#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 h HIS 11 N 0.00 -1.05 -0.69 2.97 2.07 -2.04 -3.21 115.15 113.20 1s72 h HIS 11 Ca 0.00 -0.01 0.20 0.00 -2.85 0.00 0.00 60.37 57.70 1s72 h HIS 11 Cb 0.00 0.37 -0.03 0.00 2.57 0.00 0.00 27.41 30.32 1s72 h HIS 11 CO 0.00 -0.61 0.95 1.49 -3.07 0.00 0.00 177.93 176.69 1s72 h GLU 12 N -1.02 0.00 -0.51 5.12 4.81 -2.05 1.77 114.58 122.71 1s72 h GLU 12 Ca -0.09 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1s72 h GLU 12 Cb 0.81 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.09 1s72 h GLU 12 CO 0.11 0.00 0.13 -1.33 -0.73 0.00 0.00 179.01 177.19 1s72 n MET 13 N -3.23 2.72 0.00 1.92 2.81 -1.21 -4.19 117.12 115.94 1s72 n MET 13 Ca 0.15 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 52.99 1s72 n MET 13 Cb 1.18 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1s72 n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s72 n ARG 14 N -0.69 3.85 -2.50 0.03 5.12 0.59 -4.53 116.66 118.54 1s72 n ARG 14 Ca 0.35 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.85 1s72 n ARG 14 Cb 1.17 -0.43 -0.03 0.00 -1.16 0.00 0.00 32.46 32.01 1s72 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1s72 s GLU 15 N -0.28 4.35 1.04 5.56 -1.05 -0.41 -4.87 118.70 123.03 1s72 s GLU 15 Ca 0.00 1.61 -0.20 0.00 -0.15 0.00 0.00 54.97 56.23 1s72 s GLU 15 Cb 0.00 -3.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.07 1s72 s GLU 15 CO 0.00 -0.46 -0.56 -2.30 0.95 0.00 0.00 175.26 172.89 1s72 n PRO 16 N 5.36 -0.63 -3.50 -4.83 -0.02 -1.26 -4.52 135.00 125.59 1s72 n PRO 16 Ca 0.11 -0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.31 1s72 n PRO 16 Cb 0.46 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1s72 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1s72 s ARG 17 N -2.79 0.91 -0.19 -0.52 1.70 -0.76 -4.97 118.95 112.34 1s72 s ARG 17 Ca 0.47 -0.17 -0.22 0.00 -0.47 0.00 0.00 55.73 55.35 1s72 s ARG 17 Cb -0.07 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1s72 s ARG 17 CO 0.69 -0.36 0.67 0.42 -1.08 0.00 0.00 175.30 175.64 1s72 s ILE 18 N -2.58 4.99 -0.15 4.99 1.01 -1.26 -2.67 121.20 125.53 1s72 s ILE 18 Ca 0.00 1.28 -0.10 0.00 0.00 0.00 0.00 60.65 61.83 1s72 s ILE 18 Cb -0.01 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1s72 s ILE 18 CO -0.05 0.09 -0.08 -0.08 0.00 0.00 0.00 174.94 174.82 1s72 h GLU 19 N 7.45 0.00 -2.96 2.79 4.81 -1.60 -3.42 114.58 121.64 1s72 h GLU 19 Ca -0.31 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 1s72 h GLU 19 Cb 1.14 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 1s72 h GLU 19 CO 0.79 0.17 -0.25 -1.59 -0.73 0.00 0.00 179.01 177.39 1s72 s LYS 20 N -2.17 0.66 -0.18 1.92 -2.85 -1.24 -4.25 119.74 111.63 1s72 s LYS 20 Ca -0.15 -0.09 0.01 0.00 -1.00 0.00 0.00 55.97 54.74 1s72 s LYS 20 Cb 0.02 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1s72 s LYS 20 CO 0.26 -0.17 -0.18 0.08 0.10 0.00 0.00 175.35 175.43 1s72 s VAL 21 N -1.14 2.23 -0.36 1.79 1.01 -0.49 -1.62 120.40 121.82 1s72 s VAL 21 Ca -0.12 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1s72 s VAL 21 Cb -0.05 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1s72 s VAL 21 CO 0.04 0.53 0.23 -0.69 0.00 0.00 0.00 175.10 175.21 1s72 s VAL 22 N 1.26 4.97 -0.35 2.92 1.01 -0.13 -1.58 120.40 128.49 1s72 s VAL 22 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1s72 s VAL 22 Cb -0.13 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1s72 s VAL 22 CO -0.11 -0.13 0.19 0.68 0.00 0.00 0.00 175.10 175.74 1s72 s VAL 23 N 1.65 4.61 0.01 2.92 -7.23 -0.40 -1.23 120.40 120.73 1s72 s VAL 23 Ca 0.05 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1s72 s VAL 23 Cb -0.18 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 1s72 s VAL 23 CO 0.09 -0.13 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.38 1s72 s HIS 24 N 1.58 0.70 -0.52 2.82 5.04 -0.85 -0.75 115.29 123.32 1s72 s HIS 24 Ca 0.03 -0.24 -0.01 0.00 -1.54 0.00 0.00 55.06 53.30 1s72 s HIS 24 Cb -0.18 -0.43 0.14 0.00 0.04 0.00 0.00 32.58 32.14 1s72 s HIS 24 CO 0.07 -0.02 0.30 -1.64 -2.34 0.00 0.00 174.74 171.11 1s72 s MET 25 N -0.65 2.20 -1.15 2.88 -1.94 -0.42 -1.83 119.30 118.38 1s72 s MET 25 Ca -0.01 -2.28 -0.22 0.00 -1.71 0.00 0.00 55.69 51.47 1s72 s MET 25 Cb -0.05 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 1s72 s MET 25 CO 0.00 -1.11 1.89 0.20 -0.01 0.00 0.00 175.02 175.99 1s72 s GLY 26 N 0.88 0.42 0.00 -0.03 0.00 -1.26 -3.47 107.32 103.85 1s72 s GLY 26 Ca 0.14 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.70 1s72 s GLY 26 CO -0.04 3.39 0.00 1.39 0.00 0.00 0.00 173.10 177.85 1s72 n ILE 27 N 7.58 0.00 -2.03 0.90 5.41 -0.80 -4.99 119.36 125.44 1s72 n ILE 27 Ca 0.44 0.00 0.03 0.00 1.00 0.00 0.00 62.75 64.22 1s72 n ILE 27 Cb 0.47 -1.40 0.03 0.00 -0.71 0.00 0.00 39.64 38.03 1s72 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s72 