#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bm1 s ASP 2 N 0.00 6.78 0.05 3.17 2.15 -1.26 -4.94 116.67 122.62 3bm1 s ASP 2 Ca 0.00 2.37 -0.17 0.00 0.43 0.00 0.00 52.55 55.19 3bm1 s ASP 2 Cb 0.00 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.96 3bm1 s ASP 2 CO 0.00 -0.68 1.26 0.00 -0.17 0.00 0.00 175.17 175.58 3bm1 h ALA 3 N 6.81 -0.80 -0.79 3.66 0.00 -2.03 -0.73 119.26 125.37 3bm1 h ALA 3 Ca -0.42 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.61 3bm1 h ALA 3 Cb 1.21 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 3bm1 h ALA 3 CO 0.87 -0.86 0.05 1.25 0.00 0.00 0.00 179.25 180.57 3bm1 h LEU 4 N -0.38 -0.29 -0.69 0.00 6.46 -1.99 0.13 115.31 118.55 3bm1 h LEU 4 Ca -0.01 0.20 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 3bm1 h LEU 4 Cb 0.37 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 40.59 3bm1 h LEU 4 CO -0.12 -0.18 0.40 -0.08 -0.62 0.00 0.00 178.44 177.84 3bm1 h GLU 5 N 0.12 0.73 -0.59 1.25 4.81 -1.86 0.21 114.58 119.26 3bm1 h GLU 5 Ca 0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3bm1 h GLU 5 Cb 0.81 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3bm1 h GLU 5 CO -0.67 0.48 0.17 1.25 -0.73 0.00 0.00 179.01 179.51 3bm1 h LEU 6 N 0.75 0.87 -0.69 1.64 7.12 0.74 -0.41 115.31 125.33 3bm1 h LEU 6 Ca 0.30 -0.21 -0.12 0.00 0.13 0.00 0.00 57.88 57.98 3bm1 h LEU 6 Cb 0.13 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.02 3bm1 h LEU 6 CO -0.16 0.86 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.70 3bm1 h LEU 7 N 0.84 0.77 0.00 2.25 3.38 -0.75 0.30 115.31 122.09 3bm1 h LEU 7 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3bm1 h LEU 7 Cb 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bm1 h LEU 7 CO -0.00 0.98 -0.35 -0.38 0.09 0.00 0.00 178.44 178.78 3bm1 n ILE 8 N -4.11 0.23 -1.56 1.22 2.08 0.02 -3.92 119.36 113.33 3bm1 n ILE 8 Ca -0.00 -0.15 0.05 0.00 0.56 0.00 0.00 62.75 63.21 3bm1 n ILE 8 Cb 0.44 -0.19 0.07 0.00 -0.75 0.00 0.00 39.64 39.21 3bm1 n ILE 8 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3bm1 n ASN 9 N -1.85 1.21 -4.69 4.38 4.13 -0.17 -4.74 115.26 113.52 3bm1 n ASN 9 Ca 0.05 -2.58 -0.44 0.00 1.68 0.00 0.00 54.58 53.29 3bm1 n ASN 9 Cb 0.39 -0.32 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 3bm1 n ASN 9 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3bm1 n ARG 10 N -0.71 2.49 -4.07 3.52 0.63 0.10 -4.94 116.66 113.68 3bm1 n ARG 10 Ca 0.08 0.90 -0.12 0.00 -0.92 0.00 0.00 57.85 57.79 3bm1 n ARG 10 Cb 0.68 -2.71 -0.11 0.00 0.45 0.00 0.00 32.46 30.77 3bm1 n ARG 10 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3bm1 s ARG 11 N 1.20 0.54 -0.05 -0.14 3.00 -1.26 -5.07 118.95 117.16 3bm1 s ARG 11 Ca 0.77 -0.80 -0.04 0.00 0.00 0.00 0.00 55.73 55.66 3bm1 s ARG 11 Cb -0.59 -0.25 -0.04 0.00 0.00 0.00 0.00 34.95 34.07 3bm1 s ARG 11 CO 0.35 0.04 0.14 -1.12 0.00 0.00 0.00 175.30 174.71 3bm1 s SER 12 N -1.71 6.22 -0.18 0.23 0.01 -1.26 -4.83 113.70 112.17 3bm1 s SER 12 Ca -0.08 0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.54 3bm1 s SER 12 Cb -0.08 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.23 3bm1 s SER 12 CO -0.00 0.32 -0.14 0.00 0.41 0.00 0.00 173.24 173.84 3bm1 s ALA 13 N -1.18 2.05 0.77 1.44 0.00 -0.71 -4.97 121.76 119.16 3bm1 s ALA 13 Ca 0.21 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3bm1 s ALA 13 Cb -0.12 -1.20 0.14 0.00 0.00 0.00 0.00 23.12 21.94 3bm1 s ALA 13 CO 0.12 -0.60 1.07 -1.54 0.00 0.00 0.00 175.76 174.81 3bm1 s SER 14 N 1.39 4.11 -0.42 0.00 1.04 -1.26 -4.02 113.70 114.54 3bm1 s SER 14 Ca 0.02 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 3bm1 s SER 14 Cb -0.15 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3bm1 s SER 14 CO -0.10 -2.03 0.56 0.54 0.98 0.00 0.00 173.24 173.19 3bm1 n ARG 15 N -3.05 -2.40 -4.41 4.02 1.74 -1.26 -4.84 116.66 106.46 3bm1 n ARG 15 Ca 0.14 2.09 -0.24 0.00 -0.77 0.00 0.00 57.85 59.08 3bm1 n ARG 15 Cb 0.60 -5.25 -0.09 0.00 -1.02 0.00 0.00 32.46 26.69 3bm1 n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bm1 s LEU 16 N -2.52 2.76 0.30 0.55 1.43 -1.24 -4.05 118.68 115.90 3bm1 s LEU 16 Ca 0.25 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 3bm1 s LEU 16 Cb -0.06 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 3bm1 s LEU 16 CO 0.78 0.04 0.40 0.00 0.23 0.00 0.00 176.35 177.79 3bm1 s ALA 17 N -2.38 0.71 0.57 4.21 0.00 0.65 -4.54 121.76 120.98 3bm1 s ALA 17 Ca 0.30 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 3bm1 s ALA 17 Cb -0.06 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 3bm1 s ALA 17 CO 0.16 -0.76 1.32 -1.21 0.00 0.00 0.00 175.76 175.27 3bm1 s GLU 18 N -3.49 3.01 0.36 0.00 0.41 -1.26 0.45 118.70 118.18 3bm1 s GLU 18 Ca 0.31 2.13 -0.02 0.00 -0.41 0.00 0.00 54.97 56.98 3bm1 s GLU 18 Cb 0.01 -2.13 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 3bm1 s GLU 18 CO 0.17 -1.26 0.60 -1.25 -0.49 0.00 0.00 175.26 173.03 3bm1 s PRO 19 N -3.05 3.53 0.47 0.39 0.04 -1.26 -4.66 135.00 130.47 3bm1 s PRO 19 Ca 0.74 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 3bm1 s PRO 19 Cb -0.38 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 3bm1 s PRO 19 CO 0.44 0.09 0.73 0.00 0.04 0.00 0.00 177.00 178.30 3bm1 s ALA 20 N -2.35 3.54 0.25 8.56 0.00 -1.26 -2.81 121.76 127.69 3bm1 s ALA 20 Ca 0.42 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 3bm1 s ALA 20 Cb -0.10 