#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 1.42 0.51 1.20 1.02 -1.26 -5.00 119.74 117.63 1c89 s LYS 2 Ca 0.00 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 54.93 1c89 s LYS 2 Cb 0.00 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 1c89 s LYS 2 CO 0.00 -1.71 1.37 0.00 -0.92 0.00 0.00 175.35 174.09 1c89 s ALA 3 N -3.37 2.96 0.26 5.17 0.00 -1.26 -4.67 121.76 120.86 1c89 s ALA 3 Ca 0.68 1.35 0.08 0.00 0.00 0.00 0.00 51.96 54.07 1c89 s ALA 3 Cb -0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1c89 s ALA 3 CO 0.47 -1.27 0.09 -1.12 0.00 0.00 0.00 175.76 173.93 1c89 s SER 4 N -0.84 4.95 -0.79 0.00 0.01 0.20 -4.02 113.70 113.21 1c89 s SER 4 Ca 0.68 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 1c89 s SER 4 Cb -0.41 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 64.78 1c89 s SER 4 CO 0.50 -0.03 1.45 -0.69 0.41 0.00 0.00 173.24 174.88 1c89 s VAL 5 N -2.25 3.69 -0.20 3.43 1.01 -0.82 -1.70 120.40 123.56 1c89 s VAL 5 Ca 0.32 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1c89 s VAL 5 Cb -0.07 -4.73 -0.01 0.00 0.00 0.00 0.00 36.38 31.57 1c89 s VAL 5 CO 0.22 -1.67 -0.06 -0.69 0.00 0.00 0.00 175.10 172.90 1c89 s VAL 6 N 6.39 3.32 0.20 2.92 1.01 0.23 -1.31 120.40 133.16 1c89 s VAL 6 Ca 0.45 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.58 1c89 s VAL 6 Cb -0.07 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.69 1c89 s VAL 6 CO 0.10 0.45 1.62 0.00 0.00 0.00 0.00 175.10 177.27 1c89 n ALA 7 N 4.50 2.02 0.04 5.51 0.00 -0.29 -1.10 120.51 131.19 1c89 n ALA 7 Ca -0.18 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1c89 n ALA 7 Cb 0.51 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 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 6.01 0.48 -2.04 0.00 -1.24 -1.71 0.58 115.58 117.67 1c89 h ASN 8 Ca -0.44 -0.91 -0.47 0.00 0.71 0.00 0.00 56.30 55.19 1c89 h ASN 8 Cb 1.23 -0.16 0.08 0.00 0.73 0.00 0.00 38.32 40.21 1c89 h ASN 8 CO 0.90 1.55 0.11 0.00 -1.29 0.00 0.00 177.43 178.69 1c89 s GLN 9 N -2.48 1.64 -0.04 6.67 -2.07 -1.26 -2.77 119.66 119.35 1c89 s GLN 9 Ca -0.16 -1.17 -0.23 0.00 -1.82 0.00 0.00 55.36 51.98 1c89 s GLN 9 Cb 0.03 -2.34 -0.04 0.00 -1.09 0.00 0.00 33.01 29.57 1c89 s GLN 9 CO 0.82 -1.48 0.69 -1.17 -1.32 0.00 0.00 175.29 172.83 1c89 s LEU 10 N -5.15 4.36 -0.10 2.60 0.20 -1.26 -4.13 118.68 115.20 1c89 s LEU 10 Ca 0.67 1.22 0.03 0.00 0.69 0.00 0.00 54.13 56.74 1c89 s LEU 10 Cb -0.05 -3.07 -0.01 0.00 -0.43 0.00 0.00 46.19 42.63 1c89 s LEU 10 CO 0.44 -0.05 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.61 1c89 s ILE 11 N 0.46 2.33 0.00 6.68 -1.09 0.42 -4.94 121.20 125.04 1c89 s ILE 11 Ca 0.36 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1c89 s ILE 11 Cb -0.18 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 1c89 s ILE 11 CO 0.19 0.55 0.00 -0.81 -1.23 0.00 0.00 174.94 173.64 1c89 n PRO 12 N 3.43 0.66 -2.55 2.79 -0.04 -1.26 0.17 135.00 138.20 1c89 n PRO 12 Ca -0.19 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 1c89 n PRO 12 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.22 4.74 -1.00 0.52 1.09 -1.26 -4.02 121.20 121.05 1c89 s ILE 13 Ca 0.00 0.73 -0.15 0.00 -1.10 0.00 0.00 60.65 60.13 1c89 s ILE 13 Cb 0.00 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.63 1c89 s ILE 13 CO 0.00 -0.72 0.69 0.59 -0.10 0.00 0.00 174.94 175.40 1c89 n ASN 14 N -1.77 -5.23 -3.75 3.58 3.02 -0.93 -4.90 115.26 105.28 1c89 n ASN 14 Ca 0.04 -0.94 -0.26 0.00 -0.03 0.00 0.00 54.58 53.38 1c89 n ASN 14 Cb 0.54 -2.67 -0.17 0.00 -0.61 0.00 0.00 39.78 36.87 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 -3.26 0.48 -0.35 3.41 2.01 -1.26 -4.87 115.64 111.80 1c89 s THR 15 Ca 0.26 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 1c89 s THR 15 Cb -0.12 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1c89 s THR 15 CO 0.88 -0.07 1.94 0.00 -0.69 0.00 0.00 174.62 176.68 1c89 s ALA 16 N 1.89 2.67 0.71 7.40 0.00 -1.22 -4.28 121.76 128.93 1c89 s ALA 16 Ca 0.01 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 1c89 s ALA 16 Cb -0.16 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 18.91 1c89 s ALA 16 CO -0.07 -2.94 1.21 -0.51 0.00 0.00 0.00 175.76 173.45 1c89 s LEU 17 N 7.83 3.37 0.49 0.00 1.43 -1.08 -4.47 118.68 126.25 1c89 s LEU 17 Ca 0.84 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 56.33 1c89 s LEU 17 Cb -0.23 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.37 