n GLY 28 N 4.50 1.42 0.00 7.39 0.00 -1.24 -4.67 105.19 112.58 1s72 n GLY 28 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1s72 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s72 n HIS 29 N -0.07 0.00 -0.60 1.61 -0.00 -1.26 -4.95 115.22 109.95 1s72 n HIS 29 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1s72 n HIS 29 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 1s72 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1s72 n ALA 35 N 0.00 0.00 0.22 1.59 0.00 -1.26 -4.71 120.51 116.34 1s72 n ALA 35 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1s72 n ALA 35 Cb 0.01 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.90 1s72 n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1s72 h ASN 36 N 0.00 0.00 0.35 0.00 -1.07 -2.04 -0.41 115.58 112.41 1s72 h ASN 36 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 1s72 h ASN 36 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1s72 h ASN 36 CO 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 177.43 177.20 1s72 h ALA 37 N 1.12 1.43 -0.56 4.14 0.00 -2.02 -3.25 119.26 120.11 1s72 h ALA 37 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1s72 h ALA 37 Cb 0.73 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 1s72 h ALA 37 CO 0.00 0.37 -0.29 0.93 0.00 0.00 0.00 179.25 180.26 1s72 h GLU 38 N 0.00 -0.14 -0.91 0.00 5.08 -1.50 -2.52 114.58 114.59 1s72 h GLU 38 Ca -0.00 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1s72 h GLU 38 Cb 0.55 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.69 1s72 h GLU 38 CO 0.04 -0.09 -0.37 -0.25 -1.00 0.00 0.00 179.01 177.34 1s72 n ASP 39 N -5.43 -0.62 -0.02 1.42 8.00 -1.23 0.24 116.55 118.92 1s72 n ASP 39 Ca 0.04 1.59 -0.01 0.00 0.71 0.00 0.00 54.79 57.12 1s72 n ASP 39 Cb 0.35 -0.35 0.27 0.00 -0.02 0.00 0.00 41.12 41.36 1s72 n ASP 39 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1s72 h ILE 40 N 0.00 1.21 -0.40 0.53 3.07 -1.68 -2.10 117.51 118.14 1s72 h ILE 40 Ca 0.31 -0.85 -0.08 0.00 1.55 0.00 0.00 64.86 65.79 1s72 h ILE 40 Cb 0.53 0.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 1s72 h ILE 40 CO -0.90 0.29 -0.06 -0.07 -1.05 0.00 0.00 178.15 176.36 1s72 h LEU 41 N 0.54 0.66 -0.99 0.16 3.38 -0.09 0.62 115.31 119.59 1s72 h LEU 41 Ca 0.11 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1s72 h LEU 41 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1s72 h LEU 41 CO 0.01 0.77 -0.01 1.23 0.09 0.00 0.00 178.44 180.53 1s72 h GLY 42 N 0.95 0.76 1.38 0.83 0.00 -0.33 -1.67 103.07 104.99 1s72 h GLY 42 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 47.33 46.66 1s72 h GLY 42 CO 0.03 0.46 -1.43 0.83 0.00 0.00 0.00 176.54 176.43 1s72 h GLU 43 N 0.66 0.20 0.00 4.80 5.08 -1.18 0.22 114.58 124.37 1s72 h GLU 43 Ca 0.13 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1s72 h GLU 43 Cb 0.43 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1s72 h GLU 43 CO 0.02 1.06 -0.43 0.97 -1.00 0.00 0.00 179.01 179.64 1s72 h ILE 44 N 0.05 1.16 0.00 3.13 2.10 -0.82 -3.37 117.51 119.78 1s72 h ILE 44 Ca -0.20 -1.53 -0.18 0.00 1.08 0.00 0.00 64.86 64.03 1s72 h ILE 44 Cb 1.98 1.86 -0.03 0.00 -1.09 0.00 0.00 36.82 39.54 1s72 h ILE 44 CO 0.16 0.42 -1.48 0.35 -1.08 0.00 0.00 178.15 176.51 1s72 n THR 45 N -3.83 1.32 0.00 2.19 -2.24 -0.64 -4.94 114.28 106.15 1s72 n THR 45 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1s72 n THR 45 Cb 0.48 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1s72 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s72 n GLY 46 N 1.78 1.07 3.20 3.38 0.00 0.78 -4.94 105.19 110.46 1s72 n GLY 46 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1s72 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s72 s GLN 47 N -0.00 0.68 0.42 1.61 -2.07 -1.22 -5.01 119.66 114.07 1s72 s GLN 47 Ca 0.00 -0.45 -0.21 0.00 -1.82 0.00 0.00 55.36 52.88 1s72 s GLN 47 Cb 0.00 0.29 -0.14 0.00 -1.09 0.00 0.00 33.01 32.07 1s72 s GLN 47 CO 0.00 -0.20 0.24 -1.33 -1.32 0.00 0.00 175.29 172.68 1s72 n MET 48 N 0.93 0.20 -2.75 9.60 2.81 -1.26 -4.53 117.12 122.11 1s72 n MET 48 Ca -0.20 0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.56 1s72 n MET 48 Cb 0.58 -1.19 0.05 0.00 -0.71 0.00 0.00 33.22 31.94 1s72 n MET 48 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1s72 s PRO 49 N -1.24 2.40 -0.03 0.03 0.02 -1.26 -4.86 135.00 130.06 1s72 s PRO 49 Ca 0.61 -1.05 0.03 0.00 0.02 0.00 0.00 61.00 60.62 1s72 s PRO 49 Cb -0.61 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1s72 s PRO 49 CO 0.61 -0.78 -0.13 0.08 -0.33 0.00 0.00 177.00 176.45 1s72 s VAL 50 N -2.74 1.09 0.84 3.83 1.01 -0.49 -4.93 120.40 119.01 1s72 s VAL 50 Ca 0.59 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1s72 s VAL 50 Cb -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 36.38 35.43 1s72 s VAL 50 CO 0.38 0.32 1.09 0.54 0.00 0.00 0.00 175.10 177.43 1s72 