#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 0.74 0.40 1.20 0.00 -1.26 -4.96 119.74 115.86 1c89 s LYS 2 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 55.97 55.02 1c89 s LYS 2 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 37.83 35.77 1c89 s LYS 2 CO 0.00 -2.27 1.30 0.00 0.00 0.00 0.00 175.35 174.38 1c89 s ALA 3 N -3.73 3.29 0.38 0.59 0.00 -1.26 -4.67 121.76 116.36 1c89 s ALA 3 Ca 0.74 1.22 0.08 0.00 0.00 0.00 0.00 51.96 54.00 1c89 s ALA 3 Cb -0.03 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1c89 s ALA 3 CO 0.51 -0.79 0.13 0.45 0.00 0.00 0.00 175.76 176.07 1c89 s SER 4 N -0.72 4.39 -0.99 0.00 0.15 0.88 -4.49 113.70 112.91 1c89 s SER 4 Ca 0.56 -1.02 -0.23 0.00 0.70 0.00 0.00 55.95 55.95 1c89 s SER 4 Cb -0.38 -0.53 0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1c89 s SER 4 CO 0.49 -0.43 1.46 -0.69 1.20 0.00 0.00 173.24 175.26 1c89 s VAL 5 N -2.56 3.89 -0.28 4.45 1.01 -0.95 -1.99 120.40 123.98 1c89 s VAL 5 Ca 0.39 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1c89 s VAL 5 Cb 0.02 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.40 1c89 s VAL 5 CO 0.22 -1.90 0.05 -0.69 0.00 0.00 0.00 175.10 172.78 1c89 s VAL 6 N 5.23 3.87 0.05 2.92 1.01 0.51 -1.81 120.40 132.16 1c89 s VAL 6 Ca 0.46 -0.62 -0.36 0.00 0.00 0.00 0.00 61.98 61.46 1c89 s VAL 6 Cb -0.01 -2.94 -0.15 0.00 0.00 0.00 0.00 36.38 33.28 1c89 s VAL 6 CO -0.08 0.16 1.54 0.00 0.00 0.00 0.00 175.10 176.73 1c89 n ALA 7 N 4.85 0.16 0.10 5.51 0.00 0.87 -3.11 120.51 128.90 1c89 n ALA 7 Ca -0.15 0.45 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1c89 n ALA 7 Cb 0.49 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 1c89 n ALA 7 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1c89 h ASN 8 N 5.92 0.71 -2.04 0.00 -1.07 -1.81 0.43 115.58 117.72 1c89 h ASN 8 Ca -0.47 -0.93 -0.47 0.00 0.07 0.00 0.00 56.30 54.51 1c89 h ASN 8 Cb 1.30 -0.23 0.08 0.00 -2.07 0.00 0.00 38.32 37.40 1c89 h ASN 8 CO 0.86 1.72 0.11 0.00 0.07 0.00 0.00 177.43 180.19 1c89 s GLN 9 N -2.57 1.62 -0.23 4.14 -2.07 -1.26 -1.93 119.66 117.36 1c89 s GLN 9 Ca -0.13 -1.18 -0.23 0.00 -1.82 0.00 0.00 55.36 52.01 1c89 s GLN 9 Cb 0.04 -2.33 -0.01 0.00 -1.09 0.00 0.00 33.01 29.62 1c89 s GLN 9 CO 0.89 -1.49 0.73 -1.17 -1.32 0.00 0.00 175.29 172.93 1c89 s LEU 10 N -5.15 4.10 -0.13 2.60 0.20 -1.26 -4.05 118.68 114.99 1c89 s LEU 10 Ca 0.67 0.92 -0.02 0.00 0.69 0.00 0.00 54.13 56.38 1c89 s LEU 10 Cb -0.05 -3.04 -0.03 0.00 -0.43 0.00 0.00 46.19 42.64 1c89 s LEU 10 CO 0.45 -0.41 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.43 1c89 s ILE 11 N 2.47 3.92 0.00 6.68 -1.09 0.11 -4.95 121.20 128.34 1c89 s ILE 11 Ca 0.32 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1c89 s ILE 11 Cb -0.16 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1c89 s ILE 11 CO 0.09 0.53 0.00 -0.81 -1.23 0.00 0.00 174.94 173.52 1c89 n PRO 12 N 3.05 1.05 -2.93 2.79 -0.04 -1.26 0.18 135.00 137.84 1c89 n PRO 12 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 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 0.96 -0.04 0.00 0.00 175.50 176.42 1c89 s ILE 13 N 0.00 4.91 -0.90 0.52 -0.00 -1.26 -4.23 121.20 120.24 1c89 s ILE 13 Ca 0.00 0.24 -0.07 0.00 -0.00 0.00 0.00 60.65 60.81 1c89 s ILE 13 Cb 0.00 -3.79 0.00 0.00 -0.00 0.00 0.00 42.46 38.67 1c89 s ILE 13 CO 0.00 -0.60 0.66 0.59 -0.00 0.00 0.00 174.94 175.59 1c89 n ASN 14 N -1.62 -5.36 -3.76 4.36 3.02 0.24 -4.87 115.26 107.26 1c89 n ASN 14 Ca 0.00 -0.86 -0.24 0.00 -0.03 0.00 0.00 54.58 53.45 1c89 n ASN 14 Cb 0.55 -2.56 -0.17 0.00 -0.61 0.00 0.00 39.78 36.98 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 -3.13 0.42 -0.83 3.41 2.01 -1.26 -4.84 115.64 111.43 1c89 s THR 15 Ca 0.13 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.83 1c89 s THR 15 Cb -0.06 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1c89 s THR 15 CO 0.88 0.15 1.88 0.00 -0.69 0.00 0.00 174.62 176.84 1c89 s ALA 16 N 1.94 1.88 0.59 7.40 0.00 -1.20 -4.03 121.76 128.34 1c89 s ALA 16 Ca 0.04 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 1c89 s ALA 16 Cb -0.13 -4.48 -0.10 0.00 0.00 0.00 0.00 23.12 18.41 1c89 s ALA 16 CO -0.06 -4.48 0.32 1.28 0.00 0.00 0.00 175.76 172.82 1c89 n LEU 17 N 13.27 -0.54 -4.74 0.00 4.77 -0.92 -4.20 117.00 124.64 1c89 n LEU 17 Ca 0.34 0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 56.67 1c89 n LEU 17 Cb 0.49 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 