1c89 s LEU 17 CO 0.32 -2.16 0.01 0.42 0.23 0.00 0.00 176.35 175.17 1c89 s THR 18 N -1.92 1.32 0.18 5.49 -4.23 -1.26 0.26 115.64 115.47 1c89 s THR 18 Ca 0.75 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1c89 s THR 18 Cb -0.30 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1c89 s THR 18 CO 0.44 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 176.19 1c89 h LEU 19 N 1.41 0.84 -0.85 4.79 3.38 -1.96 -1.91 115.31 121.02 1c89 h LEU 19 Ca -0.44 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.37 1c89 h LEU 19 Cb 1.30 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1c89 h LEU 19 CO 0.75 0.77 0.55 0.40 0.09 0.00 0.00 178.44 181.00 1c89 h ILE 20 N 0.85 1.22 -0.04 1.22 5.03 -2.03 -0.52 117.51 123.25 1c89 h ILE 20 Ca 0.21 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1c89 h ILE 20 Cb 0.19 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 33.96 1c89 h ILE 20 CO -0.02 0.22 0.00 0.23 -0.68 0.00 0.00 178.15 177.90 1c89 n MET 21 N -4.48 1.16 -3.58 2.37 2.81 -1.04 -4.71 117.12 109.65 1c89 n MET 21 Ca 0.09 -0.24 -0.40 0.00 -1.81 0.00 0.00 57.70 55.34 1c89 n MET 21 Cb 0.02 -1.29 -0.11 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.95 3.24 -0.31 0.03 0.00 -0.20 -1.94 119.30 118.16 1c89 s MET 22 Ca 0.27 -0.80 -0.05 0.00 0.00 0.00 0.00 55.69 55.11 1c89 s MET 22 Cb 0.13 -3.73 0.04 0.00 0.00 0.00 0.00 34.83 31.27 1c89 s MET 22 CO 0.21 -0.52 0.06 0.15 0.00 0.00 0.00 175.02 174.92 1c89 s LYS 23 N 1.65 2.68 -1.33 4.11 1.02 -0.26 -4.90 119.74 122.70 1c89 s LYS 23 Ca 0.05 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 1c89 s LYS 23 Cb -0.18 -3.33 0.06 0.00 -0.52 0.00 0.00 37.83 33.86 1c89 s LYS 23 CO 0.08 -0.59 1.88 0.00 -0.92 0.00 0.00 175.35 175.80 1c89 n ALA 24 N 4.76 4.04 -2.86 5.17 0.00 -1.25 -0.60 120.51 129.76 1c89 n ALA 24 Ca -0.13 -3.83 -0.30 0.00 0.00 0.00 0.00 53.44 49.18 1c89 n ALA 24 Cb 0.45 -3.59 -0.05 0.00 0.00 0.00 0.00 19.45 16.26 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 4.02 3.20 -1.09 0.00 2.12 -0.69 -4.46 118.70 121.81 1c89 s GLU 25 Ca 0.53 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 1c89 s GLU 25 Cb 0.07 -2.89 0.13 0.00 0.26 0.00 0.00 34.13 31.70 1c89 s GLU 25 CO 0.04 0.58 1.35 0.08 -0.54 0.00 0.00 175.26 176.76 1c89 s VAL 26 N -1.51 4.69 0.25 3.70 1.01 -1.26 0.61 120.40 127.88 1c89 s VAL 26 Ca 0.33 -1.93 0.11 0.00 0.00 0.00 0.00 61.98 60.49 1c89 s VAL 26 Cb -0.12 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.30 1c89 s VAL 26 CO 0.26 -1.66 -0.19 0.68 0.00 0.00 0.00 175.10 174.19 1c89 s VAL 27 N 2.69 2.26 0.09 2.92 -7.23 -1.26 -4.97 120.40 114.90 1c89 s VAL 27 Ca 0.40 -2.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1c89 s VAL 27 Cb -0.03 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1c89 s VAL 27 CO -0.04 -0.44 0.05 0.28 -0.31 0.00 0.00 175.10 174.64 1c89 s THR 28 N -2.59 4.32 0.58 5.32 -1.32 -1.26 -3.52 115.64 117.17 1c89 s THR 28 Ca 0.27 -0.89 -0.15 0.00 -1.21 0.00 0.00 61.69 59.71 1c89 s THR 28 Cb -0.04 -3.09 -0.05 0.00 -1.51 0.00 0.00 72.50 67.82 1c89 s THR 28 CO 0.12 0.10 1.03 -2.16 -2.21 0.00 0.00 174.62 171.51 1c89 s PRO 29 N -2.43 3.49 -1.15 7.08 0.04 -1.26 -5.02 135.00 135.74 1c89 s PRO 29 Ca 0.28 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 1c89 s PRO 29 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1c89 s PRO 29 CO 0.21 -0.66 1.87 0.00 0.04 0.00 0.00 177.00 178.46 1c89 s MET 30 N -4.22 2.83 0.00 4.56 0.23 -1.23 -4.90 119.30 116.57 1c89 s MET 30 Ca 0.61 -1.16 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 1c89 s MET 30 Cb -0.14 -5.27 0.00 0.00 -1.53 0.00 0.00 34.83 27.89 1c89 s MET 30 CO 0.38 -3.48 0.00 0.41 -2.03 0.00 0.00 175.02 170.30 1c89 n GLY 31 N 5.98 -2.72 3.73 3.16 0.00 -1.26 -4.83 105.19 109.25 1c89 n GLY 31 Ca 0.44 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 4.86 0.28 -0.61 1.01 -0.97 -5.00 121.20 120.78 1c89 s ILE 32 Ca 0.00 1.62 -0.05 0.00 0.00 0.00 0.00 60.65 62.22 1c89 s ILE 32 Cb 0.00 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.42 1c89 s ILE 32 CO 0.00 0.30 0.29 -0.81 0.00 0.00 0.00 174.94 174.72 1c89 n PRO 33 N 3.29 -1.10 -0.80 2.79 -0.04 -1.26 -1.94 135.00 135.94 1c89 n PRO 33 Ca -0.01 -0.46 -0.03 0.00 -0.04 0.00 0.00 63.50 62.96 1c89 n PRO 33 Cb 0.51 -0.38 0.24 0.00 -0.04 0.00 0.00 33.50 33.83 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 -3.37 4.13 