n ARG 51 N 3.22 -0.02 -3.70 2.72 5.12 -1.26 -1.88 116.66 120.86 1s72 n ARG 51 Ca -0.18 0.07 -0.30 0.00 -1.93 0.00 0.00 57.85 55.51 1s72 n ARG 51 Cb 0.54 -2.34 -0.14 0.00 -1.16 0.00 0.00 32.46 29.35 1s72 n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1s72 s THR 52 N -2.27 0.95 0.69 0.55 2.01 0.17 -4.78 115.64 112.97 1s72 s THR 52 Ca 0.70 -1.75 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1s72 s THR 52 Cb -0.27 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1s72 s THR 52 CO 0.54 -0.77 1.06 -0.54 -0.69 0.00 0.00 174.62 174.23 1s72 s LYS 53 N 1.21 2.92 0.27 4.92 1.02 -1.25 -1.42 119.74 127.41 1s72 s LYS 53 Ca 0.13 1.02 0.10 0.00 0.02 0.00 0.00 55.97 57.24 1s72 s LYS 53 Cb -0.20 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1s72 s LYS 53 CO -0.16 -1.12 -0.02 0.00 -0.92 0.00 0.00 175.35 173.14 1s72 s ALA 54 N -2.93 3.13 -0.10 5.17 0.00 -1.14 -4.91 121.76 120.99 1s72 s ALA 54 Ca 0.59 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1s72 s ALA 54 Cb -0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1s72 s ALA 54 CO 0.52 0.26 -0.15 0.15 0.00 0.00 0.00 175.76 176.54 1s72 s LYS 55 N -3.66 3.01 0.00 0.00 1.02 -1.26 -4.23 119.74 114.61 1s72 s LYS 55 Ca 0.31 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1s72 s LYS 55 Cb -0.06 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1s72 s LYS 55 CO 0.19 0.36 0.00 0.54 -0.92 0.00 0.00 175.35 175.53 1s72 n ARG 56 N 3.07 0.00 -4.85 1.68 1.74 -1.26 -4.99 116.66 112.05 1s72 n ARG 56 Ca -0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 1s72 n ARG 56 Cb 0.52 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.84 1s72 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1s72 s THR 57 N -1.68 3.15 0.05 0.55 2.01 -1.26 -4.58 115.64 113.87 1s72 s THR 57 Ca 0.00 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1s72 s THR 57 Cb 0.00 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1s72 s THR 57 CO 0.00 0.59 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 1s72 s VAL 58 N -0.68 0.27 0.48 3.82 1.01 0.56 -4.95 120.40 120.91 1s72 s VAL 58 Ca 0.10 -1.49 0.26 0.00 0.00 0.00 0.00 61.98 60.84 1s72 s VAL 58 Cb -0.11 -1.09 0.29 0.00 0.00 0.00 0.00 36.38 35.48 1s72 s VAL 58 CO 0.01 -0.78 2.12 1.23 0.00 0.00 0.00 175.10 177.67 1s72 h GLY 59 N 3.69 0.00 -4.84 4.51 0.00 -2.01 -2.73 103.07 101.70 1s72 h GLY 59 Ca -0.34 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 1s72 h GLY 59 CO 0.56 0.00 0.89 -1.84 0.00 0.00 0.00 176.54 176.15 1s72 n GLU 60 N -3.85 1.32 -2.34 4.80 0.28 -1.26 -4.48 120.64 115.11 1s72 n GLU 60 Ca -0.02 -0.81 -0.01 0.00 -0.16 0.00 0.00 57.16 56.16 1s72 n GLU 60 Cb 0.19 -1.98 -0.00 0.00 1.43 0.00 0.00 31.44 31.07 1s72 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1s72 n PHE 61 N 3.28 -1.76 -3.33 -1.84 -0.00 -1.23 -4.78 117.46 107.79 1s72 n PHE 61 Ca 0.28 0.02 -0.32 0.00 -0.00 0.00 0.00 57.45 57.43 1s72 n PHE 61 Cb 0.35 -0.92 -0.05 0.00 -0.00 0.00 0.00 39.48 38.86 1s72 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1s72 n ASP 62 N -1.36 4.57 -0.01 -2.13 2.03 -1.03 -4.76 116.55 113.85 1s72 n ASP 62 Ca 0.00 -3.41 0.05 0.00 0.52 0.00 0.00 54.79 51.95 1s72 n ASP 62 Cb 0.45 -0.87 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 1s72 n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1s72 n ILE 63 N 1.10 0.50 -2.05 5.18 -5.35 -1.25 -0.32 119.36 117.17 1s72 n ILE 63 Ca 0.28 -0.61 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 1s72 n ILE 63 Cb 0.38 -0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 1s72 n ILE 63 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1s72 s ARG 64 N -3.21 4.20 0.00 6.28 3.52 -1.26 -4.52 118.95 123.96 1s72 s ARG 64 Ca -0.07 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 1s72 s ARG 64 Cb 0.11 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1s72 s ARG 64 CO 0.87 -0.79 0.44 -1.91 -0.81 0.00 0.00 175.30 173.10 1s72 n GLU 65 N 6.70 0.00 -2.47 5.12 2.13 -1.26 -4.51 120.64 126.35 1s72 n GLU 65 Ca 0.16 0.13 -0.43 0.00 0.66 0.00 0.00 57.16 57.68 1s72 n GLU 65 Cb 0.43 -0.98 -0.02 0.00 0.27 0.00 0.00 31.44 31.14 1s72 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1s72 s GLY 66 N -0.55 1.53 -0.30 8.31 0.00 -1.26 -2.87 107.32 112.18 1s72 s GLY 66 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.72 1s72 s GLY 66 CO 0.00 2.48 1.38 0.51 0.00 0.00 0.00 173.10 177.47 1s72 s ASP 67 N 2.21 -0.05 0.14 1.64 -4.77 -1.26 -4.96 116.67 109.62 1s72 s ASP 67 Ca 0.53 0.10 -0.32 0.00 -3.30 0.00 0.00 52.55 49.56 1s72 s ASP 67 Cb -0.18 0.44 -0.11 0.00 -1.09 0.00 0.00 42.92 41.98 1s72 s ASP 67 CO 0.17 -0.02 1.78 -2.65 0.70 0.00 0.00 175.17 175.16 1s72 n PRO 68 N 2.13 2.70 -0.03 2.11 -0.02 -1.26 -3.59 135.00 137.05 1s72 n PRO 68 Ca -0.13 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1s72 n PRO 68 Cb 0.57 