1c89 n LEU 17 CO 0.63 -3.60 -0.26 0.42 -1.33 0.00 0.00 177.39 173.26 1c89 s THR 18 N -1.83 1.22 0.29 -5.08 -4.23 -1.26 0.23 115.64 104.98 1c89 s THR 18 Ca 0.64 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1c89 s THR 18 Cb -0.43 -2.24 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1c89 s THR 18 CO 0.59 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.78 1c89 h LEU 19 N 1.40 0.93 0.26 4.79 6.46 -1.94 0.35 115.31 127.55 1c89 h LEU 19 Ca -0.44 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 1c89 h LEU 19 Cb 1.31 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1c89 h LEU 19 CO 0.74 0.53 -0.12 0.40 -0.62 0.00 0.00 178.44 179.37 1c89 h ILE 20 N 1.02 0.79 0.00 4.05 5.03 -2.01 -2.43 117.51 123.95 1c89 h ILE 20 Ca 0.46 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.89 1c89 h ILE 20 Cb 0.38 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 1c89 h ILE 20 CO -0.22 0.07 0.00 0.24 -0.68 0.00 0.00 178.15 177.56 1c89 h MET 21 N -0.50 0.00 -5.74 2.37 2.86 -1.82 -3.41 114.93 108.70 1c89 h MET 21 Ca -0.04 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.99 1c89 h MET 21 Cb 0.38 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.91 1c89 h MET 21 CO 0.06 0.00 0.54 1.41 1.06 0.00 0.00 176.91 179.98 1c89 s MET 22 N -3.37 3.27 -0.19 1.72 0.00 0.12 -2.61 119.30 118.24 1c89 s MET 22 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 55.69 55.28 1c89 s MET 22 Cb 0.09 -4.09 -0.02 0.00 0.00 0.00 0.00 34.83 30.82 1c89 s MET 22 CO 0.42 -1.55 -0.05 0.15 0.00 0.00 0.00 175.02 173.99 1c89 s LYS 23 N 3.93 3.47 -1.26 4.11 1.02 -1.18 -4.87 119.74 124.96 1c89 s LYS 23 Ca 0.28 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 1c89 s LYS 23 Cb -0.14 -2.93 0.16 0.00 -0.52 0.00 0.00 37.83 34.41 1c89 s LYS 23 CO 0.17 -0.01 1.70 0.00 -0.92 0.00 0.00 175.35 176.29 1c89 n ALA 24 N 4.24 4.66 -2.93 5.17 0.00 -1.25 -0.37 120.51 130.03 1c89 n ALA 24 Ca -0.18 -4.25 -0.26 0.00 0.00 0.00 0.00 53.44 48.75 1c89 n ALA 24 Cb 0.52 -3.06 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 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 1.15 3.40 -0.64 0.00 2.12 -0.84 -4.51 118.70 119.39 1c89 s GLU 25 Ca 0.42 -0.62 -0.22 0.00 0.36 0.00 0.00 54.97 54.91 1c89 s GLU 25 Cb 0.04 -2.94 0.07 0.00 0.26 0.00 0.00 34.13 31.56 1c89 s GLU 25 CO 0.00 0.52 0.94 0.08 -0.54 0.00 0.00 175.26 176.26 1c89 s VAL 26 N -1.74 4.37 -0.06 3.70 1.01 -1.26 -0.08 120.40 126.34 1c89 s VAL 26 Ca 0.34 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1c89 s VAL 26 Cb -0.11 -4.65 0.05 0.00 0.00 0.00 0.00 36.38 31.66 1c89 s VAL 26 CO 0.28 -1.40 0.49 0.68 0.00 0.00 0.00 175.10 175.16 1c89 s VAL 27 N 3.93 0.03 0.39 2.92 -7.23 -1.26 -4.98 120.40 114.20 1c89 s VAL 27 Ca 0.22 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.25 1c89 s VAL 27 Cb -0.17 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 1c89 s VAL 27 CO 0.11 -0.12 0.47 0.42 -0.31 0.00 0.00 175.10 175.67 1c89 s THR 28 N -1.04 3.16 0.49 5.32 -4.23 -1.26 -4.22 115.64 113.86 1c89 s THR 28 Ca -0.11 -1.13 -0.20 0.00 -1.18 0.00 0.00 61.69 59.07 1c89 s THR 28 Cb -0.03 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1c89 s THR 28 CO 0.06 -0.05 1.07 -2.16 -0.54 0.00 0.00 174.62 173.00 1c89 s PRO 29 N -4.22 3.72 0.26 3.99 0.04 -1.26 -5.03 135.00 132.50 1c89 s PRO 29 Ca 0.50 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1c89 s PRO 29 Cb -0.08 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1c89 s PRO 29 CO 0.31 -0.52 1.35 0.00 0.04 0.00 0.00 177.00 178.18 1c89 s MET 30 N -3.18 4.34 0.00 4.56 0.23 -1.26 -4.96 119.30 119.03 1c89 s MET 30 Ca 0.68 2.19 0.00 0.00 -1.03 0.00 0.00 55.69 57.53 1c89 s MET 30 Cb -0.19 -3.12 0.00 0.00 -1.53 0.00 0.00 34.83 29.99 1c89 s MET 30 CO 0.23 -0.28 0.00 0.41 -2.03 0.00 0.00 175.02 173.35 1c89 n GLY 31 N 1.74 1.33 3.53 3.16 0.00 -1.26 -5.05 105.19 108.65 1c89 n GLY 31 Ca 0.04 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 1.25 4.59 1.01 -0.61 1.01 -0.75 -4.99 121.20 122.71 1c89 s ILE 32 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 1c89 s ILE 32 Cb 0.00 -3.12 0.19 0.00 0.01 0.00 0.00 42.46 39.54 1c89 s ILE 32 CO 0.00 0.38 1.13 -2.16 0.00 0.00 0.00 174.94 174.28 1c89 s PRO 33 N 1.14 0.32 0.00 2.79 0.04 -1.26 -2.24 135.00 135.79 1c89 s PRO 33 Ca 0.05 0.24 0.15 0.00 0.04 0.00 0.00 61.00 61.47 1c89 s PRO 33 Cb -0.14 -1.75 0.66 0.00 0.04 0.00 0.00 34.50 