#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 2.92 0.73 1.20 3.01 -1.26 -4.97 119.74 121.36 1c89 s LYS 2 Ca 0.00 0.86 -0.11 0.00 -1.01 0.00 0.00 55.97 55.71 1c89 s LYS 2 Cb 0.00 -2.00 0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1c89 s LYS 2 CO 0.00 -1.08 1.09 0.00 0.51 0.00 0.00 175.35 175.86 1c89 s ALA 3 N -3.09 2.70 0.23 5.17 0.00 -1.26 -4.70 121.76 120.81 1c89 s ALA 3 Ca 0.58 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.37 1c89 s ALA 3 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1c89 s ALA 3 CO 0.55 -1.29 0.12 0.45 0.00 0.00 0.00 175.76 175.59 1c89 s SER 4 N -4.15 5.19 -0.73 0.00 0.15 0.28 -3.39 113.70 111.04 1c89 s SER 4 Ca 0.59 -0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1c89 s SER 4 Cb -0.12 -1.23 0.05 0.00 -1.71 0.00 0.00 66.02 63.01 1c89 s SER 4 CO 0.53 0.00 1.16 -0.69 1.20 0.00 0.00 173.24 175.44 1c89 s VAL 5 N -2.08 4.02 -0.18 4.45 1.01 -0.99 -2.53 120.40 124.10 1c89 s VAL 5 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1c89 s VAL 5 Cb -0.08 -4.83 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 1c89 s VAL 5 CO 0.23 -1.69 -0.09 -0.69 0.00 0.00 0.00 175.10 172.86 1c89 s VAL 6 N 4.88 3.10 0.28 2.92 1.01 -0.49 -0.55 120.40 131.54 1c89 s VAL 6 Ca 0.30 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1c89 s VAL 6 Cb -0.11 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.79 1c89 s VAL 6 CO 0.10 0.47 1.62 0.00 0.00 0.00 0.00 175.10 177.30 1c89 s ALA 7 N 1.04 3.78 -0.10 5.51 0.00 0.83 -0.81 121.76 132.01 1c89 s ALA 7 Ca -0.00 1.58 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 1c89 s ALA 7 Cb -0.15 -3.66 -0.27 0.00 0.00 0.00 0.00 23.12 19.04 1c89 s ALA 7 CO -0.01 -0.98 0.65 -0.97 0.00 0.00 0.00 175.76 174.44 1c89 h ASN 8 N 5.17 0.31 -5.49 0.00 -0.73 0.23 0.46 115.58 115.53 1c89 h ASN 8 Ca -0.46 -0.86 -0.45 0.00 1.87 0.00 0.00 56.30 56.39 1c89 h ASN 8 Cb 1.22 -0.10 0.08 0.00 0.27 0.00 0.00 38.32 39.79 1c89 h ASN 8 CO 0.82 1.46 0.11 0.00 -0.37 0.00 0.00 177.43 179.45 1c89 n GLN 9 N -4.13 -0.08 -2.99 6.67 10.64 -1.26 -2.80 117.38 123.43 1c89 n GLN 9 Ca -0.21 -2.64 -0.43 0.00 -1.83 0.00 0.00 57.00 51.90 1c89 n GLN 9 Cb 0.80 -0.64 -0.05 0.00 -0.86 0.00 0.00 30.24 29.49 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.46 -0.06 2.61 0.20 -1.26 -3.97 118.68 120.65 1c89 s LEU 10 Ca 0.64 -0.52 -0.16 0.00 0.69 0.00 0.00 54.13 54.79 1c89 s LEU 10 Cb -0.04 -2.70 -0.05 0.00 -0.43 0.00 0.00 46.19 42.97 1c89 s LEU 10 CO 0.43 -1.03 0.42 -0.63 -0.29 0.00 0.00 176.35 175.25 1c89 s ILE 11 N 3.30 5.12 0.00 6.68 -1.09 0.42 -4.92 121.20 130.71 1c89 s ILE 11 Ca 0.24 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1c89 s ILE 11 Cb -0.15 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1c89 s ILE 11 CO 0.17 0.46 0.00 -0.81 -1.23 0.00 0.00 174.94 173.53 1c89 n PRO 12 N 2.73 0.91 -2.84 2.79 -0.04 -1.26 0.19 135.00 137.48 1c89 n PRO 12 Ca -0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1c89 n PRO 12 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.06 4.81 -0.83 0.52 1.09 -1.25 -3.75 121.20 121.73 1c89 s ILE 13 Ca 0.00 0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 60.07 1c89 s ILE 13 Cb 0.00 -3.75 -0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1c89 s ILE 13 CO 0.00 -0.55 0.67 0.59 -0.10 0.00 0.00 174.94 175.54 1c89 n ASN 14 N -1.40 -6.14 -3.65 3.58 3.02 -0.66 -4.90 115.26 105.10 1c89 n ASN 14 Ca 0.02 -0.60 -0.24 0.00 -0.03 0.00 0.00 54.58 53.73 1c89 n ASN 14 Cb 0.54 -3.39 -0.17 0.00 -0.61 0.00 0.00 39.78 36.14 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 -3.05 -0.02 -0.77 3.41 2.01 -1.26 -4.83 115.64 111.12 1c89 s THR 15 Ca 0.06 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 1c89 s THR 15 Cb -0.02 -0.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1c89 s THR 15 CO 0.83 -0.11 2.19 0.00 -0.69 0.00 0.00 174.62 176.84 1c89 s ALA 16 N 2.12 1.32 0.52 7.40 0.00 -1.26 -4.07 121.76 127.79 1c89 s ALA 16 Ca 0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 1c89 s ALA 16 Cb -0.15 -4.51 -0.12 0.00 0.00 0.00 0.00 23.12 18.35 1c89 s ALA 16 CO -0.07 -5.11 0.23 1.28 0.00 0.00 0.00 175.76 172.09 1c89 n LEU 17 N 16.01 -1.33 0.00 0.00 4.77 -1.07 -4.18 117.00 131.21 1c89 n LEU 17 Ca 0.40 0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1c89 n LEU 17 Cb 0.47 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1c89 n LEU 17 CO 0.60 -3.82 -0.22 0.35 -1.33 0.00 0.00 177.39 