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.54 3bm1 s ALA 20 CO 0.36 -0.39 1.55 -2.14 0.00 0.00 0.00 175.76 175.14 3bm1 s PRO 21 N -4.66 4.19 0.23 0.00 0.02 -1.26 -4.99 135.00 128.51 3bm1 s PRO 21 Ca 0.48 2.45 0.01 0.00 0.02 0.00 0.00 61.00 63.97 3bm1 s PRO 21 Cb -0.10 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 3bm1 s PRO 21 CO 0.41 -0.56 0.06 0.95 -0.33 0.00 0.00 177.00 177.53 3bm1 s THR 22 N 0.23 0.60 0.00 0.99 -4.23 -1.26 -4.31 115.64 107.66 3bm1 s THR 22 Ca 0.64 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3bm1 s THR 22 Cb -0.45 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3bm1 s THR 22 CO 0.43 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3bm1 n GLY 23 N -0.38 2.94 0.35 3.99 0.00 -1.26 -1.27 105.19 109.56 3bm1 n GLY 23 Ca -0.02 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 45.98 3bm1 n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bm1 h GLU 24 N 0.00 0.00 -0.34 1.61 4.39 -1.98 0.19 114.58 118.45 3bm1 h GLU 24 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3bm1 h GLU 24 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3bm1 h GLU 24 CO 0.00 0.00 0.10 1.96 -1.16 0.00 0.00 179.01 179.91 3bm1 h GLN 25 N 0.00 0.53 -0.24 2.33 1.08 -1.55 0.21 115.11 117.47 3bm1 h GLN 25 Ca 0.19 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 3bm1 h GLN 25 Cb 0.79 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 3bm1 h GLN 25 CO -0.00 0.57 -0.36 1.25 -0.95 0.00 0.00 178.83 179.33 3bm1 h LEU 26 N 0.39 0.73 -0.99 1.46 5.85 -1.01 -2.82 115.31 118.92 3bm1 h LEU 26 Ca 0.11 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3bm1 h LEU 26 Cb 0.26 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3bm1 h LEU 26 CO -0.00 1.11 0.46 1.56 -0.34 0.00 0.00 178.44 181.23 3bm1 h GLN 27 N 0.38 1.17 -0.17 1.25 1.08 -0.90 -0.97 115.11 116.95 3bm1 h GLN 27 Ca 0.02 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3bm1 h GLN 27 Cb 0.95 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3bm1 h GLN 27 CO 0.08 0.85 0.11 -0.91 -0.95 0.00 0.00 178.83 178.02 3bm1 h ASN 28 N 1.17 0.20 -0.15 1.46 -0.26 -0.48 0.23 115.58 117.76 3bm1 h ASN 28 Ca 0.30 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.91 3bm1 h ASN 28 Cb 0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 3bm1 h ASN 28 CO -0.05 0.15 -0.39 0.40 -1.06 0.00 0.00 177.43 176.48 3bm1 h ILE 29 N 0.23 1.35 -0.10 2.81 2.04 -0.95 -2.35 117.51 120.55 3bm1 h ILE 29 Ca 0.06 -1.67 -0.10 0.00 1.00 0.00 0.00 64.86 64.15 3bm1 h ILE 29 Cb -0.02 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3bm1 h ILE 29 CO -0.01 0.50 -0.40 -0.07 0.00 0.00 0.00 178.15 178.17 3bm1 h LEU 30 N 0.16 0.22 -0.54 1.44 -0.00 -0.55 -2.28 115.31 113.76 3bm1 h LEU 30 Ca -0.01 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 3bm1 h LEU 30 Cb 1.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.59 3bm1 h LEU 30 CO 0.08 0.60 -0.10 0.03 -0.00 0.00 0.00 178.44 179.06 3bm1 h ARG 31 N 0.18 1.02 -0.59 1.13 -0.00 -0.55 -2.70 114.38 112.87 3bm1 h ARG 31 Ca 0.02 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.98 59.07 3bm1 h ARG 31 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.67 3bm1 h ARG 31 CO 0.06 1.07 0.16 0.00 0.00 0.00 0.00 179.97 181.25 3bm1 h ALA 32 N 0.93 0.78 -0.69 0.04 0.00 -1.22 -2.97 119.26 116.12 3bm1 h ALA 32 Ca 0.14 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3bm1 h ALA 32 Cb 0.67 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3bm1 h ALA 32 CO 0.05 0.47 0.35 0.78 0.00 0.00 0.00 179.25 180.90 3bm1 h GLY 33 N 0.85 1.03 -0.39 0.00 0.00 -1.19 -1.57 103.07 101.80 3bm1 h GLY 33 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3bm1 h GLY 33 CO -0.00 0.07 0.00 1.15 0.00 0.00 0.00 176.54 177.76 3bm1 n MET 34 N -4.86 0.95 -0.24 4.80 0.00 -1.04 -2.88 117.12 113.85 3bm1 n MET 34 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.87 3bm1 n MET 34 Cb 0.25 -1.19 0.17 0.00 0.00 0.00 0.00 33.22 32.46 3bm1 n MET 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3bm1 n ARG 35 N -0.29 2.64 -1.71 3.17 5.12 -0.59 -5.02 116.66 119.97 3bm1 n ARG 35 Ca 0.00 -2.39 -0.32 0.00 -1.93 0.00 0.00 57.85 53.21 3bm1 n ARG 35 Cb 0.09 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 29.93 3bm1 n ARG 35 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bm1 s ALA 36 N -2.07 2.50 0.49 7.54 0.00 -1.14 -4.95 121.76 124.13 3bm1 s ALA 36 Ca 0.29 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 3bm1 s ALA 36 Cb 0.22 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 3bm1 s ALA 36 CO 0.09 -1.27 1.24 -0.35 0.00 0.00 0.00 175.76 175.47 3bm1 n PRO 37 N -2.60 1.65 -3.36 0.00 -0.04 -1.26 -4.99 135.00 124.41 3bm1 n PRO 37 Ca 0.10 0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 64.03 3bm1 n PRO 37 Cb 0.52 -2.