33.31 1c89 s PRO 33 CO 0.04 -2.74 1.46 0.00 0.04 0.00 0.00 177.00 175.79 1c89 n ALA 34 N -4.13 2.53 -0.15 8.56 0.00 -1.26 -4.30 120.51 121.76 1c89 n ALA 34 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1c89 n ALA 34 Cb 0.59 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 1.16 -0.30 -2.60 0.00 4.22 -1.95 -1.85 114.58 113.26 1c89 h GLU 35 Ca 0.00 0.02 -0.78 0.00 0.08 0.00 0.00 59.36 58.69 1c89 h GLU 35 Cb 0.26 0.07 -0.20 0.00 0.50 0.00 0.00 28.75 29.38 1c89 h GLU 35 CO 0.00 -0.20 1.71 0.39 -2.18 0.00 0.00 179.01 178.74 1c89 n GLU 36 N -5.41 4.81 0.16 1.92 -0.58 -1.26 -4.72 120.64 115.56 1c89 n GLU 36 Ca -0.00 -4.02 0.01 0.00 -0.42 0.00 0.00 57.16 52.73 1c89 n GLU 36 Cb 0.35 -2.59 0.33 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 2.65 1.27 0.00 -3.67 6.09 -1.64 0.30 117.51 122.52 1c89 h ILE 37 Ca 0.56 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 1c89 h ILE 37 Cb 0.37 1.65 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1c89 h ILE 37 CO 1.37 0.38 -0.00 -0.81 -3.07 0.00 0.00 178.15 176.01 1c89 n PRO 38 N -4.09 0.16 -0.10 2.19 -0.04 -1.26 -2.19 135.00 129.67 1c89 n PRO 38 Ca -0.02 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1c89 n PRO 38 Cb 0.41 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.97 2.22 -0.00 3.54 4.13 -0.90 -4.56 115.26 117.71 1c89 n ASN 39 Ca 0.06 -0.02 -0.12 0.00 1.68 0.00 0.00 54.58 56.18 1c89 n ASN 39 Cb 0.40 -0.39 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1c89 h LEU 40 N -0.18 0.70 -9.34 3.41 -0.00 -0.52 -3.45 115.31 105.93 1c89 h LEU 40 Ca -0.48 -0.41 -0.59 0.00 -0.00 0.00 0.00 57.88 56.41 1c89 h LEU 40 Cb 1.65 -0.20 0.17 0.00 -0.00 0.00 0.00 40.66 42.28 1c89 h LEU 40 CO -0.13 1.16 -0.60 0.52 -0.00 0.00 0.00 178.44 179.38 1c89 n VAL 41 N -3.94 1.59 -1.22 1.22 0.31 -0.93 -1.11 118.33 114.25 1c89 n VAL 41 Ca -0.04 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.71 1c89 n VAL 41 Cb 0.65 -0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.98 0.90 3.77 2.92 0.00 0.61 -4.87 105.19 110.50 1c89 n GLY 42 Ca 0.11 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.34 3.70 -0.21 1.61 0.00 -0.27 -4.17 119.30 117.62 1c89 s MET 43 Ca 0.00 1.71 -0.10 0.00 0.00 0.00 0.00 55.69 57.30 1c89 s MET 43 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 34.83 32.46 1c89 s MET 43 CO 0.00 -0.58 0.13 -0.65 0.00 0.00 0.00 175.02 173.91 1c89 s GLN 44 N -2.83 4.13 0.48 3.16 -0.21 -1.26 -2.17 119.66 120.96 1c89 s GLN 44 Ca 0.65 -0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.72 1c89 s GLN 44 Cb -0.27 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 1c89 s GLN 44 CO 0.32 0.23 0.80 0.14 -2.12 0.00 0.00 175.29 174.66 1c89 s VAL 45 N 0.56 4.88 -2.67 1.09 -7.23 -1.26 -4.25 120.40 111.51 1c89 s VAL 45 Ca 0.07 0.32 0.22 0.00 -1.81 0.00 0.00 61.98 60.78 1c89 s VAL 45 Cb -0.12 -3.84 0.22 0.00 0.56 0.00 0.00 36.38 33.20 1c89 s VAL 45 CO 0.00 -0.82 1.24 0.59 -0.31 0.00 0.00 175.10 175.80 1c89 n ASN 46 N -2.13 2.96 -3.61 4.85 3.02 0.59 -0.59 115.26 120.35 1c89 n ASN 46 Ca 0.01 -1.93 -0.13 0.00 -0.03 0.00 0.00 54.58 52.50 1c89 n ASN 46 Cb 0.55 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 s ARG 47 N -1.76 1.69 0.49 3.52 1.70 -1.26 -4.88 118.95 118.45 1c89 s ARG 47 Ca 0.28 -1.62 -0.22 0.00 -0.47 0.00 0.00 55.73 53.69 1c89 s ARG 47 Cb 0.19 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 1c89 s ARG 47 CO 0.28 -0.67 1.22 0.00 -1.08 0.00 0.00 175.30 175.05 1c89 s ALA 48 N -3.52 2.91 -0.22 7.88 0.00 -1.26 -4.14 121.76 123.41 1c89 s ALA 48 Ca 0.31 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1c89 s ALA 48 Cb 0.01 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1c89 s ALA 48 CO 0.16 -0.87 -0.15 0.08 0.00 0.00 0.00 175.76 174.98 1c89 s VAL 49 N -1.48 2.09 1.16 0.00 1.01 0.49 -4.99 120.40 118.67 1c89 s VAL 49 Ca 0.66 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1c89 s VAL 49 Cb -0.32 -2.06 0.27 0.00 0.00 0.00 0.00 36.38 34.28 1c89 s VAL 49 CO 0.38 0.24 1.15 -2.16 0.00 0.00 0.00 175.10 174.70 1c89 s PRO 50 N 1.20 -0.93 0.03 2.72 0.04 -1.26 0.09 135.00 136.89 1c89 s PRO 50 Ca -0.02 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 1c89 s PRO 50 Cb -0.17 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1c89 s PRO 50 CO -0.09 -3.51 1.28 -0.51 0.04 0.00 0.00 177.00 174.21 1c89 s LEU 51 N -6.77 4.34 -0.18 -3.56 1.43 -1.26 -3.04 118.68 109.64 1c89 s LEU 51 Ca 0.71 