0.40 0.55 0.00 -1.26 -4.18 120.51 116.78 1c89 n ALA 34 Ca -0.05 -2.70 -0.16 0.00 0.00 0.00 0.00 53.44 50.54 1c89 n ALA 34 Cb 0.14 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 1.60 -0.98 -2.49 0.00 4.81 -1.93 -3.19 114.58 112.41 1c89 h GLU 35 Ca 0.21 0.07 -0.75 0.00 -0.13 0.00 0.00 59.36 58.76 1c89 h GLU 35 Cb 1.89 0.22 -0.17 0.00 0.63 0.00 0.00 28.75 31.32 1c89 h GLU 35 CO 0.50 -0.65 1.95 0.39 -0.73 0.00 0.00 179.01 180.47 1c89 n GLU 36 N -4.83 4.77 0.15 1.92 -0.58 -1.26 -4.69 120.64 116.12 1c89 n GLU 36 Ca -0.13 -3.78 0.00 0.00 -0.42 0.00 0.00 57.16 52.83 1c89 n GLU 36 Cb 0.40 -2.57 0.26 0.00 -0.57 0.00 0.00 31.44 28.96 1c89 n GLU 36 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1c89 h ILE 37 N 2.46 1.34 0.00 -3.67 2.10 -1.89 -0.87 117.51 116.98 1c89 h ILE 37 Ca 0.65 -1.65 0.00 0.00 1.08 0.00 0.00 64.86 64.94 1c89 h ILE 37 Cb 0.32 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1c89 h ILE 37 CO 1.37 0.47 0.00 -0.81 -1.08 0.00 0.00 178.15 178.11 1c89 n PRO 38 N -3.97 0.01 -0.09 2.19 -0.04 -1.26 -1.07 135.00 130.77 1c89 n PRO 38 Ca -0.02 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1c89 n PRO 38 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.50 1.84 0.02 3.54 3.02 -0.98 -4.55 115.26 116.66 1c89 n ASN 39 Ca 0.06 -0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1c89 n ASN 39 Cb 0.30 0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 1c89 n ASN 39 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1c89 h LEU 40 N 0.00 0.00 -9.36 3.41 6.46 -1.22 -3.47 115.31 111.13 1c89 h LEU 40 Ca -0.44 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 56.75 1c89 h LEU 40 Cb 1.82 0.00 0.18 0.00 -0.73 0.00 0.00 40.66 41.93 1c89 h LEU 40 CO -0.03 0.75 -0.73 0.52 -0.62 0.00 0.00 178.44 178.33 1c89 n VAL 41 N -3.00 1.29 -1.11 1.05 0.31 -0.23 -1.23 118.33 115.40 1c89 n VAL 41 Ca -0.11 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.72 1c89 n VAL 41 Cb 0.91 -0.45 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 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 2.09 0.58 3.77 2.92 0.00 0.72 -4.85 105.19 110.42 1c89 n GLY 42 Ca 0.09 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.71 3.08 -0.16 1.61 0.00 -0.36 -4.19 119.30 117.56 1c89 s MET 43 Ca 0.00 1.50 -0.08 0.00 0.00 0.00 0.00 55.69 57.11 1c89 s MET 43 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 34.83 32.81 1c89 s MET 43 CO 0.00 -1.05 0.13 -0.65 0.00 0.00 0.00 175.02 173.45 1c89 s GLN 44 N -3.69 3.79 0.48 3.16 -0.21 -1.26 -2.63 119.66 119.30 1c89 s GLN 44 Ca 0.70 -0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.85 1c89 s GLN 44 Cb -0.22 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 1c89 s GLN 44 CO 0.34 0.53 0.75 0.14 -2.12 0.00 0.00 175.29 174.93 1c89 s VAL 45 N -0.32 4.51 -1.13 1.09 -7.23 -1.26 -4.26 120.40 111.79 1c89 s VAL 45 Ca 0.11 -0.08 0.22 0.00 -1.81 0.00 0.00 61.98 60.41 1c89 s VAL 45 Cb -0.12 -3.71 -0.16 0.00 0.56 0.00 0.00 36.38 32.96 1c89 s VAL 45 CO 0.01 -0.62 1.00 0.59 -0.31 0.00 0.00 175.10 175.77 1c89 n ASN 46 N -2.21 1.05 -3.47 4.85 5.03 -0.98 -2.19 115.26 117.34 1c89 n ASN 46 Ca 0.01 -0.95 -0.18 0.00 0.87 0.00 0.00 54.58 54.32 1c89 n ASN 46 Cb 0.56 0.82 -0.08 0.00 -1.02 0.00 0.00 39.78 40.06 1c89 n ASN 46 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c89 s ARG 47 N -2.93 1.69 0.29 3.52 0.52 -1.26 -4.87 118.95 115.91 1c89 s ARG 47 Ca 0.10 -1.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.08 1c89 s ARG 47 Cb 0.17 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.86 1c89 s ARG 47 CO 0.81 -0.63 1.28 0.00 0.02 0.00 0.00 175.30 176.78 1c89 s ALA 48 N -3.52 3.49 -0.24 2.13 0.00 -1.26 -4.16 121.76 118.21 1c89 s ALA 48 Ca 0.40 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 1c89 s ALA 48 Cb 0.03 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1c89 s ALA 48 CO 0.25 -0.54 -0.09 0.08 0.00 0.00 0.00 175.76 175.46 1c89 s VAL 49 N -0.85 2.65 0.00 0.00 1.01 0.46 -4.96 120.40 118.71 1c89 s VAL 49 Ca 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1c89 s VAL 49 Cb -0.38 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1c89 s VAL 49 CO 0.48 0.23 0.00 -0.81 0.00 0.00 0.00 175.10 175.00 1c89 n PRO 50 N 4.63 -0.63 -2.70 2.72 -0.04 -1.26 0.16 135.00 137.88 1c89 n PRO 50 Ca -0.17 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.96 1c89 n PRO 50 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 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 3.87 -1.45 1.53 1.02 -1.26 -3.63 118.68 118.75 1c89 s LEU 51 Ca 0.00 1.69 -0.08 0.00 0.02 0.00 0.00 54.13 55.76 1c89 s LEU 51 Cb 0.00 -4.54 0.04 0.00 0.02 0.00 0.00 46.19 41.71 1c89 s LEU 51 CO 0.00 -0.46 0.72 0.61 0.02 0.00 0.00 176.35 177.24 1c89 n GLY 52 N -0.78 -0.51 3.57 -3.19 0.00 0.20 -4.90 105.19 99.57 1c89 n GLY 52 Ca 0.07 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.15 4.60 0.85 2.61 2.01 -0.83 -4.74 115.64 116.99 1c89 s THR 53 Ca 0.44 0.