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.50 3bm1 n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bm1 s ASP 38 N -0.79 0.90 -0.05 3.54 2.15 -1.26 -4.57 116.67 116.60 3bm1 s ASP 38 Ca 0.67 -0.38 -0.30 0.00 0.43 0.00 0.00 52.55 52.97 3bm1 s ASP 38 Cb -0.46 0.83 -0.05 0.00 -0.30 0.00 0.00 42.92 42.94 3bm1 s ASP 38 CO 0.53 -0.35 1.62 -2.28 -0.17 0.00 0.00 175.17 174.52 3bm1 s HIS 39 N 2.46 2.08 -1.16 -5.34 5.65 -1.26 -1.93 115.29 115.80 3bm1 s HIS 39 Ca 0.10 0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.67 3bm1 s HIS 39 Cb -0.14 -3.89 0.00 0.00 -1.18 0.00 0.00 32.58 27.37 3bm1 s HIS 39 CO -0.27 -3.69 0.00 1.63 -0.65 0.00 0.00 174.74 171.76 3bm1 n LYS 40 N 6.95 -0.78 -4.02 2.88 4.76 -1.26 -3.83 118.16 122.86 3bm1 n LYS 40 Ca 0.17 0.86 -0.34 0.00 -2.87 0.00 0.00 58.31 56.13 3bm1 n LYS 40 Cb 0.43 -4.84 -0.02 0.00 -1.84 0.00 0.00 35.03 28.76 3bm1 n LYS 40 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3bm1 n SER 41 N 0.19 -2.02 0.10 4.39 7.64 -0.81 -4.87 113.62 118.24 3bm1 n SER 41 Ca -0.11 -1.15 0.12 0.00 1.01 0.00 0.00 58.87 58.74 3bm1 n SER 41 Cb 0.38 -2.41 0.21 0.00 -1.01 0.00 0.00 64.21 61.38 3bm1 n SER 41 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3bm1 h MET 42 N -2.05 0.00 -6.68 1.43 2.86 -1.81 -3.48 114.93 105.20 3bm1 h MET 42 Ca -0.67 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.43 3bm1 h MET 42 Cb 1.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.01 3bm1 h MET 42 CO 0.59 0.00 -0.96 1.04 1.06 0.00 0.00 176.91 178.64 3bm1 n GLN 43 N -2.35 -1.34 -1.11 1.72 6.02 -1.26 -4.78 117.38 114.28 3bm1 n GLN 43 Ca 0.03 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.95 3bm1 n GLN 43 Cb 0.46 -3.60 -0.03 0.00 1.02 0.00 0.00 30.24 28.10 3bm1 n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3bm1 n PRO 44 N -4.60 3.12 -3.76 -1.09 -0.04 -1.26 -4.86 135.00 122.50 3bm1 n PRO 44 Ca -0.19 -1.92 -0.10 0.00 -0.04 0.00 0.00 63.50 61.25 3bm1 n PRO 44 Cb 0.62 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 3bm1 n PRO 44 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3bm1 s TRP 45 N 2.57 -0.05 -0.14 0.54 1.48 -1.26 -2.02 118.94 120.06 3bm1 s TRP 45 Ca 0.59 -0.29 -0.09 0.00 -1.06 0.00 0.00 56.10 55.25 3bm1 s TRP 45 Cb 0.16 0.31 0.05 0.00 -1.16 0.00 0.00 33.47 32.83 3bm1 s TRP 45 CO -0.05 -0.87 0.35 -1.58 -4.06 0.00 0.00 176.95 170.74 3bm1 s HIS 46 N -3.88 -0.48 -0.25 1.66 2.46 -0.46 -4.75 115.29 109.59 3bm1 s HIS 46 Ca 0.10 1.08 -0.07 0.00 0.47 0.00 0.00 55.06 56.64 3bm1 s HIS 46 Cb -0.00 0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.60 3bm1 s HIS 46 CO -0.03 -0.28 0.07 -0.06 -2.47 0.00 0.00 174.74 171.96 3bm1 s PHE 47 N 1.12 3.08 -0.37 3.88 2.99 -1.26 -1.51 117.98 125.91 3bm1 s PHE 47 Ca -0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 56.93 56.29 3bm1 s PHE 47 Cb -0.08 -2.23 0.01 0.00 0.00 0.00 0.00 43.02 40.72 3bm1 s PHE 47 CO -0.09 -0.36 0.25 -0.06 -0.00 0.00 0.00 175.22 174.97 3bm1 s PHE 48 N 1.59 3.23 -0.23 0.36 0.08 -0.07 -4.96 117.98 117.98 3bm1 s PHE 48 Ca 0.06 -0.54 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 3bm1 s PHE 48 Cb -0.15 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 3bm1 s PHE 48 CO 0.03 -0.52 0.71 0.08 -0.10 0.00 0.00 175.22 175.43 3bm1 s VAL 49 N 1.66 4.94 -0.13 -0.44 1.01 -1.26 -0.86 120.40 125.32 3bm1 s VAL 49 Ca 0.05 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3bm1 s VAL 49 Cb -0.18 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.20 3bm1 s VAL 49 CO 0.09 0.02 -0.20 -0.63 0.00 0.00 0.00 175.10 174.38 3bm1 s ILE 50 N 2.41 1.89 0.02 2.22 1.01 0.14 -5.01 121.20 123.87 3bm1 s ILE 50 Ca 0.31 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 3bm1 s ILE 50 Cb -0.16 -1.68 0.09 0.00 0.01 0.00 0.00 42.46 40.72 3bm1 s ILE 50 CO 0.09 0.52 0.77 -0.70 0.00 0.00 0.00 174.94 175.62 3bm1 s GLU 51 N 0.90 0.98 5.60 2.79 -6.30 -1.26 -0.63 118.70 120.78 3bm1 s GLU 51 Ca -0.06 -0.19 0.00 0.00 -2.50 0.00 0.00 54.97 52.22 3bm1 s GLU 51 Cb -0.15 0.46 0.00 0.00 0.00 0.00 0.00 34.13 34.43 3bm1 s GLU 51 CO -0.02 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3bm1 n GLY 52 N 0.07 2.38 0.34 -1.50 0.00 -1.26 -2.25 105.19 102.96 3bm1 n GLY 52 Ca -0.14 -0.49 0.21 0.00 0.00 0.00 0.00 46.02 45.60 3bm1 n GLY 52 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bm1 h GLU 53 N 0.00 0.00 0.00 1.61 4.39 -2.00 -0.22 114.58 118.36 3bm1 h GLU 53 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3bm1 h GLU 53 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3bm1 h GLU 53 CO 0.00 0.00 -0.04 0.78 -1.16 0.00 0.00 179.01 178.59 3bm1 h GLY 54 N 0.00 0.00 2.00 -3.84 0.00 -1.85 -1.30 103.07 98.08 3bm1 h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bm1 h GLY 54 CO -0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 3bm1 h ARG 55 N 0.00 0.00 -0.06 4.80 3.08 -1.19 -2.61 114.38 118.40 3bm1 h ARG 55 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3bm1 h ARG 55 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3bm1 h ARG 55 CO 0.00 0.00 -0.32 0.93 -1.07 0.00 0.00 179.97 179.52 3bm1 h GLU 56 N 0.00 0.32 -0.64 0.04 4.39 -1.41 -1.39 114.58 115.90 3bm1 h GLU 56 Ca 0.00 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3bm1 h GLU 56 Cb 0.40 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3bm1 h GLU 56 CO 0.00 0.91 0.08 -0.09 -1.16 0.00 0.00 179.01 178.76 3bm1 h ARG 57 N -0.19 1.06 -0.65 2.33 2.43 -1.62 -0.27 114.38 117.47 3bm1 h ARG 57 Ca -0.02 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3bm1 h ARG 57 Cb 0.98 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3bm1 h ARG 57 CO 0.07 0.98 0.41 0.35 -1.51 0.00 0.00 179.97 180.27 3bm1 h PHE 58 N 0.99 0.83 -0.18 2.20 3.57 -1.47 -0.78 116.94 122.09 3bm1 h PHE 58 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3bm1 h PHE 58 Cb 0.45 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3bm1 h PHE 58 CO 0.03 0.54 0.06 1.03 -2.23 0.00 0.00 178.31 177.74 3bm1 h SER 59 N 0.88 0.08 -0.63 0.41 0.87 -0.66 -1.16 113.55 113.34 3bm1 h SER 59 Ca 0.23 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 3bm1 h SER 59 Cb -0.07 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 3bm1 h SER 59 CO -0.05 0.07 0.33 0.00 -0.53 0.00 0.00 176.83 176.65 3bm1 h ALA 60 N 1.10 0.84 0.27 6.23 0.00 -0.45 -0.51 119.26 126.74 3bm1 h ALA 60 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3bm1 h ALA 60 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3bm1 h ALA 60 CO -0.07 -0.02 -0.13 0.28 0.00 0.00 0.00 179.25 179.31 3bm1 h VAL 61 N 0.61 0.77 -0.39 0.00 2.07 -0.80 -0.69 116.25 117.81 3bm1 h VAL 61 Ca 0.29 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3bm1 h VAL 61 Cb 0.22 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3bm1 h VAL 61 CO -0.20 0.04 0.12 -0.07 0.02 0.00 0.00 177.57 177.48 3bm1 h LEU 62 N -0.45 0.10 -0.16 2.57 3.38 -0.98 0.36 115.31 120.13 3bm1 h LEU 62 Ca -0.04 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3bm1 h LEU 62 Cb 0.34 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3bm1 h LEU 62 CO 0.06 0.09 -0.02 -0.08 0.09 0.00 0.00 178.44 178.58 3bm1 h GLU 63 N 0.27 0.02 -0.95 1.13 4.81 -0.99 0.23 114.58 119.10 3bm1 h GLU 63 Ca 0.18 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3bm1 h GLU 63 Cb 0.18 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3bm1 h GLU 63 CO -0.21 0.01 0.62 0.37 -0.73 0.00 0.00 179.01 179.08 3bm1 h GLN 64 N 0.02 1.15 -0.62 1.92 4.15 -0.69 -1.68 115.11 119.37 3bm1 h GLN 64 Ca 0.08 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 3bm1 h GLN 64 Cb 0.11 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3bm1 h GLN 64 CO -0.15 0.76 0.04 0.78 -1.93 0.00 0.00 178.83 178.33 3bm1 h GLY 65 N 1.19 1.14 0.83 2.39 0.00 -0.11 -1.69 103.07 106.82 3bm1 h GLY 65 Ca 0.38 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3bm1 h GLY 65 CO -0.13 0.73 0.03 0.00 0.00 0.00 0.00 176.54 177.17 3bm1 h ALA 66 N 1.06 0.25 -0.98 3.60 0.00 -0.48 -1.28 119.26 121.42 3bm1 h ALA 66 Ca 0.18 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3bm1 h ALA 66 Cb 0.50 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3bm1 h ALA 66 CO 0.02 -0.07 0.64 0.82 0.00 0.00 0.00 179.25 180.66 3bm1 h ILE 67 N 0.10 1.17 -0.12 0.00 2.04 -1.24 -1.40 117.51 118.07 3bm1 h ILE 67 Ca 0.06 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3bm1 h ILE 67 Cb 0.32 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3bm1 h ILE 67 CO 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 178.15 178.05 3bm1 h ALA 68 N 1.40 1.21 -0.00 1.87 0.00 -1.09 -2.23 119.26 120.42 3bm1 h ALA 68 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bm1 h ALA 68 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3bm1 h ALA 68 CO -0.12 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.65 3bm1 n ALA 69 N -2.48 2.65 -1.07 0.00 0.00 -0.50 -4.90 120.51 114.21 3bm1 n ALA 69 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 3bm1 n ALA 69 Cb 0.42 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3bm1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bm1 n GLY 70 N 1.07 0.59 3.71 0.00 0.00 -0.84 -5.01 105.19 104.71 3bm1 n GLY 70 Ca 0.22 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3bm1 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bm1 s SER 71 N -2.67 3.98 1.06 1.61 0.01 -0.97 -5.01 113.70 111.72 3bm1 s SER 71 Ca 0.00 2.33 -0.17 0.00 1.31 0.00 0.00 55.95 59.42 3bm1 s SER 71 Cb 0.00 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.88 3bm1 s SER 71 CO 0.00 -2.41 1.22 1.51 0.41 0.00 0.00 173.24 173.97 3bm1 s ASP 72 N -2.15 2.18 0.12 2.44 3.84 -1.26 -4.72 116.67 117.12 3bm1 s ASP 72 Ca 0.73 0.46 -0.33 0.00 -0.00 0.00 0.00 52.55 53.41 3bm1 s ASP 72 Cb -0.28 -0.62 -0.12 0.00 -1.38 0.00 0.00 42.92 40.52 3bm1 s ASP 72 CO 0.48 -3.33 1.56 0.44 -0.00 0.00 0.00 175.17 174.31 3bm1 h ASP 73 N -2.04 -1.70 -1.00 2.11 3.32 -1.99 -1.12 116.42 114.00 3bm1 h ASP 73 Ca -0.45 0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.85 3bm1 h ASP 73 Cb 1.27 0.67 -0.06 0.00 0.22 0.00 0.00 39.33 41.43 3bm1 h ASP 73 CO 0.38 -0.47 0.65 0.11 -1.72 0.00 0.00 179.24 178.18 3bm1 h LYS 74 N -0.55 1.20 -0.29 3.56 1.57 -1.99 -0.95 116.57 119.12 3bm1 h LYS 74 Ca 0.04 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3bm1 h LYS 74 Cb 0.67 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3bm1 h LYS 74 CO -0.45 0.79 -0.03 0.00 -0.57 0.00 0.00 179.45 179.19 3bm1 h ALA 75 N 1.42 0.39 -0.56 3.86 0.00 -1.84 -0.77 119.26 121.76 3bm1 h ALA 75 Ca 0.40 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3bm1 h ALA 75 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3bm1 h ALA 75 CO -0.14 0.16 0.37 0.82 0.00 0.00 0.00 179.25 180.47 3bm1 h ILE 76 N 0.30 1.10 0.59 0.00 2.04 -0.86 -0.39 117.51 120.29 3bm1 h ILE 76 Ca 0.08 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3bm1 h ILE 76 Cb 0.48 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3bm1 h ILE 76 CO 0.02 0.13 -0.28 0.44 0.00 0.00 0.00 178.15 178.46 3bm1 h ASP 77 N 0.70 -0.67 -0.47 1.72 3.32 -0.77 -1.59 116.42 118.65 3bm1 h ASP 77 Ca 0.21 -0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.36 3bm1 h ASP 77 Cb 0.01 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3bm1 h ASP 77 CO -0.05 -0.32 0.34 0.07 -1.72 0.00 0.00 179.24 177.56 3bm1 h LYS 78 N -1.05 0.01 -0.24 3.56 2.10 -0.84 -0.40 116.57 119.71 