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.86 1c89 s LEU 51 Cb -0.09 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1c89 s LEU 51 CO 0.55 -0.58 0.08 0.61 0.23 0.00 0.00 176.35 177.24 1c89 n GLY 52 N 3.39 0.54 3.68 -3.19 0.00 0.14 -4.95 105.19 104.81 1c89 n GLY 52 Ca 0.11 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.62 4.99 0.52 2.61 2.01 -0.31 -4.76 115.64 118.08 1c89 s THR 53 Ca 0.04 1.41 -0.20 0.00 0.31 0.00 0.00 61.69 63.25 1c89 s THR 53 Cb -0.02 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 1c89 s THR 53 CO 0.05 0.14 1.13 0.28 -0.69 0.00 0.00 174.62 175.52 1c89 s THR 54 N 1.57 3.20 -0.62 -0.82 -1.32 -1.26 -0.09 115.64 116.31 1c89 s THR 54 Ca 0.35 0.78 -0.27 0.00 -1.21 0.00 0.00 61.69 61.34 1c89 s THR 54 Cb -0.17 -3.34 0.03 0.00 -1.51 0.00 0.00 72.50 67.52 1c89 s THR 54 CO 0.14 -0.13 1.18 -0.22 -2.21 0.00 0.00 174.62 173.37 1c89 s LEU 55 N -3.60 3.49 0.35 9.08 1.98 -0.75 -4.83 118.68 124.39 1c89 s LEU 55 Ca 0.70 -0.10 0.07 0.00 -2.89 0.00 0.00 54.13 51.91 1c89 s LEU 55 Cb -0.24 -2.97 -0.02 0.00 0.66 0.00 0.00 46.19 43.62 1c89 s LEU 55 CO 0.28 -1.53 0.39 -0.04 -1.89 0.00 0.00 176.35 173.56 1c89 s MET 56 N 4.99 2.89 0.08 1.98 -1.94 -1.26 -1.81 119.30 124.24 1c89 s MET 56 Ca 0.39 -1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 53.04 1c89 s MET 56 Cb -0.08 -2.64 -0.15 0.00 2.01 0.00 0.00 34.83 33.97 1c89 s MET 56 CO 0.22 0.04 1.31 -1.00 -0.01 0.00 0.00 175.02 175.58 1c89 h PRO 57 N 1.04 0.70 0.00 2.03 0.13 -1.94 -2.93 132.00 131.03 1c89 h PRO 57 Ca -0.45 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1c89 h PRO 57 Cb 1.26 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1c89 h PRO 57 CO 0.55 1.14 0.00 -0.40 -0.23 0.00 0.00 178.00 179.06 1c89 n ASP 58 N -4.10 0.49 -0.03 1.44 5.75 -1.26 -1.98 116.55 116.85 1c89 n ASP 58 Ca -0.07 0.69 -0.14 0.00 -0.01 0.00 0.00 54.79 55.27 1c89 n ASP 58 Cb 0.64 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 39.82 1c89 n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1c89 n MET 59 N -2.12 0.68 -4.93 0.11 2.81 -1.12 -4.81 117.12 107.74 1c89 n MET 59 Ca -0.00 0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.80 1c89 n MET 59 Cb 0.09 -1.71 -0.14 0.00 -0.71 0.00 0.00 33.22 30.75 1c89 n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 60 N -2.56 2.94 0.00 2.03 1.01 -0.84 0.22 120.40 123.20 1c89 s VAL 60 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1c89 s VAL 60 Cb 0.07 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1c89 s VAL 60 CO 0.79 0.58 0.00 0.29 0.00 0.00 0.00 175.10 176.76 1c89 n LYS 61 N 2.44 0.00 -2.32 2.72 4.76 -1.26 -4.40 118.16 120.10 1c89 n LYS 61 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 1c89 n LYS 61 Cb 0.52 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 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 6.04 -0.35 4.39 4.05 -1.26 -4.77 115.26 123.36 1c89 n ASN 62 Ca 0.00 -3.16 0.10 0.00 0.45 0.00 0.00 54.58 51.96 1c89 n ASN 62 Cb 0.00 -1.42 0.28 0.00 1.23 0.00 0.00 39.78 39.87 1c89 n ASN 62 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1c89 h TYR 63 N 5.37 1.08 0.00 1.20 -0.00 -1.95 -3.47 116.97 119.20 1c89 h TYR 63 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 58.73 59.22 1c89 h TYR 63 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 36.73 36.93 1c89 h TYR 63 CO 1.32 0.37 0.00 -0.85 -0.00 0.00 0.00 178.16 179.00 1c89 n GLU 64 N -4.65 0.00 -0.88 0.10 0.28 -1.26 -4.27 120.64 109.95 1c89 n GLU 64 Ca 0.20 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 1c89 n GLU 64 Cb 0.43 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.27 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 0.00 5.81 -1.74 -1.84 2.03 -1.26 -4.29 116.55 115.26 1c89 n ASP 65 Ca 0.00 -2.73 -0.10 0.00 0.52 0.00 0.00 54.79 52.48 1c89 n ASP 65 Cb 0.00 -1.19 0.23 0.00 -0.72 0.00 0.00 41.12 39.44 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c89 n GLY 66 N 1.32 4.33 3.87 0.27 0.00 -1.26 -5.00 105.19 108.73 1c89 n GLY 66 Ca 0.26 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -3.16 2.23 0.00 2.61 -4.23 -1.26 -5.08 115.64 106.76 1c89 s THR 67 Ca 0.52 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1c89 s THR 67 Cb 0.44 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1c89 s THR 67 CO 0.08 -0.10 0.00 0.35 -0.54 0.00 0.00 174.62 174.41 1c89 n THR 68 N -3.36 0.00 -1.75 3.99 -2.24 -1.23 -5.00 114.28 104.68 1c89 