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1s72 n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1s72 n ILE 69 N 4.37 0.00 0.00 4.25 5.41 -0.51 -4.13 119.36 128.76 1s72 n ILE 69 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1s72 n ILE 69 Cb 0.35 0.87 0.00 0.00 -0.71 0.00 0.00 39.64 40.16 1s72 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s72 n GLY 70 N 0.00 0.82 3.12 7.39 0.00 -1.24 -1.90 105.19 113.37 1s72 n GLY 70 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1s72 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 71 N -1.97 0.51 0.14 4.61 0.00 -1.23 0.46 121.76 124.29 1s72 s ALA 71 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 1s72 s ALA 71 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1s72 s ALA 71 CO 0.00 -0.41 0.11 -1.59 0.00 0.00 0.00 175.76 173.87 1s72 s LYS 72 N -3.94 1.00 -0.12 0.00 -2.85 -0.79 -1.30 119.74 111.73 1s72 s LYS 72 Ca 0.11 -1.39 -0.05 0.00 -1.00 0.00 0.00 55.97 53.64 1s72 s LYS 72 Cb 0.08 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 36.18 1s72 s LYS 72 CO -0.07 -0.31 0.24 0.08 0.10 0.00 0.00 175.35 175.39 1s72 s VAL 73 N -4.04 -0.36 -0.31 1.79 1.01 0.07 -1.40 120.40 117.17 1s72 s VAL 73 Ca 0.23 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1s72 s VAL 73 Cb 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1s72 s VAL 73 CO 0.02 0.12 0.24 0.42 0.00 0.00 0.00 175.10 175.90 1s72 s THR 74 N 2.30 5.28 -0.05 3.92 -4.23 -1.26 -1.28 115.64 120.31 1s72 s THR 74 Ca 0.01 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1s72 s THR 74 Cb -0.12 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1s72 s THR 74 CO -0.08 0.11 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.33 1s72 s LEU 75 N 1.79 3.47 0.04 4.79 1.43 -0.61 -4.93 118.68 124.66 1s72 s LEU 75 Ca 0.08 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1s72 s LEU 75 Cb -0.17 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1s72 s LEU 75 CO 0.11 0.34 -0.09 -0.13 0.23 0.00 0.00 176.35 176.81 1s72 s ARG 76 N -1.10 0.59 6.23 1.70 0.52 -1.26 -1.40 118.95 124.22 1s72 s ARG 76 Ca 0.15 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1s72 s ARG 76 Cb -0.11 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 34.91 1s72 s ARG 76 CO 0.05 0.10 0.00 -0.25 0.02 0.00 0.00 175.30 175.21 1s72 n ASP 77 N 1.76 0.00 -0.18 0.23 8.00 -1.26 -3.20 116.55 121.90 1s72 n ASP 77 Ca -0.20 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.26 1s72 n ASP 77 Cb 0.55 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.72 1s72 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s72 h GLU 78 N 0.00 0.54 -0.51 -1.24 5.08 -1.98 -1.09 114.58 115.38 1s72 h GLU 78 Ca 0.00 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1s72 h GLU 78 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1s72 h GLU 78 CO 0.00 0.36 0.50 0.52 -1.00 0.00 0.00 179.01 179.39 1s72 h MET 79 N 0.56 0.00 0.14 2.33 2.86 -1.94 0.21 114.93 119.08 1s72 h MET 79 Ca 0.24 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.55 1s72 h MET 79 Cb 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1s72 h MET 79 CO -0.16 0.00 -1.71 0.00 1.06 0.00 0.00 176.91 176.10 1s72 h ALA 80 N 1.47 0.28 0.45 6.32 0.00 -1.32 -3.29 119.26 123.16 1s72 h ALA 80 Ca 0.24 -1.19 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1s72 h ALA 80 Cb 1.25 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1s72 h ALA 80 CO -0.00 1.15 -0.21 0.93 0.00 0.00 0.00 179.25 181.11 1s72 h GLU 81 N 0.08 -0.58 0.00 0.00 5.08 -0.51 -1.22 114.58 117.43 1s72 h GLU 81 Ca -0.32 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1s72 h GLU 81 Cb 2.06 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.44 1s72 h GLU 81 CO 0.15 -0.33 0.33 0.39 -1.00 0.00 0.00 179.01 178.54 1s72 n GLU 82 N -5.18 0.06 -0.11 2.33 1.02 0.53 0.10 120.64 119.39 1s72 n GLU 82 Ca -0.08 0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 57.29 1s72 n GLU 82 Cb 0.26 -2.02 -0.11 0.00 -0.02 0.00 0.00 31.44 29.55 1s72 n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s72 n PHE 83 N -1.82 0.63 0.31 -0.32 7.35 -1.13 -4.22 117.46 118.26 1s72 n PHE 83 Ca -0.01 0.25 0.20 0.00 -0.76 0.00 0.00 57.45 57.14 1s72 n PHE 83 Cb 0.34 -1.06 0.95 0.00 0.35 0.00 0.00 39.48 40.06 1s72 n PHE 83 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1s72 h LEU 84 N -0.91 0.00 -0.47 -2.13 3.38 0.92 -0.92 115.31 115.18 1s72 h LEU 84 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1s72 h LEU 84 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1s72 h LEU 84 CO -0.27 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.26 1s72 n GLN 85 N -3.06 0.64 0.00 1.13 6.02 0.10 -2.01 117.38 120.21 1s72 n GLN 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1s72 n GLN 85 Cb 0.18 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1s72 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1s72 