3bm1 h LYS 78 Ca -0.08 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.52 3bm1 h LYS 78 Cb 0.66 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 3bm1 h LYS 78 CO 0.13 0.01 -0.04 0.00 -2.00 0.00 0.00 179.45 177.55 3bm1 h ALA 79 N 1.77 0.33 -0.34 0.07 0.00 -0.84 -1.05 119.26 119.20 3bm1 h ALA 79 Ca 0.22 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3bm1 h ALA 79 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3bm1 h ALA 79 CO -0.01 0.11 -0.19 -0.09 0.00 0.00 0.00 179.25 179.07 3bm1 h ARG 80 N 0.20 0.63 0.00 0.00 2.43 -0.09 -3.09 114.38 114.46 3bm1 h ARG 80 Ca 0.06 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3bm1 h ARG 80 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3bm1 h ARG 80 CO 0.02 0.79 -0.56 0.09 -1.51 0.00 0.00 179.97 178.79 3bm1 n ASN 81 N -4.14 0.62 -0.26 -3.80 3.02 -0.70 -4.48 115.26 105.52 3bm1 n ASN 81 Ca 0.00 0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 3bm1 n ASN 81 Cb 0.39 0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.75 3bm1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bm1 h ALA 82 N 2.64 0.22 -0.35 5.41 0.00 -1.10 -1.75 119.26 124.33 3bm1 h ALA 82 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.25 3bm1 h ALA 82 Cb 0.68 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3bm1 h ALA 82 CO 0.00 -0.56 0.32 -1.35 0.00 0.00 0.00 179.25 177.67 3bm1 h PRO 83 N -0.07 0.00 -0.14 0.00 0.11 -1.79 -1.92 132.00 128.19 3bm1 h PRO 83 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3bm1 h PRO 83 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3bm1 h PRO 83 CO -0.78 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.20 3bm1 n PHE 84 N -3.98 0.18 1.47 0.65 3.72 -0.66 -3.70 117.46 115.14 3bm1 n PHE 84 Ca 0.06 -0.09 0.15 0.00 -0.05 0.00 0.00 57.45 57.51 3bm1 n PHE 84 Cb 0.49 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.78 3bm1 n PHE 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3bm1 n ARG 85 N -0.09 0.51 -3.59 -1.08 1.74 -0.72 -4.84 116.66 108.58 3bm1 n ARG 85 Ca 0.09 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3bm1 n ARG 85 Cb 0.16 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 3bm1 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bm1 s ALA 86 N -2.52 -1.20 0.07 7.54 0.00 -1.24 -3.73 121.76 120.68 3bm1 s ALA 86 Ca 0.30 0.38 0.13 0.00 0.00 0.00 0.00 51.96 52.78 3bm1 s ALA 86 Cb 0.20 0.49 0.21 0.00 0.00 0.00 0.00 23.12 24.03 3bm1 s ALA 86 CO 0.46 -0.55 1.51 -1.00 0.00 0.00 0.00 175.76 176.17 3bm1 h PRO 87 N 2.66 0.00 -4.78 0.00 0.13 -1.85 -3.45 132.00 124.71 3bm1 h PRO 87 Ca -0.32 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.42 3bm1 h PRO 87 Cb 1.23 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 3bm1 h PRO 87 CO 0.43 0.61 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.86 3bm1 s LEU 88 N -6.86 2.05 -0.02 1.56 2.96 -1.04 -4.06 118.68 113.28 3bm1 s LEU 88 Ca 0.01 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3bm1 s LEU 88 Cb 0.10 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.34 3bm1 s LEU 88 CO 0.75 0.08 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.20 3bm1 s ILE 89 N -0.37 0.31 -0.21 6.68 1.01 0.20 -0.08 121.20 128.73 3bm1 s ILE 89 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3bm1 s ILE 89 Cb -0.04 -0.31 0.04 0.00 0.01 0.00 0.00 42.46 42.16 3bm1 s ILE 89 CO -0.00 0.12 -0.14 -0.63 0.00 0.00 0.00 174.94 174.30 3bm1 s ILE 90 N 0.33 1.96 -0.19 2.92 1.01 -0.31 0.26 121.20 127.18 3bm1 s ILE 90 Ca -0.03 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 3bm1 s ILE 90 Cb -0.07 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3bm1 s ILE 90 CO -0.01 0.21 0.48 -0.89 0.00 0.00 0.00 174.94 174.74 3bm1 s THR 91 N 1.26 5.14 -0.25 2.92 2.01 -0.04 -1.06 115.64 125.61 3bm1 s THR 91 Ca -0.02 0.89 -0.07 0.00 0.31 0.00 0.00 61.69 62.79 3bm1 s THR 91 Cb -0.17 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3bm1 s THR 91 CO -0.09 0.21 0.07 -0.69 -0.69 0.00 0.00 174.62 173.44 3bm1 s VAL 92 N 1.44 4.35 -0.14 3.82 1.01 -0.76 -0.90 120.40 129.22 3bm1 s VAL 92 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3bm1 s VAL 92 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3bm1 s VAL 92 CO 0.09 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 3bm1 s VAL 93 N 1.62 3.94 -0.43 2.92 1.01 -0.57 -1.55 120.40 127.34 3bm1 s VAL 93 Ca 0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 3bm1 s VAL 93 Cb -0.15 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3bm1 s VAL 93 CO 0.04 0.52 0.92 0.00 0.00 0.00 0.00 175.10 176.57 3bm1 s ALA 94 N 0.11 3.30 -0.58 5.51 0.00 0.81 -1.35 121.76 129.57 3bm1 s ALA 94 Ca -0.01 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 3bm1 s ALA 94 Cb -0.13 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.50 3bm1 s ALA 94 CO 0.03 -1.88 0.67 0.15 0.00 0.00 0.00 175.76 174.72 3bm1 s LYS 95 N 3.63 3.04 0.06 0.00 -0.14 -0.86 -1.88 119.74 123.58 3bm1 s LYS 95 Ca 0.37 -1.33 -0.08 0.00 -1.36 0.00 0.00 55.97 53.57 3bm1 s LYS 95 Cb -0.11 -4.25 -0.05 0.00 -1.68 0.00 0.00 37.83 31.73 3bm1 s LYS 95 CO 0.23 -1.49 0.35 0.00 -0.76 0.00 0.00 175.35 173.69 3bm1 s GLU 97 N -1.89 0.78 0.08 0.00 2.56 -1.26 -4.83 118.70 114.15 3bm1 s GLU 97 Ca 0.31 -0.72 -0.31 0.00 0.00 0.00 0.00 54.97 54.25 3bm1 s GLU 97 Cb -0.14 -0.74 -0.08 0.00 2.00 0.00 0.00 34.13 35.18 3bm1 s GLU 97 CO 0.18 0.18 1.50 -2.00 -0.56 