n THR 68 Ca 0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 1c89 n THR 68 Cb 0.60 -0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c89 s SER 69 N -1.00 4.97 0.00 3.42 0.01 -1.26 -4.84 113.70 115.00 1c89 s SER 69 Ca 0.00 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1c89 s SER 69 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1c89 s SER 69 CO 0.00 -1.73 0.00 -0.81 0.41 0.00 0.00 173.24 171.11 1c89 n PRO 70 N -2.32 2.03 0.00 12.44 -0.04 -1.26 -4.61 135.00 141.25 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 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.92 2.07 2.37 0.55 0.00 -1.26 -4.63 105.19 107.22 1c89 n GLY 71 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 6.26 -4.67 0.99 4.77 -1.26 -4.93 117.00 118.16 1c89 n LEU 72 Ca 0.00 -3.89 -0.43 0.00 -0.03 0.00 0.00 56.01 51.66 1c89 n LEU 72 Cb 0.00 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 39.78 1c89 n LEU 72 CO 0.00 1.74 0.90 -0.54 -1.33 0.00 0.00 177.39 178.16 1c89 s LYS 73 N -1.01 4.29 0.15 3.23 1.02 -1.26 -4.35 119.74 121.80 1c89 s LYS 73 Ca 0.61 1.39 0.04 0.00 0.02 0.00 0.00 55.97 58.03 1c89 s LYS 73 Cb 0.36 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1c89 s LYS 73 CO -0.17 -0.57 0.17 -1.54 -0.92 0.00 0.00 175.35 172.33 1c89 s SER 74 N 1.23 5.77 -0.07 2.83 1.04 -0.86 -4.06 113.70 119.57 1c89 s SER 74 Ca 0.46 -0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.57 1c89 s SER 74 Cb -0.16 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 1c89 s SER 74 CO 0.09 0.08 1.13 -0.69 0.98 0.00 0.00 173.24 174.83 1c89 s VAL 75 N -1.70 4.45 0.01 5.02 1.01 -0.82 -1.39 120.40 126.96 1c89 s VAL 75 Ca 0.32 1.75 0.08 0.00 0.00 0.00 0.00 61.98 64.13 1c89 s VAL 75 Cb -0.11 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1c89 s VAL 75 CO 0.25 0.00 -0.24 -0.69 0.00 0.00 0.00 175.10 174.42 1c89 s VAL 76 N 2.11 1.90 -1.04 2.92 1.01 0.56 -1.88 120.40 125.98 1c89 s VAL 76 Ca 0.53 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 1c89 s VAL 76 Cb -0.22 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1c89 s VAL 76 CO 0.21 0.44 1.45 0.00 0.00 0.00 0.00 175.10 177.20 1c89 s ALA 77 N -0.65 2.81 0.41 5.51 0.00 0.85 -0.50 121.76 130.18 1c89 s ALA 77 Ca 0.09 -2.35 0.10 0.00 0.00 0.00 0.00 51.96 49.81 1c89 s ALA 77 Cb -0.09 -4.50 0.91 0.00 0.00 0.00 0.00 23.12 19.44 1c89 s ALA 77 CO 0.00 -3.55 1.99 -0.97 0.00 0.00 0.00 175.76 173.23 1c89 h ASN 78 N 9.55 0.48 -3.56 0.00 -0.73 -1.79 0.16 115.58 119.69 1c89 h ASN 78 Ca 0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1c89 h ASN 78 Cb 1.00 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1c89 h ASN 78 CO 1.41 0.30 0.00 0.00 -0.37 0.00 0.00 177.43 178.77 1c89 n GLN 79 N -4.48 1.44 -3.79 6.67 6.02 -1.26 -2.53 117.38 119.46 1c89 n GLN 79 Ca 0.09 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1c89 n GLN 79 Cb 0.28 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.43 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 3.91 -0.14 1.08 0.20 -1.26 -3.59 118.68 118.89 1c89 s LEU 80 Ca 0.00 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.88 1c89 s LEU 80 Cb 0.00 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.73 1c89 s LEU 80 CO 0.00 0.09 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.34 1c89 s ILE 81 N 0.92 2.54 0.51 6.68 1.01 -0.73 -4.97 121.20 127.16 1c89 s ILE 81 Ca 0.06 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 1c89 s ILE 81 Cb -0.13 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 1c89 s ILE 81 CO 0.03 0.53 1.09 -2.16 0.00 0.00 0.00 174.94 174.43 1c89 s PRO 82 N 0.63 3.61 1.01 2.79 0.04 -1.26 -0.96 135.00 140.86 1c89 s PRO 82 Ca -0.09 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1c89 s PRO 82 Cb -0.16 -2.11 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1c89 s PRO 82 CO 0.03 -0.62 -0.79 -0.89 0.04 0.00 0.00 177.00 174.76 1c89 n ILE 83 N -1.03 0.00 -3.59 0.56 5.41 -1.25 -3.48 119.36 115.98 1c89 n ILE 83 Ca 0.10 -0.27 -0.28 0.00 1.00 0.00 0.00 62.75 63.30 1c89 n ILE 83 Cb 0.51 -0.16 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 -0.46 0.00 0.00 0.00 176.55 176.09 1c89 n ASN 84 N 2.22 -4.69 -3.52 4.38 0.23 0.05 -4.95 115.26 108.98 1c89 n ASN 84 Ca -0.00 -0.65 -0.21 0.00 -0.53 0.00 0.00 54.58 53.18 1c89 n ASN 84 Cb 0.63 -1.48 -0.14 0.00 -2.08 0.00 0.00 39.78 36.71 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 -2.37 -0.24 -0.88 