172.97 1c89 n THR 18 N -1.52 0.00 -0.08 -5.08 -2.24 -1.26 0.24 114.28 104.35 1c89 n THR 18 Ca 0.10 -2.21 -0.12 0.00 -2.27 0.00 0.00 64.05 59.55 1c89 n THR 18 Cb 0.46 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 1c89 n THR 18 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1c89 h LEU 19 N 0.00 0.43 -1.30 3.22 6.46 -1.94 0.28 115.31 122.46 1c89 h LEU 19 Ca -0.39 -0.37 0.06 0.00 -0.12 0.00 0.00 57.88 57.07 1c89 h LEU 19 Cb 1.18 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.94 1c89 h LEU 19 CO 0.64 0.70 0.51 0.40 -0.62 0.00 0.00 178.44 180.07 1c89 h ILE 20 N 0.15 1.05 0.00 4.05 2.04 -2.02 -1.46 117.51 121.32 1c89 h ILE 20 Ca 0.06 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1c89 h ILE 20 Cb 0.51 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1c89 h ILE 20 CO 0.02 0.16 -0.80 0.24 0.00 0.00 0.00 178.15 177.77 1c89 h MET 21 N 0.86 0.00 -5.75 2.37 2.86 -1.92 -3.45 114.93 109.90 1c89 h MET 21 Ca 0.33 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.39 1c89 h MET 21 Cb 0.21 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.79 1c89 h MET 21 CO -0.11 0.20 0.17 1.41 1.06 0.00 0.00 176.91 179.63 1c89 s MET 22 N -3.12 4.25 -0.16 1.72 -2.45 0.96 0.90 119.30 121.41 1c89 s MET 22 Ca 0.01 0.72 -0.03 0.00 -1.25 0.00 0.00 55.69 55.15 1c89 s MET 22 Cb 0.08 -3.56 -0.02 0.00 1.25 0.00 0.00 34.83 32.58 1c89 s MET 22 CO 0.76 -0.23 -0.07 0.15 1.05 0.00 0.00 175.02 176.69 1c89 s LYS 23 N 1.84 3.53 -1.29 4.11 -0.14 0.01 -4.81 119.74 123.00 1c89 s LYS 23 Ca 0.31 -0.59 -0.09 0.00 -1.36 0.00 0.00 55.97 54.25 1c89 s LYS 23 Cb -0.16 -2.85 0.16 0.00 -1.68 0.00 0.00 37.83 33.30 1c89 s LYS 23 CO 0.11 0.15 1.94 0.00 -0.76 0.00 0.00 175.35 176.80 1c89 n ALA 24 N 3.76 5.55 -2.81 5.17 0.00 -1.26 -1.40 120.51 129.52 1c89 n ALA 24 Ca -0.18 -4.29 -0.33 0.00 0.00 0.00 0.00 53.44 48.64 1c89 n ALA 24 Cb 0.52 -2.95 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 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 0.19 3.15 -1.18 0.00 2.12 -1.05 -4.60 118.70 117.33 1c89 s GLU 25 Ca 0.41 -0.45 -0.15 0.00 0.36 0.00 0.00 54.97 55.14 1c89 s GLU 25 Cb 0.11 -2.91 0.15 0.00 0.26 0.00 0.00 34.13 31.73 1c89 s GLU 25 CO -0.01 0.65 1.44 0.08 -0.54 0.00 0.00 175.26 176.88 1c89 s VAL 26 N -1.24 4.85 0.24 3.70 1.01 -1.26 1.00 120.40 128.69 1c89 s VAL 26 Ca 0.24 -2.37 0.03 0.00 0.00 0.00 0.00 61.98 59.88 1c89 s VAL 26 Cb -0.12 -4.94 -0.05 0.00 0.00 0.00 0.00 36.38 31.27 1c89 s VAL 26 CO 0.16 -1.67 0.01 0.68 0.00 0.00 0.00 175.10 174.28 1c89 s VAL 27 N 2.14 0.95 0.31 2.92 -7.23 -1.26 -4.93 120.40 113.30 1c89 s VAL 27 Ca 0.43 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1c89 s VAL 27 Cb -0.02 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1c89 s VAL 27 CO -0.00 -0.27 0.48 0.42 -0.31 0.00 0.00 175.10 175.42 1c89 s THR 28 N -3.48 5.08 0.43 5.32 -4.23 -1.26 -3.95 115.64 113.54 1c89 s THR 28 Ca 0.30 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.91 1c89 s THR 28 Cb 0.06 -3.83 -0.09 0.00 1.34 0.00 0.00 72.50 69.98 1c89 s THR 28 CO 0.09 -0.46 1.05 -2.16 -0.54 0.00 0.00 174.62 172.61 1c89 s PRO 29 N -4.20 4.03 -0.77 3.99 0.04 -1.26 -5.01 135.00 131.82 1c89 s PRO 29 Ca 0.38 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1c89 s PRO 29 Cb -0.09 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.93 1c89 s PRO 29 CO 0.33 -0.25 1.94 -1.33 0.04 0.00 0.00 177.00 177.74 1c89 n MET 30 N -0.35 1.63 0.00 4.56 2.81 -1.25 -4.81 117.12 119.70 1c89 n MET 30 Ca 0.06 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.37 1c89 n MET 30 Cb 0.50 -2.65 0.00 0.00 -0.71 0.00 0.00 33.22 30.36 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 4.18 -3.12 3.75 3.03 0.00 -1.26 -4.82 105.19 106.94 1c89 n GLY 31 Ca 0.45 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 5.21 1.14 -0.61 1.01 -0.84 -5.03 121.20 122.08 1c89 s ILE 32 Ca 0.00 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.22 1c89 s ILE 32 Cb 0.00 -3.72 0.27 0.00 0.01 0.00 0.00 42.46 39.02 1c89 s ILE 32 CO 0.00 0.40 1.22 -2.16 0.00 0.00 0.00 174.94 174.40 1c89 s PRO 33 N 0.22 -0.73 0.00 2.79 0.04 -1.26 -2.34 135.00 133.71 1c89 s PRO 33 Ca 0.22 -0.34 0.22 0.00 0.04 0.00 0.00 61.00 61.14 1c89 s PRO 33 Cb -0.14 -1.68 0.50 0.00 0.04 0.00 0.00 34.50 33.21 1c89 s PRO 33 CO 0.08 -3.34 1.43 0.00 0.04 0.00 0.00 177.00 175.22 1c89 n ALA 34 N -4.44 2.44 -0.34 8.56 0.00 -1.22 -4.44 120.51 121.07 1c89 n ALA 34 Ca 0.16 -0.92 0.20 0.00 0.00 0.00 0.00 53.44 52.88 1c89 n ALA 34 Cb 0.60 -0.92 0.42 0.00 0.00 0.00 0.00 19.45 19.55 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 4.00 0.43 -1.23 0.00 4.81 -1.93 0.58 114.58 121.24 1c89 h GLU 35 Ca 0.00 -0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.70 1c89 h GLU 35 Cb 0.88 -0.10 -0.22 0.00 0.63 0.00 0.00 28.75 29.95 1c89 h GLU 35 CO 0.00 0.28 0.65 0.39 -0.73 0.00 0.00 179.01 179.60 1c89 n GLU 36 N -4.98 2.24 -0.36 1.92 1.02 -1.26 -4.70 120.64 114.51 1c89 n GLU 36 Ca 0.29 -2.45 0.04 0.00 -0.02 0.00 0.00 57.16 55.01 1c89 n GLU 36 Cb 0.85 -1.96 0.11 0.00 -0.02 0.00 0.00 31.44 30.42 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 37 N 0.98 0.01 0.00 -3.67 1.08 -0.15 2.35 117.51 118.11 1c89 h ILE 37 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.93 1c89 h ILE 37 Cb 1.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1c89 h ILE 37 CO 1.17 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.82 1c89 n PRO 38 N -5.58 0.08 -0.11 2.37 -0.04 -1.26 -1.19 135.00 129.28 1c89 n PRO 38 Ca 0.14 0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.75 1c89 n PRO 38 Cb 0.46 -1.67 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.83 1.82 0.22 3.54 2.85 0.71 -4.51 115.26 118.05 1c89 n ASN 39 Ca 0.03 0.14 0.09 0.00 -0.11 0.00 0.00 54.58 54.73 1c89 n ASN 39 Cb 0.18 -0.54 0.43 0.00 1.24 0.00 0.00 39.78 41.10 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c89 h LEU 40 N -0.53 0.00-10.06 1.20 4.07 0.86 -3.43 115.31 107.42 1c89 h LEU 40 Ca -0.52 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 56.89 1c89 h LEU 40 Cb 1.55 0.00 0.18 0.00 1.08 0.00 0.00 40.66 43.47 1c89 h LEU 40 CO -0.25 0.24 0.24 0.52 -1.08 0.00 0.00 178.44 178.11 1c89 n VAL 41 N -3.40 2.81 -1.13 1.22 0.31 -0.34 -1.75 118.33 116.06 1c89 n VAL 41 Ca 0.00 -0.33 -0.07 0.00 -0.01 0.00 0.00 64.34 63.93 1c89 n VAL 41 Cb 0.44 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 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 0.87 0.69 3.68 2.92 0.00 0.67 -4.86 105.19 109.16 1c89 n GLY 42 Ca 0.14 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 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -2.44 4.27 0.41 1.61 0.00 -0.71 -4.18 119.30 118.24 1c89 s MET 43 Ca 0.00 1.85 -0.22 0.00 0.00 0.00 0.00 55.69 57.32 1c89 s MET 43 Cb 0.00 -3.68 -0.11 0.00 0.00 0.00 0.00 34.83 31.04 1c89 s MET 43 CO 0.00 -0.63 0.95 -0.65 0.00 0.00 0.00 175.02 174.69 1c89 s GLN 44 N 2.91 4.31 0.35 3.16 -1.52 -1.26 -2.60 119.66 125.01 1c89 s GLN 44 Ca 0.61 1.17 0.07 0.00 -1.95 0.00 0.00 55.36 55.26 1c89 s GLN 44 Cb -0.28 -2.31 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 1c89 s GLN 44 CO 0.23 0.04 0.36 0.14 -0.25 0.00 0.00 175.29 175.80 1c89 s VAL 45 N -2.06 3.55 -1.42 1.09 -7.23 -1.26 -4.75 120.40 108.33 1c89 s VAL 45 Ca 0.59 -1.26 0.21 0.00 -1.81 0.00 0.00 61.98 59.71 1c89 s VAL 45 Cb -0.11 -3.21 -0.12 0.00 0.56 0.00 0.00 36.38 33.49 1c89 s VAL 45 CO 0.15 -0.14 0.95 0.59 -0.31 0.00 0.00 175.10 176.34 1c89 n ASN 46 N -1.48 1.43 -3.09 4.85 5.03 -0.59 -1.66 115.26 119.76 1c89 n ASN 46 Ca -0.00 -1.22 -0.18 0.00 0.87 0.00 0.00 54.58 54.05 1c89 n ASN 46 Cb 0.59 0.75 -0.06 0.00 -1.02 0.00 0.00 39.78 40.05 1c89 n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1c89 n ARG 47 N -0.80 0.47 -2.57 3.52 1.74 -1.26 -4.82 116.66 112.93 1c89 n ARG 47 Ca 0.06 -2.76 -0.39 0.00 -0.77 0.00 0.00 57.85 53.99 1c89 n ARG 47 Cb 0.38 1.92 -0.05 0.00 -1.02 0.00 0.00 32.46 33.69 1c89 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c89 s ALA 48 N -3.01 3.31 -0.26 7.54 0.00 -1.26 -3.93 121.76 124.15 1c89 s ALA 48 Ca 0.26 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1c89 s ALA 48 Cb 0.01 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1c89 s ALA 48 CO 0.18 -0.06 -0.06 0.08 0.00 0.00 0.00 175.76 175.90 1c89 s VAL 49 N -1.30 2.74 0.22 0.00 1.01 0.52 -4.94 120.40 118.65 1c89 s VAL 49 Ca 0.47 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1c89 s VAL 49 Cb -0.28 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.71 1c89 s VAL 49 CO 0.35 0.12 0.23 -0.81 0.00 0.00 0.00 175.10 174.99 1c89 n PRO 50 N 4.62 -1.05 -2.54 2.72 -0.04 -1.26 0.16 135.00 137.61 1c89 n PRO 50 Ca -0.16 -0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 62.60 1c89 n PRO 50 Cb 0.46 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.58 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 3.96 -1.46 