0.00 0.00 175.26 174.55 3bm1 s GLU 98 N -1.20 4.26 0.00 4.30 2.56 -1.26 -4.89 118.70 122.47 3bm1 s GLU 98 Ca -0.01 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.12 3bm1 s GLU 98 Cb -0.08 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.63 3bm1 s GLU 98 CO 0.01 -0.58 0.00 -1.71 -0.56 0.00 0.00 175.26 172.42 3bm1 n ASN 99 N 4.79 1.98 0.00 -1.70 5.15 -1.26 -5.01 115.26 119.21 3bm1 n ASN 99 Ca 0.14 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3bm1 n ASN 99 Cb 0.42 0.53 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 3bm1 n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bm1 n HIS 100 N -0.73 0.00 0.45 1.20 1.44 -1.26 -4.21 115.22 112.11 3bm1 n HIS 100 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 3bm1 n HIS 100 Cb 0.00 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 3bm1 n HIS 100 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 3bm1 n LYS 101 N 0.00 0.78 -3.66 -1.40 0.00 -1.26 -4.78 118.16 107.84 3bm1 n LYS 101 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 58.31 57.93 3bm1 n LYS 101 Cb 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 35.03 33.49 3bm1 n LYS 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3bm1 s VAL 102 N -3.00 0.84 0.85 3.15 1.01 -1.26 -5.06 120.40 116.93 3bm1 s VAL 102 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 61.98 60.10 3bm1 s VAL 102 Cb 0.13 -1.62 0.08 0.00 0.00 0.00 0.00 36.38 34.98 3bm1 s VAL 102 CO 0.76 -0.80 1.03 -0.81 0.00 0.00 0.00 175.10 175.28 3bm1 n PRO 103 N 4.34 -0.04 -0.20 2.72 -0.04 -1.26 -4.32 135.00 136.20 3bm1 n PRO 103 Ca 0.03 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 3bm1 n PRO 103 Cb 0.39 -2.29 0.05 0.00 -0.04 0.00 0.00 33.50 31.60 3bm1 n PRO 103 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3bm1 h ARG 104 N -1.20 -0.03 -0.45 0.54 9.65 -2.00 -1.67 114.38 119.21 3bm1 h ARG 104 Ca -0.45 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.55 3bm1 h ARG 104 Cb 1.29 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 3bm1 h ARG 104 CO 0.43 -0.02 0.32 0.11 2.80 0.00 0.00 179.97 183.60 3bm1 h TRP 105 N -0.04 0.07 -0.04 2.20 5.08 -1.99 -0.58 115.95 120.65 3bm1 h TRP 105 Ca 0.28 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.14 3bm1 h TRP 105 Cb 0.47 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 3bm1 h TRP 105 CO -0.52 0.03 -0.51 0.93 -1.28 0.00 0.00 178.44 177.09 3bm1 h GLU 106 N 0.07 0.11 0.06 0.12 5.08 -1.64 -1.12 114.58 117.26 3bm1 h GLU 106 Ca 0.21 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.26 3bm1 h GLU 106 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3bm1 h GLU 106 CO -0.02 0.60 -1.07 1.96 -1.00 0.00 0.00 179.01 179.48 3bm1 h GLN 107 N 0.09 0.32 -0.43 2.33 4.20 -1.13 -2.90 115.11 117.59 3bm1 h GLN 107 Ca 0.00 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.21 3bm1 h GLN 107 Cb 0.93 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 3bm1 h GLN 107 CO 0.07 1.14 -0.05 0.93 -0.67 0.00 0.00 178.83 180.25 3bm1 h GLU 108 N 0.14 0.72 -0.00 1.46 5.08 -1.07 -2.61 114.58 118.31 3bm1 h GLU 108 Ca -0.10 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 3bm1 h GLU 108 Cb 1.75 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 3bm1 h GLU 108 CO 0.18 0.77 -0.67 1.98 -1.00 0.00 0.00 179.01 180.28 3bm1 h MET 109 N 0.67 0.02 -0.59 2.33 4.05 -1.20 -1.11 114.93 119.10 3bm1 h MET 109 Ca 0.13 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3bm1 h MET 109 Cb 0.49 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3bm1 h MET 109 CO 0.03 0.68 0.18 1.03 0.23 0.00 0.00 176.91 179.06 3bm1 h SER 110 N 0.02 0.86 -0.48 1.39 0.87 -1.28 0.28 113.55 115.21 3bm1 h SER 110 Ca -0.01 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 3bm1 h SER 110 Cb 1.18 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3bm1 h SER 110 CO 0.09 0.84 -0.10 0.00 -0.53 0.00 0.00 176.83 177.13 3bm1 h ALA 111 N 1.05 0.66 -0.97 6.23 0.00 -1.30 -1.78 119.26 123.15 3bm1 h ALA 111 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3bm1 h ALA 111 Cb 0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3bm1 h ALA 111 CO -0.01 0.55 0.60 0.78 0.00 0.00 0.00 179.25 181.18 3bm1 h GLY 112 N 0.76 1.39 1.53 0.00 0.00 -0.65 -1.69 103.07 104.41 3bm1 h GLY 112 Ca 0.12 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3bm1 h GLY 112 CO 0.04 0.55 -0.10 0.00 0.00 0.00 0.00 176.54 177.03 3bm1 h ALA 114 N 1.37 1.51 0.01 0.00 0.00 -0.43 -0.16 119.26 121.55 3bm1 h ALA 114 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bm1 h ALA 114 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bm1 h ALA 114 CO 0.03 0.36 -0.00 0.28 0.00 0.00 0.00 179.25 179.91 3bm1 h VAL 115 N 1.03 1.05 -0.31 0.00 2.07 -1.12 -0.07 116.25 118.90 3bm1 h VAL 115 Ca 0.39 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.75 3bm1 h VAL 115 Cb 0.19 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3bm1 h VAL 115 CO -0.14 0.05 0.16 -0.03 0.02 0.00 0.00 177.57 177.62 3bm1 h MET 116 N -0.08 0.33 -0.95 1.57 -1.53 -1.17 0.47 114.93 113.56 3bm1 h MET 116 Ca -0.00 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 3bm1 h MET 116 Cb 0.08 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.00 3bm1 h MET 116 CO 0.00 0.22 0.61 0.00 0.14 0.00 0.00 176.91 177.88 3bm1 h ALA 117 N 1.16 1.29 -0.23 0.39 0.00 -0.89 0.34 119.26 121.31 3bm1 h ALA 117 Ca 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3bm1 