5.53 2.01 -1.23 -4.85 115.64 113.61 1c89 s THR 85 Ca 0.13 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 1c89 s THR 85 Cb -0.01 -0.72 -0.23 0.00 0.01 0.00 0.00 72.50 71.55 1c89 s THR 85 CO 0.83 -0.31 2.30 0.00 -0.69 0.00 0.00 174.62 176.75 1c89 n ALA 86 N 5.30 0.69 -2.21 7.40 0.00 -1.26 -4.16 120.51 126.29 1c89 n ALA 86 Ca -0.06 -1.14 -0.35 0.00 0.00 0.00 0.00 53.44 51.89 1c89 n ALA 86 Cb 0.48 -2.89 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 8.22 4.29 0.41 0.00 2.34 -1.01 -4.68 118.68 128.26 1c89 s LEU 87 Ca 1.10 1.26 0.03 0.00 0.06 0.00 0.00 54.13 56.59 1c89 s LEU 87 Cb -0.45 -3.56 -0.03 0.00 -0.56 0.00 0.00 46.19 41.59 1c89 s LEU 87 CO 0.30 0.01 0.10 0.42 -1.06 0.00 0.00 176.35 176.13 1c89 s THR 88 N -1.59 0.76 0.61 5.48 -4.23 -1.26 0.89 115.64 116.30 1c89 s THR 88 Ca 0.43 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.24 1c89 s THR 88 Cb -0.15 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.66 1c89 s THR 88 CO 0.20 0.00 2.00 0.17 -0.54 0.00 0.00 174.62 176.45 1c89 h LEU 89 N 1.78 0.00 0.82 4.79 -0.00 -1.95 -1.63 115.31 119.11 1c89 h LEU 89 Ca -0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.47 1c89 h LEU 89 Cb 1.27 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.94 1c89 h LEU 89 CO 0.61 0.00 -0.40 0.58 -0.00 0.00 0.00 178.44 179.23 1c89 h VAL 90 N 0.00 0.12 0.00 0.15 2.07 -2.01 -2.79 116.25 113.78 1c89 h VAL 90 Ca 0.11 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1c89 h VAL 90 Cb 0.76 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1c89 h VAL 90 CO -0.00 0.01 0.00 0.23 0.02 0.00 0.00 177.57 177.83 1c89 n MET 91 N -5.53 0.22 -4.09 1.57 2.81 -0.91 -4.71 117.12 106.48 1c89 n MET 91 Ca -0.14 0.36 -0.35 0.00 -1.81 0.00 0.00 57.70 55.76 1c89 n MET 91 Cb 0.44 -1.86 -0.07 0.00 -0.71 0.00 0.00 33.22 31.02 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 -3.26 3.18 -0.20 0.03 1.00 -0.66 -3.83 119.30 115.56 1c89 s MET 92 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 55.69 55.41 1c89 s MET 92 Cb 0.10 -2.96 0.03 0.00 0.00 0.00 0.00 34.83 32.00 1c89 s MET 92 CO 0.46 0.70 -0.17 0.15 0.00 0.00 0.00 175.02 176.16 1c89 s LYS 93 N -1.34 2.84 -0.70 2.03 1.02 0.34 -4.71 119.74 119.22 1c89 s LYS 93 Ca 0.19 -0.94 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 1c89 s LYS 93 Cb -0.12 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1c89 s LYS 93 CO 0.09 -0.29 1.12 0.00 -0.92 0.00 0.00 175.35 175.34 1c89 s ALA 94 N 1.26 2.94 0.04 5.17 0.00 -1.26 -0.32 121.76 129.59 1c89 s ALA 94 Ca 0.02 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.45 1c89 s ALA 94 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 1c89 s ALA 94 CO -0.11 -3.02 -0.23 -1.83 0.00 0.00 0.00 175.76 170.58 1c89 s GLU 95 N 4.87 1.54 -1.10 0.00 -1.05 -0.49 -4.72 118.70 117.75 1c89 s GLU 95 Ca 0.28 -0.99 -0.23 0.00 -0.15 0.00 0.00 54.97 53.88 1c89 s GLU 95 Cb -0.13 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1c89 s GLU 95 CO 0.13 0.43 1.87 -2.00 0.95 0.00 0.00 175.26 176.64 1c89 s GLU 96 N -1.18 2.79 0.21 -4.83 -6.30 -1.26 -2.03 118.70 106.11 1c89 s GLU 96 Ca 0.09 -1.00 0.01 0.00 -2.50 0.00 0.00 54.97 51.57 1c89 s GLU 96 Cb -0.09 -5.24 -0.05 0.00 0.00 0.00 0.00 34.13 28.75 1c89 s GLU 96 CO 0.02 -3.43 0.05 0.54 0.02 0.00 0.00 175.26 172.46 1c89 s VAL 97 N 9.37 0.57 0.23 3.70 0.11 -1.26 -3.53 120.40 129.59 1c89 s VAL 97 Ca 0.65 -1.99 0.07 0.00 -2.93 0.00 0.00 61.98 57.78 1c89 s VAL 97 Cb -0.02 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1c89 s VAL 97 CO 0.06 -0.24 0.16 -0.94 -3.33 0.00 0.00 175.10 170.81 1c89 s SER 98 N -3.23 5.40 1.01 3.54 1.04 -1.26 -4.26 113.70 115.94 1c89 s SER 98 Ca 0.31 -0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 1c89 s SER 98 Cb 0.07 -1.34 0.20 0.00 0.10 0.00 0.00 66.02 65.05 1c89 s SER 98 CO 0.09 -0.00 1.21 -2.16 0.98 0.00 0.00 173.24 173.35 1c89 s PRO 99 N -3.62 0.31 -0.60 4.02 0.04 -1.26 -5.02 135.00 128.88 1c89 s PRO 99 Ca 0.32 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.99 1c89 s PRO 99 Cb -0.08 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1c89 s PRO 99 CO 0.24 -2.68 1.09 -1.59 0.04 0.00 0.00 177.00 174.10 1c89 s LYS 100 N -5.59 3.37 0.00 4.56 0.00 -1.26 -4.97 119.74 115.86 1c89 s LYS 100 Ca 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.58 1c89 s LYS 100 Cb -0.09 -4.07 0.00 0.00 0.00 0.00 0.00 37.83 33.68 1c89 s LYS 100 CO 0.54 -1.68 0.00 0.41 0.00 