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 1c89 s THR 53 Cb -0.21 -4.34 0.11 0.00 0.01 0.00 0.00 72.50 68.07 1c89 s THR 53 CO 0.54 -0.68 1.17 0.28 -0.69 0.00 0.00 174.62 175.24 1c89 s THR 54 N 3.43 2.13 -0.77 -0.82 -1.32 -1.26 -1.14 115.64 115.89 1c89 s THR 54 Ca 0.34 0.05 -0.26 0.00 -1.21 0.00 0.00 61.69 60.61 1c89 s THR 54 Cb -0.12 -2.29 0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1c89 s THR 54 CO 0.22 -0.05 1.49 -0.22 -2.21 0.00 0.00 174.62 173.86 1c89 s LEU 55 N -6.09 3.25 -0.14 9.08 1.98 -0.43 -4.82 118.68 121.52 1c89 s LEU 55 Ca 0.70 -0.47 -0.14 0.00 -2.89 0.00 0.00 54.13 51.33 1c89 s LEU 55 Cb -0.25 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 43.99 1c89 s LEU 55 CO 0.54 -1.97 0.33 -0.04 -1.89 0.00 0.00 176.35 173.31 1c89 s MET 56 N 6.00 4.20 0.19 1.98 -1.94 -1.26 -2.29 119.30 126.18 1c89 s MET 56 Ca 0.47 0.18 0.23 0.00 -1.71 0.00 0.00 55.69 54.86 1c89 s MET 56 Cb -0.08 -3.40 0.91 0.00 2.01 0.00 0.00 34.83 34.27 1c89 s MET 56 CO 0.11 0.29 1.71 -0.35 -0.01 0.00 0.00 175.02 176.77 1c89 n PRO 57 N 3.36 0.17 0.08 2.03 -0.04 -1.26 -2.24 135.00 137.10 1c89 n PRO 57 Ca -0.12 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 1c89 n PRO 57 Cb 0.52 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.18 -0.27 3.54 5.19 -1.95 -3.28 116.42 119.84 1c89 h ASP 58 Ca 0.00 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1c89 h ASP 58 Cb 0.46 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1c89 h ASP 58 CO 0.00 1.13 0.00 0.23 -3.12 0.00 0.00 179.24 177.48 1c89 n MET 59 N -3.45 2.14 -5.29 3.56 2.81 -1.15 -4.93 117.12 110.80 1c89 n MET 59 Ca -0.03 -1.99 -0.31 0.00 -1.81 0.00 0.00 57.70 53.56 1c89 n MET 59 Cb 0.95 -1.41 -0.16 0.00 -0.71 0.00 0.00 33.22 31.90 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 -1.34 2.04 0.00 2.03 1.01 -0.95 -2.31 120.40 120.88 1c89 s VAL 60 Ca 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1c89 s VAL 60 Cb 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1c89 s VAL 60 CO 0.25 0.57 0.00 1.17 0.00 0.00 0.00 175.10 177.10 1c89 n LYS 61 N 2.60 2.80 -2.06 2.72 0.00 -1.26 -4.63 118.16 118.32 1c89 n LYS 61 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 57.86 1c89 n LYS 61 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 1c89 n LYS 61 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1c89 s ASN 62 N -1.79 5.19 0.00 3.14 2.47 -1.26 -4.88 114.94 117.81 1c89 s ASN 62 Ca 0.00 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.68 1c89 s ASN 62 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1c89 s ASN 62 CO 0.00 -2.67 0.00 0.00 -3.72 0.00 0.00 177.10 170.71 1c89 n TYR 63 N 13.70 0.00 -3.52 0.43 4.11 -1.26 -4.96 117.16 125.66 1c89 n TYR 63 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.28 1c89 n TYR 63 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1c89 n TYR 63 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1c89 n GLU 64 N 0.00 1.61 -1.17 -3.48 0.28 -1.26 -4.68 120.64 111.94 1c89 n GLU 64 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1c89 n GLU 64 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1c89 n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1c89 n ASP 65 N -0.99 7.23 -0.44 -1.84 -0.08 -1.26 -4.44 116.55 114.72 1c89 n ASP 65 Ca 0.00 -2.52 0.06 0.00 -1.51 0.00 0.00 54.79 50.82 1c89 n ASP 65 Cb 0.00 -1.49 0.21 0.00 2.34 0.00 0.00 41.12 42.18 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c89 n GLY 66 N 3.14 0.10 3.67 0.27 0.00 -1.26 -4.82 105.19 106.30 1c89 n GLY 66 Ca 0.63 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -1.72 5.09 0.00 2.61 -4.23 -1.26 -5.00 115.64 111.13 1c89 s THR 67 Ca 0.21 1.