h ALA 117 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3bm1 h ALA 117 CO -0.08 0.45 -0.36 0.52 0.00 0.00 0.00 179.25 179.78 3bm1 h MET 118 N 1.16 0.51 -0.48 0.00 2.86 -0.38 0.12 114.93 118.72 3bm1 h MET 118 Ca 0.39 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 3bm1 h MET 118 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3bm1 h MET 118 CO -0.15 0.79 -0.20 0.37 1.06 0.00 0.00 176.91 178.79 3bm1 h GLN 119 N 0.43 0.98 -0.37 1.72 -0.00 0.05 -2.41 115.11 115.51 3bm1 h GLN 119 Ca 0.05 -0.41 -0.16 0.00 -0.00 0.00 0.00 58.65 58.13 3bm1 h GLN 119 Cb 0.82 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 3bm1 h GLN 119 CO 0.07 1.08 -0.41 0.52 0.00 0.00 0.00 178.83 180.09 3bm1 h MET 120 N 0.85 0.93 -0.46 1.69 0.00 -0.77 -2.45 114.93 114.72 3bm1 h MET 120 Ca 0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 59.70 59.30 3bm1 h MET 120 Cb 0.77 0.02 -0.02 0.00 0.00 0.00 0.00 31.60 32.37 3bm1 h MET 120 CO 0.06 1.16 0.25 0.00 0.00 0.00 0.00 176.91 178.38 3bm1 h ALA 121 N 0.77 1.58 -0.08 6.32 0.00 -0.86 0.29 119.26 127.29 3bm1 h ALA 121 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bm1 h ALA 121 Cb 1.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3bm1 h ALA 121 CO 0.10 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.71 3bm1 h ALA 122 N 1.64 0.10 -0.82 0.00 0.00 -1.24 -2.83 119.26 116.12 3bm1 h ALA 122 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3bm1 h ALA 122 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3bm1 h ALA 122 CO -0.03 -0.24 0.37 0.28 0.00 0.00 0.00 179.25 179.64 3bm1 h VAL 123 N -0.13 1.26 0.00 0.00 2.07 -0.87 -0.17 116.25 118.41 3bm1 h VAL 123 Ca 0.02 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3bm1 h VAL 123 Cb 0.31 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3bm1 h VAL 123 CO 0.00 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.91 3bm1 h ALA 124 N 1.23 1.00 -0.42 1.67 0.00 -0.34 -1.22 119.26 121.19 3bm1 h ALA 124 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3bm1 h ALA 124 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bm1 h ALA 124 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26 3bm1 n GLN 125 N -2.90 3.26 -0.85 0.00 6.02 -0.67 -4.31 117.38 117.94 3bm1 n GLN 125 Ca -0.02 -2.64 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 3bm1 n GLN 125 Cb 0.08 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.63 3bm1 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bm1 n GLY 126 N 0.35 0.61 3.16 1.08 0.00 -0.46 -5.05 105.19 104.89 3bm1 n GLY 126 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3bm1 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bm1 n PHE 127 N -2.76 -1.98 -4.27 1.61 3.72 -0.16 -4.75 117.46 108.87 3bm1 n PHE 127 Ca 0.00 -1.77 -0.15 0.00 -0.05 0.00 0.00 57.45 55.48 3bm1 n PHE 127 Cb 0.00 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.01 3bm1 n PHE 127 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3bm1 s GLY 128 N -4.03 1.16 0.01 1.37 0.00 0.55 -3.62 107.32 102.76 3bm1 s GLY 128 Ca 0.43 -1.54 -0.28 0.00 0.00 0.00 0.00 44.72 43.33 3bm1 s GLY 128 CO 0.27 -1.62 0.76 -0.32 0.00 0.00 0.00 173.10 172.20 3bm1 s GLY 129 N -3.20 -0.51 -0.06 0.20 0.00 -1.26 -2.05 107.32 100.44 3bm1 s GLY 129 Ca 0.19 1.09 -0.03 0.00 0.00 0.00 0.00 44.72 45.97 3bm1 s GLY 129 CO 0.02 0.55 0.13 -1.50 0.00 0.00 0.00 173.10 172.30 3bm1 s ILE 130 N -2.51 -0.08 -0.36 0.90 2.07 -0.41 -1.74 121.20 119.07 3bm1 s ILE 130 Ca -0.01 0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 59.16 3bm1 s ILE 130 Cb -0.01 -0.23 0.02 0.00 0.13 0.00 0.00 42.46 42.37 3bm1 s ILE 130 CO -0.04 0.09 1.14 0.86 -1.91 0.00 0.00 174.94 175.08 3bm1 s TRP 131 N 1.36 2.97 0.32 3.50 -0.11 -1.26 -1.64 118.94 124.07 3bm1 s TRP 131 Ca -0.07 1.01 0.10 0.00 1.22 0.00 0.00 56.10 58.36 3bm1 s TRP 131 Cb -0.12 -3.93 -0.05 0.00 -1.50 0.00 0.00 33.47 27.87 3bm1 s TRP 131 CO -0.05 -1.08 -0.06 1.03 -4.62 0.00 0.00 176.95 172.16 3bm1 s ARG 132 N 3.97 1.97 0.00 5.86 0.52 -0.56 -4.95 118.95 125.74 3bm1 s ARG 132 Ca 0.48 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 3bm1 s ARG 132 Cb -0.12 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3bm1 s ARG 132 CO 0.21 0.22 0.00 -1.13 0.02 0.00 0.00 175.30 174.62 3bm1 n SER 133 N -0.83 0.00 0.00 0.23 3.41 -1.26 -0.00 113.62 115.16 3bm1 n SER 133 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3bm1 n SER 133 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3bm1 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bm1 n GLY 134 N 0.00 -1.00 0.30 5.00 0.00 -1.26 -4.42 105.19 103.81 3bm1 n GLY 134 Ca 0.00 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.54 3bm1 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bm1 h ALA 135 N 0.00 1.36 0.00 4.61 0.00 -2.03 -2.77 119.26 120.44 3bm1 h ALA 135 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bm1 h ALA 135 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bm1 h ALA 135 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3bm1 n LEU 136 N -3.62 0.00 0.29 0.00 4.77 -1.26 -2.10 117.00 115.08 3bm1 n LEU 136 Ca -0.03 0.43 0.19 0.00 -0.03 0.00 0.00 56.01 56.57 3bm1 n LEU 136 Cb 0.10 -0.43 0.82 0.00 -2.33 0.00 0.00 43.42 41.57 3bm1 n LEU 136 CO 0.26 -0.20 1.04 0.71 -1.33 0.00 0.00 177.39 177.87 3bm1 h THR 137 N 0.00 0.00 -0.00 -5.08 1.35 -1.70 -2.19 112.91 105.29 3bm1 