1.53 1.43 -1.25 -3.36 118.68 119.53 1c89 s LEU 51 Ca 0.14 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 55.13 1c89 s LEU 51 Cb -0.01 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.85 1c89 s LEU 51 CO 0.10 -0.67 0.76 0.61 0.23 0.00 0.00 176.35 177.38 1c89 n GLY 52 N -0.01 -0.51 3.63 -3.19 0.00 0.15 -4.91 105.19 100.35 1c89 n GLY 52 Ca 0.08 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.17 4.83 0.69 2.61 2.01 -0.87 -4.72 115.64 117.02 1c89 s THR 53 Ca 0.46 1.32 -0.15 0.00 0.31 0.00 0.00 61.69 63.63 1c89 s THR 53 Cb -0.22 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1c89 s THR 53 CO 0.57 -0.16 1.16 0.28 -0.69 0.00 0.00 174.62 175.78 1c89 s THR 54 N 2.87 2.78 -0.81 -0.82 -1.32 -1.26 -0.12 115.64 116.96 1c89 s THR 54 Ca 0.33 0.37 -0.22 0.00 -1.21 0.00 0.00 61.69 60.96 1c89 s THR 54 Cb -0.15 -2.91 0.08 0.00 -1.51 0.00 0.00 72.50 68.01 1c89 s THR 54 CO 0.10 -0.21 1.14 -0.22 -2.21 0.00 0.00 174.62 173.22 1c89 s LEU 55 N -4.99 4.23 -0.01 9.08 1.98 0.28 -4.82 118.68 124.43 1c89 s LEU 55 Ca 0.71 -1.28 -0.02 0.00 -2.89 0.00 0.00 54.13 50.65 1c89 s LEU 55 Cb -0.25 -2.46 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 1c89 s LEU 55 CO 0.43 -1.41 0.13 0.00 -1.89 0.00 0.00 176.35 173.61 1c89 s MET 56 N 4.10 3.25 0.01 1.98 0.23 -1.26 -1.99 119.30 125.62 1c89 s MET 56 Ca 0.31 -0.41 0.19 0.00 -1.03 0.00 0.00 55.69 54.75 1c89 s MET 56 Cb -0.09 -2.98 0.79 0.00 -1.53 0.00 0.00 34.83 31.02 1c89 s MET 56 CO 0.02 0.66 1.60 -0.35 -2.03 0.00 0.00 175.02 174.92 1c89 n PRO 57 N 1.04 0.01 -0.12 3.16 -0.04 -1.26 -3.16 135.00 134.64 1c89 n PRO 57 Ca -0.12 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1c89 n PRO 57 Cb 0.53 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.86 -0.26 3.54 1.82 -1.96 -2.96 116.42 117.46 1c89 h ASP 58 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1c89 h ASP 58 Cb 0.32 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1c89 h ASP 58 CO 0.00 1.03 0.00 0.23 -1.61 0.00 0.00 179.24 178.89 1c89 n MET 59 N -4.13 2.45 -5.21 0.28 2.81 -1.19 -4.89 117.12 107.24 1c89 n MET 59 Ca 0.01 -2.17 -0.32 0.00 -1.81 0.00 0.00 57.70 53.41 1c89 n MET 59 Cb 0.42 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.67 2.04 0.00 2.03 1.01 -1.12 -1.55 120.40 121.14 1c89 s VAL 60 Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1c89 s VAL 60 Cb 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1c89 s VAL 60 CO 0.31 0.56 0.00 0.29 0.00 0.00 0.00 175.10 176.26 1c89 n LYS 61 N 3.49 0.00 -2.48 2.72 4.76 -1.26 -4.46 118.16 120.94 1c89 n LYS 61 Ca -0.19 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 1c89 n LYS 61 Cb 0.53 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 62 N 0.00 5.28 -0.27 4.39 5.15 -1.26 -4.79 115.26 123.76 1c89 n ASN 62 Ca 0.00 -3.14 0.13 0.00 -0.60 0.00 0.00 54.58 50.97 1c89 n ASN 62 Cb 0.00 -1.46 0.40 0.00 -0.53 0.00 0.00 39.78 38.19 1c89 n ASN 62 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1c89 h TYR 63 N 5.81 0.78 0.00 1.20 -0.00 -1.95 -3.46 116.97 119.35 1c89 h TYR 63 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 58.73 59.11 1c89 h TYR 63 Cb 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 36.73 37.13 1c89 h TYR 63 CO 1.20 0.26 0.00 -0.85 -0.00 0.00 0.00 178.16 178.78 1c89 n GLU 64 N -4.57 -1.56 -0.85 0.10 0.28 -1.26 -4.36 120.64 108.42 1c89 n GLU 64 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.05 1c89 n GLU 64 Cb 0.52 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.40 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1c89 n ASP 65 N 0.02 6.09 -0.24 -1.84 8.00 -1.26 -4.35 116.55 122.96 1c89 n ASP 65 Ca 0.00 -2.86 0.05 0.00 0.71 0.00 0.00 54.79 52.68 1c89 n ASP 65 Cb 0.00 -1.12 0.20 0.00 -0.02 0.00 0.00 41.12 40.18 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c89 n GLY 66 N 0.85 -0.40 3.89 0.44 0.00 -1.26 -4.87 105.19 103.84 1c89 n GLY 66 Ca 0.24 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1c89 n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 67 N -1.85 4.00 0.00 2.61 2.01 -1.26 -5.09 115.64 116.06 1c89 s THR 67 Ca 0.16 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1c89 s THR 67 Cb 0.08 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1c89 s THR 67 CO 0.12 -0.77 0.00 1.07 -0.69 0.00 0.00 174.62 174.35 1c89 n THR 68 N -2.79 0.00 -1.87 -0.82 5.66 -1.26 -4.99 114.28 108.21 1c89 n THR 68 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 