n THR 86 N -0.18 0.00 0.09 5.09 -2.24 -0.88 -4.88 114.28 111.28 1s72 n THR 86 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1s72 n THR 86 Cb 0.08 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 1s72 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s72 h ALA 87 N 0.00 -0.33 -0.49 6.98 0.00 -0.92 -3.20 119.26 121.30 1s72 h ALA 87 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1s72 h ALA 87 Cb 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1s72 h ALA 87 CO 0.00 -0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 178.65 1s72 h LEU 88 N -1.01 -0.66 -2.00 0.00 3.38 -1.67 0.01 115.31 113.36 1s72 h LEU 88 Ca -0.03 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.34 1s72 h LEU 88 Cb 0.42 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1s72 h LEU 88 CO 0.05 -0.22 0.59 -0.65 0.09 0.00 0.00 178.44 178.30 1s72 h PRO 89 N -0.08 0.00 -0.23 1.13 0.11 -1.77 0.51 132.00 131.67 1s72 h PRO 89 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1s72 h PRO 89 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1s72 h PRO 89 CO -0.54 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.53 1s72 n LEU 90 N -4.29 1.39 -4.31 2.35 4.77 -0.02 -4.87 117.00 112.03 1s72 n LEU 90 Ca 0.17 -0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 55.30 1s72 n LEU 90 Cb 0.89 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 1s72 n LEU 90 CO 0.38 0.33 -0.45 0.00 -1.33 0.00 0.00 177.39 176.33 1s72 s ALA 91 N -1.70 1.84 -0.45 -1.18 0.00 0.18 -5.01 121.76 115.44 1s72 s ALA 91 Ca 0.22 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1s72 s ALA 91 Cb 0.11 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.26 1s72 s ALA 91 CO 0.16 0.10 0.19 -1.21 0.00 0.00 0.00 175.76 175.00 1s72 s GLU 92 N -3.23 1.84 0.36 0.00 2.02 -1.26 -4.96 118.70 113.46 1s72 s GLU 92 Ca 0.17 -2.30 -0.28 0.00 0.02 0.00 0.00 54.97 52.59 1s72 s GLU 92 Cb -0.03 -3.33 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1s72 s GLU 92 CO 0.05 -1.05 1.35 -0.51 0.02 0.00 0.00 175.26 175.12 1s72 s LEU 93 N 0.25 4.36 0.16 1.80 1.43 -1.26 -5.04 118.68 120.38 1s72 s LEU 93 Ca 0.14 2.78 0.10 0.00 -1.03 0.00 0.00 54.13 56.12 1s72 s LEU 93 Cb -0.23 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1s72 s LEU 93 CO -0.03 -0.68 -0.22 0.00 0.23 0.00 0.00 176.35 175.65 1s72 s ALA 94 N -1.16 2.21 0.06 4.21 0.00 -1.26 -4.07 121.76 121.76 1s72 s ALA 94 Ca 0.51 -1.50 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1s72 s ALA 94 Cb -0.41 -0.27 -0.16 0.00 0.00 0.00 0.00 23.12 22.27 1s72 s ALA 94 CO 0.55 0.36 1.61 1.15 0.00 0.00 0.00 175.76 179.43 1s72 h THR 95 N 3.45 0.96 -0.01 0.00 2.02 -1.88 -2.97 112.91 114.48 1s72 h THR 95 Ca -0.45 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1s72 h THR 95 Cb 1.20 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1s72 h THR 95 CO 0.46 0.06 0.01 0.77 0.37 0.00 0.00 175.52 177.20 1s72 h SER 96 N -0.25 0.00 0.23 4.18 4.64 -2.00 -2.25 113.55 118.10 1s72 h SER 96 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1s72 h SER 96 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1s72 h SER 96 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1s72 n GLN 97 N -3.59 0.28 -2.99 4.77 6.02 -1.12 -4.84 117.38 115.92 1s72 n GLN 97 Ca -0.03 0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 1s72 n GLN 97 Cb 0.09 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 1s72 n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1s72 s PHE 98 N -2.45 3.47 0.86 1.08 0.40 -0.85 -4.14 117.98 116.35 1s72 s PHE 98 Ca 0.17 0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 57.33 1s72 s PHE 98 Cb 0.11 -2.36 0.11 0.00 0.51 0.00 0.00 43.02 41.38 1s72 s PHE 98 CO 0.23 -0.03 1.12 0.34 0.70 0.00 0.00 175.22 177.58 1s72 s ASP 99 N -3.11 3.97 0.02 1.36 2.15 0.69 -4.91 116.67 116.84 1s72 s ASP 99 Ca 0.50 1.11 0.26 0.00 0.43 0.00 0.00 52.55 54.85 1s72 s ASP 99 Cb -0.10 -1.75 0.74 0.00 -0.30 0.00 0.00 42.92 41.50 1s72 s ASP 99 CO 0.30 -2.28 1.58 0.47 -0.17 0.00 0.00 175.17 175.08 1s72 n ASP 100 N -3.61 0.37 -0.80 -0.34 9.92 -1.26 -3.12 116.55 117.71 1s72 n ASP 100 Ca 0.07 0.06 0.07 0.00 -0.53 0.00 0.00 54.79 54.46 1s72 n ASP 100 Cb 0.58 -0.04 0.19 0.00 -0.64 0.00 0.00 41.12 41.21 1s72 n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1s72 n THR 101 N -1.60 1.00 -1.84 -3.53 -1.04 -1.26 -4.32 114.28 101.70 1s72 n THR 101 Ca 0.06 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.07 1s72 n THR 101 Cb 0.35 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1s72 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s72 n GLY 102 N 0.77 0.77 3.75 3.41 0.00 -1.09 -4.19 105.19 108.61 1s72 n GLY 102 Ca 0.14 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1s72 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s72 s ASN 103 N -2.83 4.33 -0.23 1.61 0.02 -1.26 -4.13 114.94 