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 1c89 s THR 67 Cb 0.11 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1c89 s THR 67 CO 0.16 0.19 0.00 0.41 -0.54 0.00 0.00 174.62 174.83 1c89 n THR 68 N 4.40 0.00 -2.60 3.99 -1.04 -1.26 -4.82 114.28 112.95 1c89 n THR 68 Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1c89 n THR 68 Cb 0.50 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1c89 s SER 69 N -1.00 7.12 0.00 8.00 0.01 -1.26 -4.98 113.70 121.59 1c89 s SER 69 Ca 0.00 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1c89 s SER 69 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1c89 s SER 69 CO 0.00 -0.58 0.00 -0.81 0.41 0.00 0.00 173.24 172.26 1c89 n PRO 70 N 5.64 0.00 0.00 12.44 -0.04 -1.26 -4.75 135.00 147.03 1c89 n PRO 70 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1c89 n PRO 70 Cb 0.47 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 2.03 0.41 2.37 0.55 0.00 -1.26 -3.82 105.19 105.48 1c89 n GLY 71 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 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 6.70 -4.60 0.99 4.77 -1.26 -4.91 117.00 118.68 1c89 n LEU 72 Ca 0.00 -4.07 -0.42 0.00 -0.03 0.00 0.00 56.01 51.48 1c89 n LEU 72 Cb 0.00 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 39.73 1c89 n LEU 72 CO 0.00 1.82 0.69 -1.59 -1.33 0.00 0.00 177.39 176.97 1c89 s LYS 73 N -0.76 3.87 0.12 3.23 -2.85 -1.25 -4.19 119.74 117.90 1c89 s LYS 73 Ca 0.60 0.55 -0.03 0.00 -1.00 0.00 0.00 55.97 56.09 1c89 s LYS 73 Cb 0.32 -3.78 -0.05 0.00 -2.06 0.00 0.00 37.83 32.25 1c89 s LYS 73 CO -0.14 -0.85 0.33 -1.12 0.10 0.00 0.00 175.35 173.67 1c89 s SER 74 N 1.79 6.45 0.07 0.03 0.01 -0.52 -3.76 113.70 117.76 1c89 s SER 74 Ca 0.36 0.49 -0.31 0.00 1.31 0.00 0.00 55.95 57.79 1c89 s SER 74 Cb -0.13 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 1c89 s SER 74 CO 0.16 0.08 1.55 -0.69 0.41 0.00 0.00 173.24 174.76 1c89 s VAL 75 N -1.63 3.18 -0.05 3.43 1.01 -1.00 -1.14 120.40 124.20 1c89 s VAL 75 Ca 0.39 0.68 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1c89 s VAL 75 Cb -0.12 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1c89 s VAL 75 CO 0.26 0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.58 1c89 s VAL 76 N 2.24 0.90 -1.09 2.92 1.01 0.66 0.60 120.40 127.63 1c89 s VAL 76 Ca 0.70 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1c89 s VAL 76 Cb -0.38 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.21 1c89 s VAL 76 CO 0.30 0.30 1.57 0.00 0.00 0.00 0.00 175.10 177.27 1c89 s ALA 77 N 0.61 2.79 0.63 5.51 0.00 0.13 -0.81 121.76 130.62 1c89 s ALA 77 Ca -0.11 -2.39 0.34 0.00 0.00 0.00 0.00 51.96 49.80 1c89 s ALA 77 Cb -0.14 -4.57 1.89 0.00 0.00 0.00 0.00 23.12 20.30 1c89 s ALA 77 CO 0.02 -3.65 2.15 -0.91 0.00 0.00 0.00 175.76 173.37 1c89 h ASN 78 N 9.28 0.00 -3.97 0.00 -0.26 -1.80 -0.78 115.58 118.06 1c89 h ASN 78 Ca 0.26 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.88 1c89 h ASN 78 Cb 0.97 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 1c89 h ASN 78 CO 1.42 0.00 -0.06 0.00 -1.06 0.00 0.00 177.43 177.73 1c89 n GLN 79 N -3.38 1.34 -3.44 0.81 6.02 -1.26 -2.87 117.38 114.59 1c89 n GLN 79 Ca -0.01 -0.72 -0.38 0.00 -0.01 0.00 0.00 57.00 55.89 1c89 n GLN 79 Cb 0.25 0.08 -0.06 0.00 1.02 0.00 0.00 30.24 31.53 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 4.42 -0.21 1.08 1.98 -1.26 -3.86 118.68 120.83 1c89 s LEU 80 Ca 0.06 0.93 0.01 0.00 -2.89 0.00 0.00 54.13 52.25 1c89 s LEU 80 Cb -0.00 -2.62 0.04 0.00 0.66 0.00 0.00 46.19 44.26 1c89 s LEU 80 CO 0.04 0.24 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.98 1c89 s ILE 81 N -0.61 1.82 0.45 6.68 -1.09 -0.97 -4.98 121.20 122.49 1c89 s ILE 81 Ca 0.24 -1.11 -0.23 0.00 -2.23 0.00 0.00 60.65 57.33 1c89 s ILE 81 Cb -0.16 -1.84 -0.08 0.00 -1.58 0.00 0.00 42.46 38.79 1c89 s ILE 81 CO 0.13 0.21 1.10 -2.16 -1.23 0.00 0.00 174.94 172.98 1c89 s PRO 82 N 1.32 3.89 0.95 2.79 0.04 -1.26 -0.46 135.00 142.27 1c89 s PRO 82 Ca -0.01 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1c89 s PRO 82 Cb -0.16 -2.37 -0.13 0.00 0.04 0.00 0.00 34.50 31.87 1c89 s PRO 82 CO -0.09 -0.40 -0.64 -0.89 0.04 0.00 0.00 177.00 175.03 1c89 n ILE 83 N -0.48 0.03 -3.50 0.56 5.41 -1.25 -3.45 119.36 116.68 1c89 n ILE 83 Ca 0.07 -0.47 -0.36 0.00 1.00 0.00 0.00 62.75 62.99 1c89 n ILE 83 Cb 0.50 -0.06 0.03 0.00 -0.71 0.00 0.00 39.64 39.40 1c89 n ILE 83 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1c89 n ASN 84 N 2.98 -5.14 -3.57 4.38 0.23 0.17 -4.94 115.26 109.37 1c89 n ASN 84 Ca -0.00 -0.32 -0.20 0.00 -0.53 0.00 0.00 54.58 53.53 