1c89 n THR 68 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.37 6.57 0.00 1.09 0.01 -1.26 -4.95 113.70 114.80 1c89 s SER 69 Ca 0.00 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1c89 s SER 69 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1c89 s SER 69 CO 0.00 -0.97 0.00 -0.81 0.41 0.00 0.00 173.24 171.87 1c89 n PRO 70 N 7.09 0.00 0.00 12.44 -0.04 -1.26 -4.83 135.00 148.39 1c89 n PRO 70 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1c89 n PRO 70 Cb 0.42 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 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 1.85 2.39 0.55 0.00 -1.26 -4.25 105.19 106.43 1c89 n GLY 71 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 6.87 -4.95 0.99 4.77 -1.26 -4.94 117.00 118.48 1c89 n LEU 72 Ca 0.00 -4.17 -0.23 0.00 -0.03 0.00 0.00 56.01 51.58 1c89 n LEU 72 Cb 0.00 -1.32 -0.00 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.84 0.21 -1.59 -1.33 0.00 0.00 177.39 176.52 1c89 s LYS 73 N -0.84 3.34 0.13 3.23 0.00 -1.26 -4.69 119.74 119.66 1c89 s LYS 73 Ca 0.60 -0.39 0.09 0.00 0.00 0.00 0.00 55.97 56.27 1c89 s LYS 73 Cb 0.31 -2.63 -0.04 0.00 0.00 0.00 0.00 37.83 35.47 1c89 s LYS 73 CO -0.14 0.01 -0.22 -1.12 0.00 0.00 0.00 175.35 173.88 1c89 s SER 74 N -4.10 2.81 0.07 0.03 0.01 -0.74 -4.44 113.70 107.34 1c89 s SER 74 Ca 0.43 -0.76 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 1c89 s SER 74 Cb -0.10 -0.17 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 1c89 s SER 74 CO 0.37 0.07 1.69 -0.69 0.41 0.00 0.00 173.24 175.08 1c89 s VAL 75 N -1.40 3.00 -0.09 3.43 1.01 0.22 -2.45 120.40 124.12 1c89 s VAL 75 Ca 0.11 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1c89 s VAL 75 Cb -0.09 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1c89 s VAL 75 CO 0.06 -0.00 -0.23 -0.69 0.00 0.00 0.00 175.10 174.23 1c89 s VAL 76 N 2.79 2.17 -0.86 2.92 1.01 -0.85 -1.06 120.40 126.52 1c89 s VAL 76 Ca 0.75 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1c89 s VAL 76 Cb -0.40 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1c89 s VAL 76 CO 0.33 0.56 1.46 0.00 0.00 0.00 0.00 175.10 177.45 1c89 s ALA 77 N 0.21 2.58 0.62 5.51 0.00 0.15 -0.04 121.76 130.80 1c89 s ALA 77 Ca -0.14 -1.68 0.36 0.00 0.00 0.00 0.00 51.96 50.49 1c89 s ALA 77 Cb -0.17 -4.40 2.08 0.00 0.00 0.00 0.00 23.12 20.63 1c89 s ALA 77 CO 0.07 -3.62 2.31 -2.95 0.00 0.00 0.00 175.76 171.57 1c89 h ASN 78 N 10.50 0.00 -5.81 0.00 -1.07 -1.71 0.53 115.58 118.03 1c89 h ASN 78 Ca -0.05 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.74 1c89 h ASN 78 Cb 1.04 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.24 1c89 h ASN 78 CO 1.33 0.00 -0.29 1.67 0.07 0.00 0.00 177.43 180.21 1c89 n GLN 79 N -3.53 0.67 -3.90 4.14 -0.06 -1.26 -2.11 117.38 111.32 1c89 n GLN 79 Ca -0.03 -3.49 -0.35 0.00 -2.00 0.00 0.00 57.00 51.12 1c89 n GLN 79 Cb 0.08 0.42 -0.08 0.00 -4.06 0.00 0.00 30.24 26.59 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1c89 s LEU 80 N 0.00 4.10 -0.18 1.69 0.20 -1.25 -3.59 118.68 119.66 1c89 s LEU 80 Ca 0.29 0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.37 1c89 s LEU 80 Cb -0.02 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.73 1c89 s LEU 80 CO 0.19 0.26 -0.19 0.27 -0.29 0.00 0.00 176.35 176.59 1c89 s ILE 81 N -0.13 1.98 -1.07 6.68 -5.25 -0.96 -4.97 121.20 117.48 1c89 s ILE 81 Ca 0.09 -0.91 -0.11 0.00 -0.99 0.00 0.00 60.65 58.73 1c89 s ILE 81 Cb -0.12 -1.81 -0.07 0.00 2.95 0.00 0.00 42.46 43.41 1c89 s ILE 81 CO 0.01 0.51 2.23 -0.81 -1.79 0.00 0.00 174.94 175.08 1c89 n PRO 82 N 4.64 2.31 -1.53 0.37 -0.04 -1.26 -2.07 135.00 137.42 1c89 n PRO 82 Ca -0.20 -1.81 0.01 0.00 -0.04 0.00 0.00 63.50 61.46 1c89 n PRO 82 Cb 0.50 -2.72 -0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1c89 n PRO 82 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1c89 n ILE 83 N 4.63 -2.55 -3.26 0.52 -0.00 -1.25 -4.83 119.36 112.62 1c89 n ILE 83 Ca 0.53 1.29 -0.16 0.00 -0.00 0.00 0.00 62.75 64.41 1c89 n ILE 83 Cb 0.24 -2.15 0.02 0.00 -0.00 0.00 0.00 39.64 37.75 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 -2.64 -6.32 -3.52 4.38 5.03 0.27 -4.93 115.26 107.53 1c89 n ASN 84 Ca -0.00 0.26 -0.20 0.00 0.87 0.00 0.00 54.58 55.50 1c89 n ASN 84 Cb 0.44 -2.07 -0.14 0.00 -1.02 0.00 0.00 39.78 37.00 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 -1.31 -0.26 -0.84 3.41 2.01 -1.26 -4.82 115.64 112.57 1c89 s THR 85 Ca 0.16 -0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1c89 s THR 85 Cb -0.02 -0.68 -0.21 0.00 0.01 0.00 0.00 72.50 71.60 1c89 s THR 85 CO 0.44 -0.26 2.23 0.00 -0.69 0.00 0.00 174.62 176.35 1c89 n ALA 86 N 5.31 0.59 -2.42 7.40 0.00 -1.25 -4.30 120.51 125.84 1c89 n ALA 86 Ca -0.06 -1.26 -0.39 0.00 0.00 0.00 0.00 53.44 51.73 1c89 n ALA 86 Cb 0.49 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 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 9.57 4.45 0.00 0.00 2.34 -0.96 -4.69 118.68 129.39 1c89 s LEU 87 Ca 1.00 1.24 0.02 0.00 0.06 0.00 0.00 54.13 56.45 1c89 s LEU 87 Cb -0.35 -2.97 -0.01 0.00 -0.56 0.00 0.00 46.19 42.30 1c89 s LEU 87 CO 0.24 0.12 0.09 0.35 -1.06 0.00 0.00 176.35 176.10 1c89 n THR 88 N 2.52 0.00 -0.07 5.48 -2.24 -1.26 0.25 114.28 118.95 1c89 n THR 88 Ca -0.07 -1.86 0.25 0.00 -2.27 0.00 0.00 64.05 60.10 1c89 n THR 88 Cb 0.51 0.60 0.64 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.56 3.22 -0.00 -1.97 0.65 115.31 117.77 1c89 h LEU 89 Ca -0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 1c89 h LEU 89 Cb 0.96 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1c89 h LEU 89 CO 0.43 0.00 -0.27 0.58 -0.00 0.00 0.00 178.44 179.18 1c89 h VAL 90 N 0.00 0.00 0.00 0.15 2.07 -1.99 -2.83 116.25 113.65 1c89 h VAL 90 Ca 0.35 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1c89 h VAL 90 Cb 1.92 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1c89 h VAL 90 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1c89 n MET 91 N -4.09 0.70 -3.34 1.57 2.81 -0.67 -4.66 117.12 109.44 1c89 n MET 91 Ca -0.09 0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 1c89 n MET 91 Cb 0.30 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.22 1c89 n MET 91 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 92 N -2.25 3.41 -0.75 0.03 -2.45 0.13 -2.66 119.30 114.76 1c89 s MET 92 Ca 0.37 -0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 54.31 1c89 s MET 92 Cb 0.20 -3.86 0.19 0.00 1.25 0.00 0.00 34.83 32.60 1c89 s MET 92 CO 0.38 -0.67 0.59 0.15 1.05 0.00 0.00 175.02 176.53 1c89 s LYS 93 N 2.14 2.86 -0.66 4.11 1.02 0.95 -4.75 119.74 125.40 1c89 s LYS 93 Ca 0.13 -2.98 -0.26 0.00 0.02 0.00 0.00 55.97 52.89 1c89 s LYS 93 Cb -0.16 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.34 1c89 s LYS 93 CO 0.13 -1.23 1.82 0.00 -0.92 0.00 0.00 175.35 175.15 1c89 s ALA 94 N -0.83 2.16 0.30 5.17 0.00 -1.26 -2.00 121.76 125.30 1c89 s ALA 94 Ca 0.23 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1c89 s ALA 94 Cb -0.13 -4.34 -0.06 0.00 0.00 0.00 0.00 23.12 18.60 1c89 s ALA 94 CO -0.09 -3.96 -0.15 -2.00 0.00 0.00 0.00 175.76 169.56 1c89 s GLU 95 N 6.91 1.69 -1.20 0.00 2.12 -1.02 -4.73 118.70 122.46 1c89 s GLU 95 Ca 0.65 -1.81 -0.20 0.00 0.36 0.00 0.00 54.97 53.96 1c89 s GLU 95 Cb -0.11 -1.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 1c89 s GLU 95 CO 0.17 0.22 1.90 -1.91 -0.54 0.00 0.00 175.26 175.11 1c89 n GLU 96 N -0.66 2.28 -4.28 4.30 0.00 -1.26 -1.80 120.64 119.23 1c89 n GLU 96 Ca -0.05 -2.67 -0.15 0.00 0.00 0.00 0.00 57.16 54.28 1c89 n GLU 96 Cb 0.62 -3.48 -0.10 0.00 0.00 0.00 0.00 31.44 28.47 1c89 n GLU 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1c89 s VAL 97 N 6.90 0.95 0.28 6.31 0.11 -1.26 -4.99 120.40 128.70 1c89 s VAL 97 Ca 0.59 -2.02 0.08 0.00 -2.93 0.00 0.00 61.98 57.70 1c89 s VAL 97 Cb 0.05 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.73 1c89 s VAL 97 CO 0.09 -0.49 0.12 -0.44 -3.33 0.00 0.00 175.10 171.05 1c89 s SER 98 N -3.22 5.03 0.69 3.54 0.01 -1.26 -4.14 113.70 114.35 1c89 s SER 98 Ca 0.24 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1c89 s SER 98 Cb 0.05 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.21 1c89 s SER 98 CO 0.05 -0.08 1.06 -2.16 0.41 0.00 0.00 173.24 172.51 1c89 s PRO 99 N -3.79 3.01 -1.18 12.44 0.04 -1.26 -4.91 135.00 139.35 1c89 s PRO 99 Ca 0.34 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1c89 s PRO 99 Cb -0.06 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1c89 s PRO 99 CO 0.23 -1.02 1.70 0.15 0.04 0.00 0.00 177.00 178.10 1c89 s LYS 100 N -5.09 3.56 0.00 4.56 3.01 -1.26 -4.88 119.74 119.63 1c89 s LYS 100 Ca 0.58 -1.51 0.00 0.00 -1.01 0.00 0.00 55.97 54.02 1c89 s LYS 100 Cb -0.13 -5.41 0.00 0.00 -1.01 0.00 0.00 37.83 31.27 1c89 s LYS 100 CO 0.55 -2.58 0.00 0.41 0.51 0.00 0.00 175.35 174.24 1c89 n GLY 101 N 5.98 0.32 3.49 -3.33 0.00 -1.26 -4.92 105.19 105.47 1c89 n GLY 