112.43 1s72 s ASN 103 Ca 0.00 -1.26 -0.27 0.00 -1.02 0.00 0.00 52.86 50.31 1s72 s ASN 103 Cb 0.00 -0.13 0.12 0.00 0.02 0.00 0.00 41.25 41.26 1s72 s ASN 103 CO 0.00 -0.68 0.99 0.72 0.02 0.00 0.00 177.10 178.15 1s72 s PHE 104 N -2.70 -0.46 -0.05 2.20 -0.12 -1.19 0.25 117.98 115.91 1s72 s PHE 104 Ca 0.32 1.03 0.04 0.00 -0.05 0.00 0.00 56.93 58.28 1s72 s PHE 104 Cb 0.03 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1s72 s PHE 104 CO 0.18 -0.29 -0.18 0.45 -0.05 0.00 0.00 175.22 175.33 1s72 s SER 105 N -0.22 2.29 0.14 1.98 0.15 -1.26 -1.52 113.70 115.26 1s72 s SER 105 Ca 0.01 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 1s72 s SER 105 Cb -0.03 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1s72 s SER 105 CO -0.03 0.16 0.04 0.72 1.20 0.00 0.00 173.24 175.33 1s72 s PHE 106 N 0.08 0.96 0.00 3.44 -0.71 -0.88 -4.99 117.98 115.88 1s72 s PHE 106 Ca -0.05 -1.18 0.00 0.00 -1.04 0.00 0.00 56.93 54.66 1s72 s PHE 106 Cb -0.12 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1s72 s PHE 106 CO 0.03 -0.43 0.00 0.41 -1.34 0.00 0.00 175.22 173.88 1s72 n GLY 107 N -0.14 0.30 0.04 1.99 0.00 -1.26 -1.46 105.19 104.65 1s72 n GLY 107 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1s72 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s72 n LEU 128 N 0.00 0.00 -4.81 0.99 0.00 -1.26 -4.92 117.00 107.00 1s72 n LEU 128 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 56.01 55.72 1s72 n LEU 128 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 43.42 43.32 1s72 n LEU 128 CO 0.00 -0.01 -0.24 -1.81 0.00 0.00 0.00 177.39 175.34 1s72 s ASP 129 N -0.01 5.75 -0.22 1.96 1.01 -0.76 -5.01 116.67 119.38 1s72 s ASP 129 Ca 0.00 0.10 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 1s72 s ASP 129 Cb 0.00 -1.63 0.08 0.00 1.01 0.00 0.00 42.92 42.38 1s72 s ASP 129 CO 0.00 0.20 0.10 -0.69 0.21 0.00 0.00 175.17 175.00 1s72 s VAL 130 N -1.35 -0.05 -0.01 -1.27 1.01 -0.54 -2.00 120.40 116.20 1s72 s VAL 130 Ca 0.28 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1s72 s VAL 130 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1s72 s VAL 130 CO 0.21 -0.46 0.11 -0.89 0.00 0.00 0.00 175.10 174.06 1s72 s THR 131 N 2.11 4.96 -0.21 3.92 2.01 -0.36 -2.06 115.64 126.00 1s72 s THR 131 Ca 0.05 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1s72 s THR 131 Cb -0.16 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.11 1s72 s THR 131 CO -0.20 0.35 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.27 1s72 s VAL 132 N -1.22 1.78 -0.28 3.82 1.01 -0.57 -0.96 120.40 123.97 1s72 s VAL 132 Ca 0.24 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 1s72 s VAL 132 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1s72 s VAL 132 CO 0.15 0.19 0.45 0.21 0.00 0.00 0.00 175.10 176.09 1s72 s ASN 133 N 1.34 6.33 0.01 3.32 3.04 -0.64 -3.14 114.94 125.20 1s72 s ASN 133 Ca -0.02 0.33 0.05 0.00 0.04 0.00 0.00 52.86 53.27 1s72 s ASN 133 Cb -0.16 -2.24 -0.03 0.00 -1.54 0.00 0.00 41.25 37.27 1s72 s ASN 133 CO -0.08 -0.26 -0.14 -0.76 -3.04 0.00 0.00 177.10 172.82 1s72 s LEU 134 N 2.20 2.82 0.27 3.21 1.43 -1.26 -1.46 118.68 125.89 1s72 s LEU 134 Ca 0.18 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 1s72 s LEU 134 Cb -0.16 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.50 1s72 s LEU 134 CO 0.10 0.28 0.91 0.54 0.23 0.00 0.00 176.35 178.41 1s72 s VAL 135 N -0.91 0.00 0.14 -1.59 0.11 -1.09 -4.80 120.40 112.26 1s72 s VAL 135 Ca 0.15 -0.79 0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1s72 s VAL 135 Cb -0.11 -2.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1s72 s VAL 135 CO 0.05 0.00 0.07 0.00 -3.33 0.00 0.00 175.10 171.89 1s72 s ARG 136 N -2.51 2.70 0.00 1.54 1.70 -1.26 -1.82 118.95 119.30 1s72 s ARG 136 Ca 0.17 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1s72 s ARG 136 Cb -0.04 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 31.78 1s72 s ARG 136 CO 0.07 0.50 0.00 -2.30 -1.08 0.00 0.00 175.30 172.49 1s72 n PRO 137 N -0.01 0.00 -1.21 3.89 -0.02 -1.26 -2.43 135.00 133.97 1s72 n PRO 137 Ca -0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1s72 n PRO 137 Cb 0.54 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.11 1s72 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s72 n GLY 138 N -0.93 5.21 0.17 -1.23 0.00 -1.26 -4.58 105.19 102.57 1s72 n GLY 138 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 1s72 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1s72 h TYR 139 N 1.65 0.46 -1.21 1.61 3.20 -1.89 -3.19 116.97 117.59 1s72 h TYR 139 Ca 0.55 -0.20 0.35 0.00 3.14 0.00 0.00 58.73 62.57 1s72 h TYR 139 Cb 1.28 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 1s72 h TYR 139 CO 1.34 0.93 0.86 -0.09 -1.64 0.00 0.00 178.16 179.55 1s72 h ARG 140 N 0.24 0.06 -0.52 1.82 2.43 -1.90 0.15 114.38 116.67 1s72 h ARG 140 Ca -0.02 