1c89 n ASN 84 Cb 0.55 -1.53 -0.15 0.00 -2.08 0.00 0.00 39.78 36.57 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 85 N -1.70 -0.25 -1.08 5.53 2.01 -1.22 -4.84 115.64 114.08 1c89 s THR 85 Ca 0.30 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 1c89 s THR 85 Cb -0.03 -0.55 -0.22 0.00 0.01 0.00 0.00 72.50 71.70 1c89 s THR 85 CO 0.85 -0.13 2.08 0.00 -0.69 0.00 0.00 174.62 176.74 1c89 n ALA 86 N 5.31 0.43 -1.76 7.40 0.00 -1.26 -3.99 120.51 126.64 1c89 n ALA 86 Ca -0.06 -2.35 -0.39 0.00 0.00 0.00 0.00 53.44 50.64 1c89 n ALA 86 Cb 0.49 -3.38 -0.04 0.00 0.00 0.00 0.00 19.45 16.53 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 16.25 4.45 0.00 0.00 2.34 -1.06 -4.59 118.68 136.07 1c89 s LEU 87 Ca 0.80 2.22 0.01 0.00 0.06 0.00 0.00 54.13 57.21 1c89 s LEU 87 Cb -0.04 -3.77 -0.00 0.00 -0.56 0.00 0.00 46.19 41.82 1c89 s LEU 87 CO 0.19 -0.24 0.02 0.35 -1.06 0.00 0.00 176.35 175.61 1c89 n THR 88 N 0.87 0.00 -0.15 5.48 -2.24 -1.26 0.25 114.28 117.23 1c89 n THR 88 Ca 0.00 -1.34 0.28 0.00 -2.27 0.00 0.00 64.05 60.72 1c89 n THR 88 Cb 0.46 0.33 0.72 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.23 3.22 -0.00 -1.93 0.90 115.31 117.74 1c89 h LEU 89 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1c89 h LEU 89 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1c89 h LEU 89 CO 0.36 0.00 -0.11 0.58 -0.00 0.00 0.00 178.44 179.27 1c89 h VAL 90 N 0.00 0.80 -0.00 0.15 2.07 -2.00 -2.62 116.25 114.65 1c89 h VAL 90 Ca 0.40 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1c89 h VAL 90 Cb 1.76 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1c89 h VAL 90 CO -0.00 0.04 -0.11 0.23 0.02 0.00 0.00 177.57 177.75 1c89 n MET 91 N -5.19 0.06 -3.53 1.57 2.81 -0.29 -4.71 117.12 107.85 1c89 n MET 91 Ca -0.09 -0.01 -0.39 0.00 -1.81 0.00 0.00 57.70 55.39 1c89 n MET 91 Cb 0.17 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.08 1c89 n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 92 N -2.95 3.72 -0.46 0.03 1.00 0.16 -4.12 119.30 116.68 1c89 s MET 92 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 55.69 55.37 1c89 s MET 92 Cb 0.19 -3.74 0.12 0.00 0.00 0.00 0.00 34.83 31.40 1c89 s MET 92 CO 0.56 -0.34 0.28 0.15 0.00 0.00 0.00 175.02 175.67 1c89 s LYS 93 N 1.80 2.19 -0.80 2.03 1.02 0.01 -4.73 119.74 121.25 1c89 s LYS 93 Ca 0.08 -1.96 -0.26 0.00 0.02 0.00 0.00 55.97 53.85 1c89 s LYS 93 Cb -0.17 -3.67 0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1c89 s LYS 93 CO 0.11 -1.11 1.48 0.00 -0.92 0.00 0.00 175.35 174.91 1c89 s ALA 94 N 0.93 2.54 0.11 5.17 0.00 -1.26 -0.24 121.76 129.01 1c89 s ALA 94 Ca 0.10 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 50.67 1c89 s ALA 94 Cb -0.23 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.50 1c89 s ALA 94 CO -0.04 -3.61 -0.23 -2.00 0.00 0.00 0.00 175.76 169.88 1c89 s GLU 95 N 5.89 1.23 -0.76 0.00 2.12 -0.29 -4.62 118.70 122.26 1c89 s GLU 95 Ca 0.46 -1.23 -0.25 0.00 0.36 0.00 0.00 54.97 54.30 1c89 s GLU 95 Cb -0.07 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 1c89 s GLU 95 CO 0.09 0.37 1.93 -2.00 -0.54 0.00 0.00 175.26 175.11 1c89 s GLU 96 N -1.97 2.55 0.15 4.30 -6.30 -1.26 -1.44 118.70 114.73 1c89 s GLU 96 Ca 0.09 0.16 -0.08 0.00 -2.50 0.00 0.00 54.97 52.65 1c89 s GLU 96 Cb -0.10 -4.75 -0.01 0.00 0.00 0.00 0.00 34.13 29.27 1c89 s GLU 96 CO 0.05 -3.12 0.24 0.54 0.02 0.00 0.00 175.26 172.99 1c89 s VAL 97 N 9.80 0.08 0.17 3.70 0.11 -1.26 -4.85 120.40 128.16 1c89 s VAL 97 Ca 0.70 -1.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 1c89 s VAL 97 Cb -0.10 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 1c89 s VAL 97 CO 0.09 -0.35 0.05 -0.44 -3.33 0.00 0.00 175.10 171.12 1c89 s SER 98 N -2.97 5.02 0.92 3.54 0.01 -1.26 -4.09 113.70 114.87 1c89 s SER 98 Ca 0.17 -0.31 -0.13 0.00 1.31 0.00 0.00 55.95 56.99 1c89 s SER 98 Cb 0.04 -1.16 0.15 0.00 0.21 0.00 0.00 66.02 65.26 1c89 s SER 98 CO -0.01 0.08 1.17 -2.16 0.41 0.00 0.00 173.24 172.73 1c89 s PRO 99 N -3.01 1.02 -0.48 12.44 0.04 -1.26 -4.71 135.00 139.04 1c89 s PRO 99 Ca 0.29 0.