1c89 s VAL 111 N -1.38 2.53 -0.49 4.08 1.01 0.18 -1.30 120.40 125.03 1c89 s VAL 111 Ca 0.39 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1c89 s VAL 111 Cb 0.21 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1c89 s VAL 111 CO 0.29 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1c89 n GLY 112 N 4.03 0.74 3.78 4.51 0.00 0.52 -4.91 105.19 113.85 1c89 n GLY 112 Ca 0.16 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.32 4.26 -0.15 1.61 0.00 -0.42 -4.32 119.30 117.97 1c89 s MET 113 Ca 0.00 1.54 -0.24 0.00 0.00 0.00 0.00 55.69 57.00 1c89 s MET 113 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 34.83 32.15 1c89 s MET 113 CO 0.00 -0.06 0.74 -0.65 0.00 0.00 0.00 175.02 175.05 1c89 s GLN 114 N -2.31 4.31 0.33 3.16 -0.21 -1.26 -2.34 119.66 121.34 1c89 s GLN 114 Ca 0.55 0.87 -0.12 0.00 0.02 0.00 0.00 55.36 56.69 1c89 s GLN 114 Cb -0.23 -3.54 -0.07 0.00 1.00 0.00 0.00 33.01 30.16 1c89 s GLN 114 CO 0.29 -0.20 0.70 0.54 -2.12 0.00 0.00 175.29 174.50 1c89 s VAL 115 N 1.72 4.79 -2.65 1.09 0.11 -1.26 -4.83 120.40 119.36 1c89 s VAL 115 Ca 0.36 0.68 0.22 0.00 -2.93 0.00 0.00 61.98 60.31 1c89 s VAL 115 Cb -0.17 -3.66 0.25 0.00 -1.53 0.00 0.00 36.38 31.28 1c89 s VAL 115 CO 0.13 -0.29 1.27 0.59 -3.33 0.00 0.00 175.10 173.47 1c89 n ASN 116 N -0.70 3.05 -4.48 3.54 4.13 -1.26 -0.45 115.26 119.09 1c89 n ASN 116 Ca 0.02 -1.95 -0.23 0.00 1.68 0.00 0.00 54.58 54.10 1c89 n ASN 116 Cb 0.53 -0.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.59 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c89 s ARG 117 N -1.73 1.68 0.28 3.52 1.81 -1.25 -4.70 118.95 118.55 1c89 s ARG 117 Ca 0.30 -1.86 -0.16 0.00 -1.72 0.00 0.00 55.73 52.28 1c89 s ARG 117 Cb 0.20 -1.38 -0.09 0.00 -0.45 0.00 0.00 34.95 33.24 1c89 s ARG 117 CO 0.29 0.06 0.72 0.00 -0.68 0.00 0.00 175.30 175.69 1c89 s ALA 118 N -2.86 3.38 0.01 2.13 0.00 -1.26 -4.01 121.76 119.15 1c89 s ALA 118 Ca 0.31 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1c89 s ALA 118 Cb 0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 1c89 s ALA 118 CO 0.14 0.34 -0.14 0.08 0.00 0.00 0.00 175.76 176.19 1c89 s VAL 119 N -1.79 1.08 0.00 0.00 1.01 0.40 -4.90 120.40 116.20 1c89 s VAL 119 Ca 0.49 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1c89 s VAL 119 Cb -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1c89 s VAL 119 CO 0.19 0.19 0.00 -1.22 0.00 0.00 0.00 175.10 174.26 1c89 n TYR 120 N 2.44 -2.07 0.00 5.22 4.01 -1.26 -2.21 117.16 123.29 1c89 n TYR 120 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 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 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.35 7.72 7.99 -1.26 -3.99 117.00 123.12 1c89 n LEU 121 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 1c89 n LEU 121 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 1c89 n LEU 121 CO 0.00 0.00 1.52 0.47 -1.51 0.00 0.00 177.39 177.87 1c89 n ASP 122 N 0.00 -0.97 -4.42 -1.43 9.92 -0.33 -4.52 116.55 114.80 1c89 n ASP 122 Ca 0.00 -1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 52.83 1c89 n ASP 122 Cb 0.00 -0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 39.54 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 6.73 1.59 0.37 -1.24 0.74 -0.88 -4.15 119.66 122.82 1c89 s GLN 123 Ca 0.79 -1.26 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 1c89 s GLN 123 Cb -0.40 -1.99 -0.10 0.00 1.10 0.00 0.00 33.01 31.62 1c89 s GLN 123 CO 0.28 0.47 0.97 0.99 -0.55 0.00 0.00 175.29 177.46 1c89 s THR 124 N -1.07 4.13 0.03 -0.34 2.01 -1.26 0.22 115.64 119.37 1c89 s THR 124 Ca 0.15 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 1c89 s THR 124 Cb -0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1c89 s THR 124 CO 0.07 -0.02 1.14 -0.22 -0.69 0.00 0.00 174.62 174.90 1c89 s LEU 125 N -2.53 4.36 0.06 4.42 2.96 -0.60 -4.86 118.68 122.49 1c89 s LEU 125 Ca 0.56 1.91 0.07 0.00 -0.22 0.00 0.00 54.13 56.44 1c89 s LEU 125 Cb -0.17 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1c89 s LEU 125 CO 0.22 -0.43 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.59 1c89 s MET 126 N 1.16 1.13 0.22 1.98 -1.94 -1.26 -1.27 119.30 119.31 1c89 s MET 126 Ca 0.57 -0.97 0.25 0.00 -1.71 0.00 0.00 55.69 53.83 1c89 s MET 126 Cb -0.27 -1.25 0.89 0.00 2.01 0.00 0.00 34.83 36.21 1c89 s MET 126 CO 0.28 0.30 1.75 -0.35 -0.01 0.00 0.00 175.02 177.00 1c89 n PRO 127 N 1.55 0.22 0.17 2.03 -0.04 -1.26 -2.94 135.00 134.72 1c89 n PRO 127 Ca -0.19 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1c89 n PRO 127 Cb 0.54 -1.81 0.28 0.00 -0.04 0.00 0.00 33.50 32.46 1c89 n PRO 127 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1c89 h ASP 128 N 0.00 0.00 0.46 3.54 3.04 -2.00 -3.22 116.42 118.24 1c89 h ASP 128 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1c89 h ASP 128 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 1c89 h ASP 128 CO 0.00 0.00 -1.28 1.15 -2.04 0.00 0.00 179.24 177.07 1c89 n MET 129 N -2.71 0.46 -3.48 4.15 0.00 -1.15 -4.90 117.12 109.50 1c89 n MET 129 Ca 0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 57.70 57.36 1c89 n MET 129 Cb 0.48 -1.64 -0.06 0.00 0.00 0.00 0.00 33.22 32.01 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 -3.32 4.99 0.00 3.17 1.01 -1.22 -3.88 120.40 121.15 1c89 s VAL 130 Ca -0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1c89 s VAL 130 Cb 0.13 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1c89 s VAL 130 CO 0.83 0.46 0.00 0.29 0.00 0.00 0.00 175.10 176.68 1c89 n LYS 131 N 1.46 0.00 -2.16 2.72 4.76 -1.26 -4.39 118.16 119.29 1c89 n LYS 131 Ca -0.11 0.36 -0.41 0.00 -2.87 0.00 0.00 58.31 55.28 1c89 n LYS 131 Cb 0.52 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 132 N -1.64 7.41 -4.80 4.39 5.15 -1.26 -4.99 115.26 119.52 1c89 n ASN 132 Ca 0.00 -3.21 -0.35 0.00 -0.60 0.00 0.00 54.58 50.43 1c89 n ASN 132 Cb 0.00 -1.36 -0.07 0.00 -0.53 0.00 0.00 39.78 37.83 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1c89 s TYR 133 N -1.29 3.42 -2.92 1.20 5.04 -1.26 -5.20 117.35 116.33 1c89 s TYR 133 Ca 0.49 1.67 0.25 0.00 -2.44 0.00 0.00 57.07 57.04 1c89 s TYR 133 Cb 0.16 -2.90 0.32 0.00 0.35 0.00 0.00 41.96 39.90 1c89 s TYR 133 CO -0.07 -0.06 1.33 0.39 -1.34 0.00 0.00 175.55 175.80