101 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 3.84 0.88 -0.61 1.01 -0.47 -4.81 121.20 121.04 1c89 s ILE 102 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1c89 s ILE 102 Cb 0.00 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.91 1c89 s ILE 102 CO 0.00 0.49 1.12 -2.16 0.00 0.00 0.00 174.94 174.39 1c89 s PRO 103 N 0.40 1.38 -0.33 2.79 0.04 -1.26 -0.61 135.00 137.40 1c89 s PRO 103 Ca -0.04 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.47 1c89 s PRO 103 Cb -0.14 -1.85 0.33 0.00 0.04 0.00 0.00 34.50 32.88 1c89 s PRO 103 CO 0.03 -2.07 1.79 -1.13 0.04 0.00 0.00 177.00 175.66 1c89 n SER 104 N -3.71 5.14 -0.03 6.66 3.41 -1.26 -4.34 113.62 119.50 1c89 n SER 104 Ca 0.07 -3.10 -0.20 0.00 -0.26 0.00 0.00 58.87 55.37 1c89 n SER 104 Cb 0.58 -0.88 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1c89 h GLU 105 N 1.11 0.15 0.00 4.33 5.08 -1.95 -3.37 114.58 119.93 1c89 h GLU 105 Ca 0.37 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1c89 h GLU 105 Cb 1.49 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1c89 h GLU 105 CO 0.81 1.12 -0.83 -0.85 -1.00 0.00 0.00 179.01 178.26 1c89 n GLU 106 N -4.15 0.08 -0.11 2.33 0.28 -1.26 -4.14 120.64 113.67 1c89 n GLU 106 Ca -0.24 -0.00 0.19 0.00 -0.16 0.00 0.00 57.16 56.94 1c89 n GLU 106 Cb 0.78 -1.53 0.60 0.00 1.43 0.00 0.00 31.44 32.72 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 1c89 h ILE 107 N 0.00 0.74 -0.94 3.84 6.09 -1.77 -1.33 117.51 124.13 1c89 h ILE 107 Ca 0.00 -0.07 0.28 0.00 -1.37 0.00 0.00 64.86 63.69 1c89 h ILE 107 Cb 0.57 0.51 -0.16 0.00 0.47 0.00 0.00 36.82 38.20 1c89 h ILE 107 CO 0.00 0.04 0.20 0.28 -3.07 0.00 0.00 178.15 175.60 1c89 h SER 108 N 0.22 -0.14 0.70 2.19 0.02 -1.79 2.27 113.55 117.03 1c89 h SER 108 Ca 0.34 0.24 -0.26 0.00 -0.84 0.00 0.00 61.79 61.27 1c89 h SER 108 Cb 1.01 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 1c89 h SER 108 CO -0.07 -0.28 -1.41 0.50 -1.14 0.00 0.00 176.83 174.43 1c89 h LYS 109 N 0.10 0.00 -0.54 3.45 1.63 -1.57 -3.28 116.57 116.36 1c89 h LYS 109 Ca 0.62 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.41 1c89 h LYS 109 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1c89 h LYS 109 CO -0.78 0.71 0.00 1.28 -3.45 0.00 0.00 179.45 177.21 1c89 n LEU 110 N -3.18 2.86 -4.76 5.20 4.77 0.16 -4.94 117.00 117.12 1c89 n LEU 110 Ca -0.10 -1.44 -0.38 0.00 -0.03 0.00 0.00 56.01 54.06 1c89 n LEU 110 Cb 1.01 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1c89 n LEU 110 CO 0.46 0.59 0.93 -0.69 -1.33 0.00 0.00 177.39 177.35 1c89 s VAL 111 N -1.56 2.40 -0.77 4.08 1.01 0.72 -1.83 120.40 124.45 1c89 s VAL 111 Ca 0.32 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1c89 s VAL 111 Cb 0.19 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1c89 s VAL 111 CO 0.18 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1c89 n GLY 112 N 0.64 0.78 3.80 4.51 0.00 0.69 -4.92 105.19 110.69 1c89 n GLY 112 Ca 0.10 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1c89 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 113 N -2.39 3.05 -0.22 1.61 1.00 -0.76 -4.19 119.30 117.40 1c89 s MET 113 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 55.69 56.77 1c89 s MET 113 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 34.83 32.78 1c89 s MET 113 CO 0.00 -1.02 0.17 -0.65 0.00 0.00 0.00 175.02 173.52 1c89 s GLN 114 N -4.34 4.13 0.39 2.03 -0.21 -1.26 -2.26 119.66 118.13 1c89 s GLN 114 Ca 0.63 -0.20 -0.09 0.00 0.02 0.00 0.00 55.36 55.72 1c89 s GLN 114 Cb -0.17 -3.49 -0.06 0.00 1.00 0.00 0.00 33.01 30.29 1c89 s GLN 114 CO 0.43 0.14 0.73 0.54 -2.12 0.00 0.00 175.29 175.01 1c89 s VAL 115 N 0.82 4.84 -2.31 1.09 0.11 -1.26 -4.80 120.40 118.89 1c89 s VAL 115 Ca 0.09 0.48 0.23 0.00 -2.93 0.00 0.00 61.98 59.85 1c89 s VAL 115 Cb -0.13 -3.