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.26 1c89 s PRO 99 Cb -0.09 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1c89 s PRO 99 CO 0.20 -2.25 0.61 0.21 0.04 0.00 0.00 177.00 175.82 1c89 s LYS 100 N -5.43 3.17 0.00 4.56 2.20 -1.26 -4.92 119.74 118.06 1c89 s LYS 100 Ca 0.66 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1c89 s LYS 100 Cb -0.12 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1c89 s LYS 100 CO 0.53 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1c89 n GLY 101 N 5.12 0.91 3.34 5.54 0.00 -1.25 -4.99 105.19 113.86 1c89 n GLY 101 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 0.35 2.97 0.96 -0.61 1.01 -0.57 -4.79 121.20 120.52 1c89 s ILE 102 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 1c89 s ILE 102 Cb 0.00 -2.26 0.17 0.00 0.01 0.00 0.00 42.46 40.38 1c89 s ILE 102 CO 0.00 0.51 1.12 -2.16 0.00 0.00 0.00 174.94 174.41 1c89 s PRO 103 N 0.57 0.74 -0.08 2.79 0.04 -1.26 -2.37 135.00 135.43 1c89 s PRO 103 Ca -0.08 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.28 1c89 s PRO 103 Cb -0.16 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1c89 s PRO 103 CO 0.03 -2.48 2.85 0.43 0.04 0.00 0.00 177.00 177.87 1c89 n SER 104 N -3.97 5.53 0.00 6.66 7.64 -1.25 -4.63 113.62 123.60 1c89 n SER 104 Ca 0.06 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.35 1c89 n SER 104 Cb 0.58 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1c89 n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1c89 n GLU 105 N 1.78 0.00 -0.86 1.43 4.71 -1.26 -4.08 120.64 122.36 1c89 n GLU 105 Ca 0.28 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.32 1c89 n GLU 105 Cb 0.71 -0.72 0.18 0.00 -1.01 0.00 0.00 31.44 30.60 1c89 n GLU 105 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1c89 n GLU 106 N -0.40 2.51 -0.16 3.49 -0.58 -1.26 -4.50 120.64 119.72 1c89 n GLU 106 Ca 0.00 -2.30 0.18 0.00 -0.42 0.00 0.00 57.16 54.62 1c89 n GLU 106 Cb 0.00 -1.94 0.55 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.39 0.73 -0.28 -3.67 6.09 -1.84 0.16 117.51 120.09 1c89 h ILE 107 Ca 0.35 -0.11 0.05 0.00 -1.37 0.00 0.00 64.86 63.78 1c89 h ILE 107 Cb 2.20 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.86 1c89 h ILE 107 CO 0.71 0.06 0.19 0.77 -3.07 0.00 0.00 178.15 176.81 1c89 h SER 108 N 0.31 0.12 0.83 2.19 4.64 -1.87 0.79 113.55 120.56 1c89 h SER 108 Ca 0.39 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1c89 h SER 108 Cb 1.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1c89 h SER 108 CO -0.11 0.08 -1.21 1.17 -0.87 0.00 0.00 176.83 175.89 1c89 n LYS 109 N -4.48 0.61 0.00 4.77 3.00 0.51 -3.94 118.16 118.63 1c89 n LYS 109 Ca 0.03 0.14 0.11 0.00 -0.00 0.00 0.00 58.31 58.58 1c89 n LYS 109 Cb 0.25 -1.80 0.03 0.00 0.00 0.00 0.00 35.03 33.51 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c89 n LEU 110 N -2.72 0.82 -4.68 3.14 4.77 -0.50 -4.93 117.00 112.90 1c89 n LEU 110 Ca -0.04 -0.31 -0.45 0.00 -0.03 0.00 0.00 56.01 55.19 1c89 n LEU 110 Cb 0.65 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1c89 n LEU 110 CO 0.41 0.20 1.14 0.52 -1.33 0.00 0.00 177.39 178.33 1c89 n VAL 111 N -1.48 0.42 -0.98 4.08 0.31 0.26 -1.16 118.33 119.78 1c89 n VAL 111 Ca 0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1c89 n VAL 111 Cb 0.33 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 2.88 0.40 3.80 2.92 0.00 0.69 -4.89 105.19 110.98 1c89 n GLY 112 Ca 0.14 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.88 4.42 -0.17 1.61 0.00 -0.31 -4.43 119.30 118.54 1c89 s MET 113 Ca 0.00 1.24 -0.19 0.00 0.00 0.00 0.00 55.69 56.74 1c89 s MET 113 Cb 0.00 -2.52 -0.03 0.00 0.00 0.00 0.00 34.83 32.27 1c89 s MET 113 CO 0.00 0.13 0.54 -0.65 0.00 0.00 0.00 175.02 175.05 1c89 s GLN 114 N -2.55 4.25 0.39 3.16 -0.21 -1.26 -2.56 119.66 120.88 1c89 s GLN 114 Ca 0.55 0.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.33 1c89 s GLN 114 Cb -0.15 -3.52 -0.06 0.00 1.00 0.00 0.00 33.01 30.28 1c89 s GLN 114 CO 0.19 -0.07 0.75 0.54 -2.12 0.00 0.00 175.29 174.58 1c89 s VAL 115 N 1.35 4.80 -2.52 1.09 0.11 -1.26 -4.82 120.40 119.16 1c89 s VAL 115 Ca 0.26 0.59 0.23 0.00 -2.93 0.00 0.00 61.98 60.14 1c89 s VAL 115 Cb -0.16 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.07 1c89 s VAL 115 CO 0.11 -0.48 1.16 -0.46 -3.33 0.00 0.00 175.10 172.10 1c89 n ASN 116 N -1.19 2.54 -4.51 3.54 6.94 -1.26 -0.66 115.26 120.66 1c89 n ASN 116 Ca 0.02 -1.77 -0.25 0.00 -0.02 0.00 0.00 54.58 52.56 1c89 n ASN 116 Cb 0.54 0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 38.05 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1c89 s ARG 117 N -2.14 1.81 0.22 -3.83 3.52 -1.26 -4.69 118.95 112.58 1c89 s ARG 117 Ca 0.23 -2.03 -0.17 0.00 -0.13 0.00 0.00 55.73 53.64 1c89 s ARG 117 