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1s72 h ARG 140 Cb 1.25 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1s72 h ARG 140 CO 0.11 0.04 0.49 0.28 -1.51 0.00 0.00 179.97 179.38 1s72 h VAL 141 N 0.07 0.44 -0.02 0.20 2.07 -1.88 0.85 116.25 117.97 1s72 h VAL 141 Ca 0.60 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.12 1s72 h VAL 141 Cb 2.24 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1s72 h VAL 141 CO -0.07 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.49 1s72 n ALA 142 N -2.44 2.53 0.18 1.67 0.00 0.53 0.08 120.51 123.07 1s72 n ALA 142 Ca 0.10 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.94 1s72 n ALA 142 Cb 0.69 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 1s72 n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s72 n LYS 143 N 0.83 2.81 -2.34 0.00 4.76 0.16 -4.76 118.16 119.63 1s72 n LYS 143 Ca 0.09 -0.36 -0.24 0.00 -2.87 0.00 0.00 58.31 54.93 1s72 n LYS 143 Cb 0.40 -0.87 0.07 0.00 -1.84 0.00 0.00 35.03 32.78 1s72 n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1s72 s ARG 144 N -0.89 2.19 -0.12 1.97 1.70 -0.43 -5.05 118.95 118.32 1s72 s ARG 144 Ca 0.03 -0.47 -0.13 0.00 -0.47 0.00 0.00 55.73 54.70 1s72 s ARG 144 Cb 0.03 -2.25 -0.11 0.00 -0.57 0.00 0.00 34.95 32.05 1s72 s ARG 144 CO 0.11 -1.16 0.30 -0.44 -1.08 0.00 0.00 175.30 173.03 1s72 h ASP 145 N -0.45 0.00 -3.75 -2.89 3.45 -1.95 -3.40 116.42 107.42 1s72 h ASP 145 Ca -0.43 -0.41 -0.50 0.00 0.43 0.00 0.00 57.03 56.12 1s72 h ASP 145 Cb 1.30 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.07 1s72 h ASP 145 CO 0.56 0.74 0.40 -0.54 -1.57 0.00 0.00 179.24 178.83 1s72 s LYS 146 N -1.87 4.77 -0.74 3.56 1.02 -1.26 -3.91 119.74 121.31 1s72 s LYS 146 Ca -0.09 1.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 1s72 s LYS 146 Cb -0.01 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1s72 s LYS 146 CO 0.30 0.39 0.23 0.00 -0.92 0.00 0.00 175.35 175.34 1s72 n ALA 147 N 1.49 -1.06 -0.64 5.17 0.00 -1.26 -4.87 120.51 119.34 1s72 n ALA 147 Ca -0.01 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1s72 n ALA 147 Cb 0.46 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 18.73 1s72 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s72 n SER 148 N -1.88 -1.42 -3.50 0.00 3.41 -1.25 -5.00 113.62 103.98 1s72 n SER 148 Ca 0.03 0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.58 1s72 n SER 148 Cb 0.49 -1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 1s72 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1s72 s ARG 149 N -4.09 1.07 -0.00 4.33 6.06 0.11 -4.98 118.95 121.46 1s72 s ARG 149 Ca 0.63 0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 53.63 1s72 s ARG 149 Cb -0.21 0.50 -0.04 0.00 0.06 0.00 0.00 34.95 35.27 1s72 s ARG 149 CO 0.64 -0.38 0.88 0.45 -2.50 0.00 0.00 175.30 174.39 1s72 s SER 150 N -1.63 7.26 0.08 -2.12 0.15 -1.26 -3.13 113.70 113.05 1s72 s SER 150 Ca -0.07 1.52 -0.31 0.00 0.70 0.00 0.00 55.95 57.80 1s72 s SER 150 Cb -0.00 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1s72 s SER 150 CO 0.03 -0.17 1.89 -0.63 1.20 0.00 0.00 173.24 175.56 1s72 s ILE 151 N 0.72 2.76 0.49 6.45 -1.09 -1.26 -4.94 121.20 124.33 1s72 s ILE 151 Ca 0.46 0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.70 1s72 s ILE 151 Cb -0.20 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.56 1s72 s ILE 151 CO 0.25 -0.00 0.95 -2.65 -1.23 0.00 0.00 174.94 172.26 1s72 n PRO 152 N 6.52 1.14 -0.33 2.79 -0.02 -1.26 -4.80 135.00 139.05 1s72 n PRO 152 Ca 0.19 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 1s72 n PRO 152 Cb 0.39 -2.05 0.23 0.00 -0.02 0.00 0.00 33.50 32.05 1s72 n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1s72 h THR 153 N 1.11 0.86 -0.64 3.45 1.35 -1.97 -1.84 112.91 115.24 1s72 h THR 153 Ca -0.46 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.12 1s72 h THR 153 Cb 1.35 -0.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1s72 h THR 153 CO 0.54 0.16 0.41 0.11 -0.25 0.00 0.00 175.52 176.49 1s72 h LYS 154 N 0.86 0.82 -0.00 4.72 6.56 -2.03 -1.42 116.57 126.08 1s72 h LYS 154 Ca 0.48 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 1s72 h LYS 154 Cb 0.54 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1s72 h LYS 154 CO -0.29 0.54 0.00 1.58 -2.06 0.00 0.00 179.45 179.22 1s72 n HIS 155 N -4.66 0.00 -1.77 -1.35 -0.00 -0.74 -4.83 115.22 101.87 1s72 n HIS 155 Ca 0.05 -0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.93 1s72 n HIS 155 Cb 0.03 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 29.97 1s72 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1s72 s ARG 156 N -2.00 2.42 -0.22 1.57 1.81 -0.54 -4.74 118.95 117.26 1s72 s ARG 156 Ca 0.35 0.46 -0.11 0.00 -1.72 0.00 0.00 55.73 54.71 1s72 s ARG 156 Cb 0.16 -1.97 -0.05 0.00 -0.45 0.00 0.00 34.95 32.64 1s72 s ARG 156 CO 0.27 -1.34 0.18 -1.17 -0.68 0.00 0.00 175.30 