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.03 1c89 s VAL 115 CO 0.03 -0.51 1.13 -0.46 -3.33 0.00 0.00 175.10 171.96 1c89 n ASN 116 N -1.30 2.32 -4.63 3.54 0.23 -1.26 0.94 115.26 115.11 1c89 n ASN 116 Ca 0.01 -1.66 -0.23 0.00 -0.53 0.00 0.00 54.58 52.17 1c89 n ASN 116 Cb 0.54 0.32 -0.08 0.00 -2.08 0.00 0.00 39.78 38.49 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1c89 s ARG 117 N -2.28 2.20 -0.06 -3.83 1.81 -1.26 -4.68 118.95 110.85 1c89 s ARG 117 Ca 0.21 -1.52 -0.21 0.00 -1.72 0.00 0.00 55.73 52.50 1c89 s ARG 117 Cb 0.18 -2.08 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1c89 s ARG 117 CO 0.47 0.31 0.60 0.00 -0.68 0.00 0.00 175.30 176.00 1c89 s ALA 118 N -2.38 3.43 0.24 2.13 0.00 -1.26 -3.91 121.76 120.01 1c89 s ALA 118 Ca 0.32 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1c89 s ALA 118 Cb -0.05 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1c89 s ALA 118 CO 0.19 0.03 -0.04 0.08 0.00 0.00 0.00 175.76 176.03 1c89 s VAL 119 N 0.37 3.34 0.00 0.00 1.01 -0.88 -4.88 120.40 119.36 1c89 s VAL 119 Ca 0.32 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1c89 s VAL 119 Cb -0.17 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1c89 s VAL 119 CO 0.16 -0.31 0.00 -1.22 0.00 0.00 0.00 175.10 173.73 1c89 n TYR 120 N -0.64 -0.45 0.00 5.22 4.01 -1.26 -2.27 117.16 121.77 1c89 n TYR 120 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1c89 n TYR 120 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 -4.34 7.72 7.99 -1.24 -3.77 117.00 123.37 1c89 n LEU 121 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 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 -0.01 1.48 -0.90 -1.51 0.00 0.00 177.39 176.44 1c89 n ASP 122 N 0.00 -0.94 -4.45 -1.43 5.75 0.06 -4.38 116.55 111.16 1c89 n ASP 122 Ca 0.00 -1.19 -0.27 0.00 -0.01 0.00 0.00 54.79 53.32 1c89 n ASP 122 Cb 0.00 -0.83 -0.11 0.00 -1.03 0.00 0.00 41.12 39.14 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1c89 s GLN 123 N 6.70 1.63 0.01 0.11 2.00 -0.53 -4.41 119.66 125.18 1c89 s GLN 123 Ca 0.74 -1.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.36 1c89 s GLN 123 Cb -0.37 -1.93 -0.03 0.00 0.80 0.00 0.00 33.01 31.48 1c89 s GLN 123 CO 0.26 0.42 1.01 0.99 -0.50 0.00 0.00 175.29 177.47 1c89 s THR 124 N -1.59 4.73 0.27 -0.34 2.01 -1.26 0.34 115.64 119.80 1c89 s THR 124 Ca 0.21 1.97 -0.29 0.00 0.31 0.00 0.00 61.69 63.88 1c89 s THR 124 Cb -0.08 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1c89 s THR 124 CO 0.10 0.15 1.29 -0.22 -0.69 0.00 0.00 174.62 175.26 1c89 s LEU 125 N 1.00 4.44 0.07 4.42 2.96 -0.22 -4.90 118.68 126.45 1c89 s LEU 125 Ca 0.53 2.52 0.09 0.00 -0.22 0.00 0.00 54.13 57.04 1c89 s LEU 125 Cb -0.22 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.80 1c89 s LEU 125 CO 0.28 -0.49 -0.21 -0.04 -1.32 0.00 0.00 176.35 174.57 1c89 s MET 126 N -0.97 1.85 0.21 1.98 -1.94 -1.26 -1.37 119.30 117.79 1c89 s MET 126 Ca 0.52 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1c89 s MET 126 Cb -0.38 -2.08 0.16 0.00 2.01 0.00 0.00 34.83 34.54 1c89 s MET 126 CO 0.45 0.51 1.50 -1.00 -0.01 0.00 0.00 175.02 176.46 1c89 h PRO 127 N 4.32 0.22 0.00 2.03 0.13 -1.92 -2.96 132.00 133.82 1c89 h PRO 127 Ca -0.48 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1c89 h PRO 127 Cb 1.16 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 127 CO 0.45 0.83 0.00 -3.47 -0.23 0.00 0.00 178.00 175.58 1c89 n ASP 128 N -3.80 0.67 -0.09 1.44 -0.08 -1.26 -3.35 116.55 110.10 1c89 n ASP 128 Ca -0.03 0.66 -0.16 0.00 -1.51 0.00 0.00 54.79 53.76 1c89 n ASP 128 Cb 0.68 -0.81 -0.10 0.00 2.34 0.00 0.00 41.12 43.24 1c89 n ASP 128 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1c89 h MET 129 N 0.00 0.00 -6.06 -0.67 2.86 -1.95 -3.42 114.93 105.69 1c89 h MET 129 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1c89 h MET 129 Cb 0.38 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 1c89 h MET 129 CO 0.00 0.78 1.17 0.08 1.06 0.00 0.00 176.91 180.00 1c89 s VAL 130 N -2.24 3.58 -2.06 -2.22 1.01 -1.20 -4.54 120.40 112.74 1c89 s VAL 130 Ca -0.22 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1c89 s VAL 130 Cb 0.02 -4.45 0.29 0.00 0.00 0.00 0.00 36.38 32.25 1c89 s VAL 130 CO 0.52 -1.39 1.32 2.29 0.00 0.00 0.00 175.10 177.84 1c89 n LYS 131 N 9.12 1.48 -1.56 2.72 -0.00 -1.26 -3.99 118.16 124.68 1c89 n LYS 131 Ca 0.22 -0.74 -0.34 0.00 -0.00 0.00 0.00 58.31 57.45 1c89 n LYS 131 Cb 0.50 -1.23 0.06 0.00 -0.00 0.00 0.00 35.03 34.36 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1c89 n ASN 132 N 0.05 7.20 -3.86 -5.58 5.15 -1.26 -5.01 115.26 111.95 1c89 n ASN 132 Ca 0.10 -3.79 -0.30 0.00 -0.60 0.00 0.00 54.58 49.99 1c89 n ASN 132 Cb 0.20 -0.89 0.24 0.00 -0.53 0.00 0.00 39.78 38.80 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1c89 s TYR 133 N -3.83 0.56 -1.91 1.20 2.02 -1.26 -5.07 117.35 109.07 1c89 s TYR 133 Ca 0.60 0.53 0.15 0.00 -0.37 0.00 0.00 57.07 57.99 1c89 s TYR 133 Cb 0.48 -3.42 0.12 0.00 -0.40 0.00 0.00 41.96 38.74 1c89 s TYR 133 CO -0.07 -3.85 0.98 0.39 -1.57 0.00 0.00 175.55 171.43