0.00 0.00 175.35 174.61 1c89 n GLY 101 N 5.15 0.75 3.42 0.59 0.00 -1.26 -5.01 105.19 108.82 1c89 n GLY 101 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 1.34 3.85 0.69 -0.61 1.01 -0.54 -4.88 121.20 122.06 1c89 s ILE 102 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1c89 s ILE 102 Cb 0.00 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1c89 s ILE 102 CO 0.00 0.42 1.08 -2.16 0.00 0.00 0.00 174.94 174.28 1c89 s PRO 103 N 1.17 2.78 -0.42 2.79 0.04 -1.26 -1.95 135.00 138.14 1c89 s PRO 103 Ca 0.03 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1c89 s PRO 103 Cb -0.14 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1c89 s PRO 103 CO 0.01 -1.23 3.04 0.45 0.04 0.00 0.00 177.00 179.31 1c89 n SER 104 N -2.89 6.29 -0.05 6.66 2.88 -1.26 -4.52 113.62 120.72 1c89 n SER 104 Ca 0.09 -2.93 -0.02 0.00 -1.33 0.00 0.00 58.87 54.67 1c89 n SER 104 Cb 0.53 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.65 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1c89 h GLU 105 N 3.22 0.00 -0.63 -1.46 5.08 -1.93 -3.36 114.58 115.49 1c89 h GLU 105 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1c89 h GLU 105 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1c89 h GLU 105 CO 0.75 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 1c89 n GLU 106 N -4.74 2.73 -0.31 2.33 1.02 -1.26 -4.43 120.64 115.98 1c89 n GLU 106 Ca -0.02 -2.30 0.19 0.00 -0.02 0.00 0.00 57.16 55.01 1c89 n GLU 106 Cb 0.09 -1.59 0.46 0.00 -0.02 0.00 0.00 31.44 30.38 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 3.58 0.60 -1.14 -3.67 6.09 -1.84 0.78 117.51 121.93 1c89 h ILE 107 Ca 0.00 -0.17 0.37 0.00 -1.37 0.00 0.00 64.86 63.69 1c89 h ILE 107 Cb 0.98 0.06 -0.14 0.00 0.47 0.00 0.00 36.82 38.19 1c89 h ILE 107 CO 0.07 0.09 0.70 -1.28 -3.07 0.00 0.00 178.15 174.65 1c89 h SER 108 N 0.50 0.37 0.54 2.19 0.87 -1.86 2.22 113.55 118.38 1c89 h SER 108 Ca 0.57 0.16 -0.26 0.00 -1.23 0.00 0.00 61.79 61.03 1c89 h SER 108 Cb 1.27 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.31 1c89 h SER 108 CO -0.30 -0.16 -1.64 0.29 -0.53 0.00 0.00 176.83 174.49 1c89 n LYS 109 N -4.87 0.63 -0.08 2.24 5.02 0.24 -3.89 118.16 117.45 1c89 n LYS 109 Ca 0.34 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 57.01 1c89 n LYS 109 Cb 1.19 -1.79 0.35 0.00 -0.02 0.00 0.00 35.03 34.75 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c89 n LEU 110 N -2.99 2.08 -4.72 -0.35 4.77 0.18 -4.91 117.00 111.06 1c89 n LEU 110 Ca -0.15 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 1c89 n LEU 110 Cb 1.00 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1c89 n LEU 110 CO 0.44 0.42 1.39 -0.69 -1.33 0.00 0.00 177.39 177.62 1c89 s VAL 111 N -1.79 2.09 -0.72 4.08 1.01 0.70 -1.41 120.40 124.36 1c89 s VAL 111 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1c89 s VAL 111 Cb 0.19 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1c89 s VAL 111 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1c89 n GLY 112 N 4.02 0.40 3.79 4.51 0.00 0.26 -4.92 105.19 113.24 1c89 n GLY 112 Ca 0.16 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.73 4.30 -0.19 1.61 0.00 -0.50 -4.34 119.30 116.45 1c89 s MET 113 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 55.69 56.85 1c89 s MET 113 Cb 0.00 -2.58 -0.01 0.00 0.00 0.00 0.00 34.83 32.24 1c89 s MET 113 CO 0.00 0.00 0.86 -0.65 0.00 0.00 0.00 175.02 175.23 1c89 s GLN 114 N -2.43 4.28 0.35 3.16 -0.21 -1.26 -2.39 119.66 121.15 1c89 s GLN 114 Ca 0.56 1.05 -0.12 0.00 0.02 0.00 0.00 55.36 56.86 1c89 s GLN 114 Cb -0.20 -3.59 -0.08 0.00 1.00 0.00 0.00 33.01 30.15 1c89 s GLN 114 CO 0.25 -0.39 0.74 0.54 -2.12 0.00 0.00 175.29 174.31 1c89 s VAL 115 N 2.37 4.75 -2.67 1.09 0.11 -1.26 -4.73 120.40 120.06 1c89 s VAL 115 Ca 0.39 0.76 0.23 0.00 -2.93 0.00 0.00 61.98 60.42 1c89 s VAL 115 Cb -0.16 -3.67 0.28 0.00 -1.53 0.00 0.00 36.38 31.30 1c89 s VAL 115 CO 0.11 -0.33 1.29 0.59 -3.33 0.00 0.00 175.10 173.43 1c89 n ASN 116 N -0.77 3.12 -4.50 3.54 4.13 -1.26 -0.77 115.26 118.74 1c89 n ASN 116 Ca 0.03 -1.96 -0.25 0.00 1.68 0.00 0.00 54.58 54.07 1c89 n ASN 116 Cb 0.53 -0.10 -0.10 0.00 -1.54 0.00 0.00 39.78 38.57 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 -1.72 1.85 0.11 3.52 1.81 -1.26 -4.72 118.95 118.54 1c89 s ARG 117 Ca 0.31 -2.06 -0.14 0.00 -1.72 0.00 0.00 55.73 52.11 1c89 s ARG 117 Cb 0.20 -1.16 -0.07 0.00 -0.45 0.00 0.00 34.95 33.48 1c89 s ARG 117 CO 0.29 -0.20 0.52 0.00 -0.68 0.00 0.00 175.30 175.23 1c89 s ALA 118 N -3.05 3.61 -0.06 2.13 0.00 -1.26 -3.92 121.76 119.22 1c89 s ALA 118 Ca 0.31 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1c89 s ALA 118 Cb 0.08 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 1c89 s ALA 118 CO 0.15 0.47 -0.22 0.08 0.00 0.00 0.00 175.76 176.24 1c89 s VAL 119 N -1.37 2.37 0.00 0.00 1.01 -0.13 -4.90 120.40 117.37 1c89 s VAL 119 Ca 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1c89 s VAL 119 Cb -0.16 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1c89 s VAL 119 CO 0.18 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.86 1c89 n TYR 120 N 2.77 -1.14 0.00 5.22 9.36 -1.26 -1.76 117.16 130.34 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1c89 n LEU 121 N 0.00 0.00 -4.30 2.98 7.99 -1.24 -4.00 117.00 118.43 1c89 n LEU 121 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1c89 n LEU 121 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1c89 n LEU 121 CO 0.00 -0.01 1.40 0.47 -1.51 0.00 0.00 177.39 177.74 1c89 n ASP 122 N 0.00 -1.00 -4.42 -1.43 9.92 -0.01 -4.49 116.55 115.12 1c89 n ASP 122 Ca 0.00 -1.26 -0.29 0.00 -0.53 0.00 0.00 54.79 52.70 1c89 n ASP 122 Cb 0.00 -0.83 -0.13 0.00 -0.64 0.00 0.00 41.12 39.52 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 6.55 1.59 0.16 -1.24 0.74 -0.85 -4.49 119.66 122.12 1c89 s GLN 123 Ca 0.65 -1.25 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 1c89 s GLN 123 Cb -0.31 -1.99 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 1c89 s GLN 123 CO 0.23 0.47 0.99 0.95 -0.55 0.00 0.00 175.29 177.38 1c89 s THR 124 N -1.04 4.22 0.06 -0.34 -4.23 -1.26 -0.11 115.64 112.94 1c89 s THR 124 Ca 0.15 1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 62.31 1c89 s THR 124 Cb -0.10 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.44 1c89 s THR 124 CO 0.07 0.35 1.13 -0.22 -0.54 0.00 0.00 174.62 175.41 1c89 s LEU 125 N -0.41 4.38 0.16 4.79 2.96 -0.79 -4.90 118.68 124.87 1c89 s LEU 125 Ca 0.46 1.93 0.09 0.00 -0.22 0.00 0.00 54.13 56.40 1c89 s LEU 125 Cb -0.26 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 1c89 s LEU 125 CO 0.32 -0.39 -0.21 -0.04 -1.32 0.00 0.00 176.35 174.72 1c89 s MET 126 N 0.88 1.31 0.26 1.98 -1.94 -1.26 -1.47 119.30 119.07 1c89 s MET 126 Ca 0.56 -1.39 0.10 0.00 -1.71 0.00 0.00 55.69 53.25 1c89 s MET 126 Cb -0.27 -1.50 0.32 0.00 2.01 0.00 0.00 34.83 35.39 1c89 s MET 126 CO 0.30 0.32 1.59 -1.00 -0.01 0.00 0.00 175.02 176.22 1c89 h PRO 127 N 3.42 0.02 0.00 2.03 0.13 -1.90 -2.76 132.00 132.94 1c89 h PRO 127 Ca -0.44 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1c89 h PRO 127 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 127 CO 0.48 0.65 -0.38 0.38 -0.23 0.00 0.00 178.00 178.89 1c89 h ASP 128 N 0.01 0.00 0.00 1.44 2.03 -2.02 -3.29 116.42 114.59 1c89 h ASP 128 Ca -0.01 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1c89 h ASP 128 Cb 1.12 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1c89 h ASP 128 CO 0.08 0.38 -0.03 0.24 -1.03 0.00 0.00 179.24 178.89 1c89 h MET 129 N 0.00 0.00 -5.63 4.15 2.86 -1.95 -3.41 114.93 110.96 1c89 h MET 129 Ca -0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 1c89 h MET 129 Cb 0.89 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.42 1c89 h MET 129 CO 0.05 0.53 0.75 0.08 1.06 0.00 0.00 176.91 179.38 1c89 s VAL 130 N -1.92 4.22 -0.80 -2.22 1.01 -1.05 -4.37 120.40 115.27 1c89 s VAL 130 Ca -0.11 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1c89 s VAL 130 Cb -0.01 -4.77 0.41 0.00 0.00 0.00 0.00 36.38 32.01 1c89 s VAL 130 CO 0.37 -1.58 1.16 2.29 0.00 0.00 0.00 175.10 177.34 1c89 n LYS 131 N 7.99 2.87 -0.00 2.72 2.85 -1.26 -3.76 118.16 129.56 1c89 n LYS 131 Ca 0.03 -1.59 0.05 0.00 -1.05 0.00 0.00 58.31 55.75 1c89 n LYS 131 Cb 0.47 -1.82 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1c89 n ASN 132 N 0.36 2.53 -4.68 -5.58 5.15 -1.26 -5.02 115.26 106.76 1c89 n ASN 132 Ca 0.14 -0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.72 1c89 n ASN 132 Cb 0.68 1.36 0.16 0.00 -0.53 0.00 0.00 39.78 41.45 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1c89 s TYR 133 N -2.53 1.99 -1.97 1.20 1.13 -1.25 -5.02 117.35 110.91 1c89 s TYR 133 Ca -0.02 1.48 0.16 0.00 -1.41 0.00 0.00 57.07 57.28 1c89 s TYR 133 Cb 0.06 -3.18 0.13 0.00 -1.10 0.00 0.00 41.96 37.86 1c89 s TYR 133 CO 0.38 -2.64 1.00 0.39 -2.51 0.00 0.00 175.55 172.17