Cb 0.19 -1.16 -0.08 0.00 -1.56 0.00 0.00 34.95 32.34 1c89 s ARG 117 CO 0.40 -0.17 0.67 0.00 -0.81 0.00 0.00 175.30 175.39 1c89 s ALA 118 N -3.06 3.45 -0.01 6.12 0.00 -1.26 -3.95 121.76 123.04 1c89 s ALA 118 Ca 0.33 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1c89 s ALA 118 Cb 0.08 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1c89 s ALA 118 CO 0.16 0.37 -0.25 0.08 0.00 0.00 0.00 175.76 176.12 1c89 s VAL 119 N -1.59 1.97 0.00 0.00 1.01 0.39 -4.90 120.40 117.28 1c89 s VAL 119 Ca 0.43 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1c89 s VAL 119 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1c89 s VAL 119 CO 0.20 0.53 0.00 -1.22 0.00 0.00 0.00 175.10 174.61 1c89 n TYR 120 N 2.39 -2.66 0.00 5.22 4.01 -1.26 -2.29 117.16 122.57 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 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.25 -4.00 117.00 115.10 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 1.59 -0.90 -0.00 0.00 0.00 177.39 178.08 1c89 n ASP 122 N 0.00 -1.02 -4.39 1.96 5.68 -0.35 -4.53 116.55 113.90 1c89 n ASP 122 Ca 0.00 -1.05 -0.30 0.00 -0.50 0.00 0.00 54.79 52.94 1c89 n ASP 122 Cb 0.00 -0.78 -0.14 0.00 -1.14 0.00 0.00 41.12 39.06 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1c89 s GLN 123 N 6.78 1.85 0.01 0.11 0.74 -0.87 -4.55 119.66 123.74 1c89 s GLN 123 Ca 0.86 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 1c89 s GLN 123 Cb -0.46 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.57 1c89 s GLN 123 CO 0.32 0.51 1.03 0.99 -0.55 0.00 0.00 175.29 177.59 1c89 s THR 124 N -0.88 4.69 0.24 -0.34 2.01 -1.26 0.23 115.64 120.32 1c89 s THR 124 Ca 0.13 1.93 -0.31 0.00 0.31 0.00 0.00 61.69 63.75 1c89 s THR 124 Cb -0.10 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.06 1c89 s THR 124 CO 0.04 0.15 1.65 -0.22 -0.69 0.00 0.00 174.62 175.55 1c89 s LEU 125 N 1.02 4.36 0.20 4.42 2.96 0.20 -4.88 118.68 126.96 1c89 s LEU 125 Ca 0.53 2.87 0.11 0.00 -0.22 0.00 0.00 54.13 57.42 1c89 s LEU 125 Cb -0.23 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 1c89 s LEU 125 CO 0.28 -0.93 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.12 1c89 s MET 126 N 0.53 1.60 0.28 1.98 -1.94 -1.26 -1.51 119.30 118.98 1c89 s MET 126 Ca 0.70 -1.53 0.13 0.00 -1.71 0.00 0.00 55.69 53.27 1c89 s MET 126 Cb -0.48 -1.87 0.35 0.00 2.01 0.00 0.00 34.83 34.84 1c89 s MET 126 CO 0.38 0.39 1.59 -1.00 -0.01 0.00 0.00 175.02 176.38 1c89 h PRO 127 N 3.05 0.00 -0.00 2.03 0.13 -1.94 -2.89 132.00 132.37 1c89 h PRO 127 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1c89 h PRO 127 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 127 CO 0.50 0.59 -0.04 -3.47 -0.23 0.00 0.00 178.00 175.35 1c89 n ASP 128 N -3.63 0.44 0.05 1.44 -0.08 -1.26 -3.53 116.55 109.98 1c89 n ASP 128 Ca -0.01 -0.86 -0.06 0.00 -1.51 0.00 0.00 54.79 52.36 1c89 n ASP 128 Cb 0.64 -0.05 -0.11 0.00 2.34 0.00 0.00 41.12 43.93 1c89 n ASP 128 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1c89 h MET 129 N 0.62 0.00 -6.89 -0.67 4.05 -1.93 -3.46 114.93 106.66 1c89 h MET 129 Ca 0.00 0.00 -0.44 0.00 -0.28 0.00 0.00 59.70 58.98 1c89 h MET 129 Cb 0.24 0.00 0.05 0.00 -0.80 0.00 0.00 31.60 31.10 1c89 h MET 129 CO 0.00 0.80 -0.01 0.08 0.23 0.00 0.00 176.91 178.01 1c89 s VAL 130 N -2.72 2.56 -0.05 -5.77 1.01 -1.23 -4.35 120.40 109.85 1c89 s VAL 130 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1c89 s VAL 130 Cb 0.09 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1c89 s VAL 130 CO 0.81 0.00 -0.03 0.11 0.00 0.00 0.00 175.10 175.99 1c89 h LYS 131 N -0.04 0.00 -2.92 2.72 1.57 -1.89 -3.42 116.57 112.59 1c89 h LYS 131 Ca -0.41 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.68 1c89 h LYS 131 Cb 1.29 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.24 1c89 h LYS 131 CO 0.50 0.00 -0.07 0.09 -0.57 0.00 0.00 179.45 179.41 1c89 n ASN 132 N -3.18 4.49 -4.73 0.86 4.13 -1.26 -5.07 115.26 110.50 1c89 n ASN 132 Ca -0.01 -3.28 -0.31 0.00 1.68 0.00 0.00 54.58 52.66 1c89 n ASN 132 Cb 0.05 -0.98 0.12 0.00 -1.54 0.00 0.00 39.78 37.43 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1c89 s TYR 133 N -1.97 2.32 -2.53 3.10 5.04 -1.26 -5.23 117.35 116.81 1c89 s TYR 133 Ca 0.32 1.48 0.20 0.00 -2.44 0.00 0.00 57.07 56.63 1c89 s TYR 133 Cb 0.01 -3.13 0.16 0.00 0.35 0.00 0.00 41.96 39.36 1c89 s TYR 133 CO -0.05 -2.20 1.14 0.39 -1.34 0.00 0.00 175.55 173.49