172.56 1s72 s LEU 157 N -5.55 4.15 0.47 2.53 2.96 -1.26 -5.02 118.68 116.97 1s72 s LEU 157 Ca 0.60 0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1s72 s LEU 157 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1s72 s LEU 157 CO 0.52 0.09 0.78 0.20 -1.32 0.00 0.00 176.35 176.61 1s72 s ASN 158 N 0.82 6.27 0.21 3.68 -0.87 -1.26 -2.69 114.94 121.11 1s72 s ASN 158 Ca 0.09 0.92 -0.08 0.00 -1.57 0.00 0.00 52.86 52.22 1s72 s ASN 158 Cb -0.13 -2.24 0.30 0.00 -0.02 0.00 0.00 41.25 39.16 1s72 s ASN 158 CO 0.03 -0.56 1.76 -0.65 -2.57 0.00 0.00 177.10 175.10 1s72 h PRO 159 N 0.28 0.47 0.65 -0.60 0.11 -1.75 -1.76 132.00 129.40 1s72 h PRO 159 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1s72 h PRO 159 Cb 1.20 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s72 h PRO 159 CO 0.62 0.31 -0.31 0.00 -0.21 0.00 0.00 178.00 178.40 1s72 h ALA 160 N 1.42 -0.87 0.00 -0.75 0.00 -1.94 -1.56 119.26 115.56 1s72 h ALA 160 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s72 h ALA 160 Cb 0.37 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s72 h ALA 160 CO -0.29 -0.90 0.30 -0.44 0.00 0.00 0.00 179.25 177.93 1s72 h ASP 161 N -1.06 0.00 0.00 0.00 3.32 -1.90 -0.40 116.42 116.37 1s72 h ASP 161 Ca -0.09 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1s72 h ASP 161 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1s72 h ASP 161 CO 0.15 0.00 -0.54 0.00 -1.72 0.00 0.00 179.24 177.13 1s72 h ALA 162 N 1.31 0.10 -0.84 3.45 0.00 -0.96 -3.25 119.26 119.06 1s72 h ALA 162 Ca 0.00 -0.69 0.20 0.00 0.00 0.00 0.00 54.91 54.42 1s72 h ALA 162 Cb 0.61 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1s72 h ALA 162 CO 0.00 0.33 0.30 0.28 0.00 0.00 0.00 179.25 180.16 1s72 h VAL 163 N -1.00 0.46 0.60 0.00 2.07 -0.08 -1.60 116.25 116.70 1s72 h VAL 163 Ca -0.13 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1s72 h VAL 163 Cb 0.90 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1s72 h VAL 163 CO -0.08 0.06 -0.51 0.00 0.02 0.00 0.00 177.57 177.07 1s72 h ALA 164 N 1.69 -1.20 -0.26 1.67 0.00 -1.53 0.37 119.26 120.00 1s72 h ALA 164 Ca 0.51 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1s72 h ALA 164 Cb 0.95 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 1s72 h ALA 164 CO -0.54 -1.20 -0.49 0.35 0.00 0.00 0.00 179.25 177.36 1s72 h PHE 165 N -1.08 -1.45 0.34 0.00 3.57 -1.34 0.13 116.94 117.11 1s72 h PHE 165 Ca -0.08 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1s72 h PHE 165 Cb 0.91 0.67 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1s72 h PHE 165 CO -0.21 -0.49 -0.16 0.82 -2.23 0.00 0.00 178.31 176.03 1s72 h ILE 166 N -0.46 0.67 -0.98 1.41 2.04 -1.37 -2.65 117.51 116.18 1s72 h ILE 166 Ca 0.08 -0.41 0.25 0.00 1.00 0.00 0.00 64.86 65.77 1s72 h ILE 166 Cb 0.63 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1s72 h ILE 166 CO -0.50 0.08 0.66 -0.08 0.00 0.00 0.00 178.15 178.31 1s72 h GLU 167 N -0.69 0.27 -1.46 2.37 4.81 -0.16 1.20 114.58 120.91 1s72 h GLU 167 Ca -0.05 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1s72 h GLU 167 Cb 0.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1s72 h GLU 167 CO 0.08 0.18 0.04 0.45 -0.73 0.00 0.00 179.01 179.02 1s72 n SER 168 N -4.46 4.22 -2.83 1.04 2.88 0.44 -3.96 113.62 110.95 1s72 n SER 168 Ca 0.22 -2.28 -0.11 0.00 -1.33 0.00 0.00 58.87 55.37 1s72 n SER 168 Cb 0.87 -0.81 0.05 0.00 -0.75 0.00 0.00 64.21 63.57 1s72 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1s72 n THR 169 N 0.87 -0.07 -2.12 2.46 -1.04 0.41 -4.97 114.28 109.82 1s72 n THR 169 Ca 0.03 -2.07 -0.01 0.00 -2.04 0.00 0.00 64.05 59.96 1s72 n THR 169 Cb 0.54 1.04 0.01 0.00 -1.82 0.00 0.00 70.33 70.09 1s72 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1s72 n TYR 170 N 0.76 -0.17 -3.44 -1.42 4.02 -1.26 -5.00 117.16 110.65 1s72 n TYR 170 Ca 0.10 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1s72 n TYR 170 Cb 0.66 -2.20 0.00 0.00 -0.02 0.00 0.00 39.34 37.78 1s72 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1s72 n ASP 171 N -1.08 0.00 -3.98 7.72 5.68 -1.25 -4.93 116.55 118.70 1s72 n ASP 171 Ca -0.02 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.18 1s72 n ASP 171 Cb 0.51 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.39 1s72 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1s72 s VAL 172 N -3.01 0.13 0.00 2.12 1.01 -1.26 -4.79 120.40 114.60 1s72 s VAL 172 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1s72 s VAL 172 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1s72 s VAL 172 CO 0.00 -0.58 0.00 -1.84 0.00 0.00 0.00 175.10 172.68 1s72 n GLU 173 N 1.27 0.00 0.00 2.72 0.28 -1.26 -4.73 120.64 118.92 1s72 n GLU 173 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1s72 n GLU 173 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1s72 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25