h THR 137 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3bm1 h THR 137 Cb 0.23 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3bm1 h THR 137 CO 0.00 0.00 -0.82 -0.62 -0.25 0.00 0.00 175.52 173.83 3bm1 n GLU 138 N -3.09 0.21 -1.74 4.72 -0.58 -0.89 -4.42 120.64 114.85 3bm1 n GLU 138 Ca -0.00 -0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.15 3bm1 n GLU 138 Cb 0.25 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 3bm1 n GLU 138 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3bm1 s SER 139 N -2.91 6.43 0.21 1.62 0.15 -0.83 -4.89 113.70 113.49 3bm1 s SER 139 Ca 0.11 2.77 -0.11 0.00 0.70 0.00 0.00 55.95 59.42 3bm1 s SER 139 Cb 0.17 -2.57 0.28 0.00 -1.71 0.00 0.00 66.02 62.18 3bm1 s SER 139 CO 0.79 -0.99 1.70 -0.65 1.20 0.00 0.00 173.24 175.29 3bm1 h PRO 140 N 8.11 0.22 -0.32 5.44 0.11 -1.93 0.16 132.00 143.78 3bm1 h PRO 140 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3bm1 h PRO 140 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3bm1 h PRO 140 CO 0.95 0.14 -0.27 -0.39 -0.21 0.00 0.00 178.00 178.22 3bm1 h VAL 141 N 0.22 1.28 -0.15 3.15 -1.51 -1.94 0.20 116.25 117.50 3bm1 h VAL 141 Ca 0.30 -1.37 -0.05 0.00 -1.23 0.00 0.00 66.70 64.35 3bm1 h VAL 141 Cb 0.46 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3bm1 h VAL 141 CO -0.41 0.45 -0.11 0.58 -1.23 0.00 0.00 177.57 176.84 3bm1 h VAL 142 N 0.57 1.34 -0.48 7.19 2.07 -1.68 -0.94 116.25 124.32 3bm1 h VAL 142 Ca 0.07 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3bm1 h VAL 142 Cb 0.76 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3bm1 h VAL 142 CO 0.06 0.36 0.28 0.03 0.02 0.00 0.00 177.57 178.32 3bm1 h ARG 143 N -0.02 0.54 -0.82 1.57 3.08 -0.57 -1.68 114.38 116.47 3bm1 h ARG 143 Ca 0.03 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3bm1 h ARG 143 Cb 0.62 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 3bm1 h ARG 143 CO 0.03 0.36 0.54 1.49 -1.07 0.00 0.00 179.97 181.32 3bm1 h GLU 144 N 0.55 0.96 0.00 0.04 4.81 -0.49 -1.38 114.58 119.07 3bm1 h GLU 144 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3bm1 h GLU 144 Cb 0.03 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3bm1 h GLU 144 CO -0.10 0.64 -0.19 0.00 -0.73 0.00 0.00 179.01 178.63 3bm1 h ALA 145 N 1.53 1.41 -0.61 2.92 0.00 -0.24 -2.74 119.26 121.53 3bm1 h ALA 145 Ca 0.34 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 3bm1 h ALA 145 Cb 0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 3bm1 h ALA 145 CO -0.10 0.24 0.22 1.19 0.00 0.00 0.00 179.25 180.79 3bm1 n PHE 146 N -3.92 1.90 -2.30 0.00 3.72 -0.69 -4.95 117.46 111.23 3bm1 n PHE 146 Ca -0.02 -1.60 -0.15 0.00 -0.05 0.00 0.00 57.45 55.62 3bm1 n PHE 146 Cb 0.28 -0.66 -0.01 0.00 -0.94 0.00 0.00 39.48 38.15 3bm1 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bm1 n GLY 147 N -1.00 -0.26 3.72 1.37 0.00 -1.03 -4.93 105.19 103.07 3bm1 n GLY 147 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 3bm1 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bm1 s ARG 149 N 0.60 1.93 0.30 0.00 0.52 -1.26 -4.73 118.95 116.31 3bm1 s ARG 149 Ca 0.62 -1.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 3bm1 s ARG 149 Cb -0.37 -2.45 0.61 0.00 0.52 0.00 0.00 34.95 33.25 3bm1 s ARG 149 CO 0.34 -1.21 1.86 1.49 0.02 0.00 0.00 175.30 177.79 3bm1 h GLU 150 N -0.25 0.91 -0.01 3.54 4.81 -2.01 -1.92 114.58 119.65 3bm1 h GLU 150 Ca -0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3bm1 h GLU 150 Cb 1.27 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3bm1 h GLU 150 CO 0.40 0.60 -0.05 0.00 -0.73 0.00 0.00 179.01 179.23 3bm1 n GLN 151 N -4.58 1.53 -2.74 1.92 0.00 -1.26 -4.91 117.38 107.33 3bm1 n GLN 151 Ca 0.18 -0.91 -0.28 0.00 0.00 0.00 0.00 57.00 55.99 3bm1 n GLN 151 Cb 0.35 -1.48 -0.01 0.00 0.00 0.00 0.00 30.24 29.10 3bm1 n GLN 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3bm1 s ASP 152 N -2.10 6.32 -0.11 2.61 1.01 -0.72 -4.26 116.67 119.41 3bm1 s ASP 152 Ca 0.35 0.93 -0.07 0.00 0.71 0.00 0.00 52.55 54.47 3bm1 s ASP 152 Cb 0.21 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.93 3bm1 s ASP 152 CO 0.37 -0.51 0.27 -0.75 0.21 0.00 0.00 175.17 174.76 3bm1 s LYS 153 N -4.50 0.26 -0.40 8.23 2.20 -0.79 -4.70 119.74 120.03 3bm1 s LYS 153 Ca 0.48 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 3bm1 s LYS 153 Cb -0.10 -0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 3bm1 s LYS 153 CO 0.41 -0.12 1.08 0.42 -0.36 0.00 0.00 175.35 176.79 3bm1 s ILE 154 N 0.89 4.37 -0.70 5.43 1.01 -1.26 -0.13 121.20 130.81 3bm1 s ILE 154 Ca -0.06 1.41 0.24 0.00 0.00 0.00 0.00 60.65 62.24 3bm1 s ILE 154 Cb -0.07 -4.50 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 3bm1 s ILE 154 CO -0.06 -0.75 1.25 1.33 0.00 0.00 0.00 174.94 176.72 3bm1 n VAL 155 N 6.36 0.23 0.00 2.92 0.24 -0.60 -4.91 118.33 122.57 3bm1 n VAL 155 Ca 0.11 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3bm1 n VAL 155 Cb 0.48 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3bm1 n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bm1 n GLY 156 N 1.38 1.91 3.17 7.63 0.00 -1.24 -4.92 105.19 113.11 3bm1 n GLY 156 Ca 0.03 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3bm1 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bm1 s PHE 157 N -2.00 3.48 -0.47 1.61 0.08 1.00 -1.83 117.98 119.84 3bm1 s PHE 157 Ca 0.00 -2.11 -0.23 0.00 0.12 0.00 0.00 56.93 54.71 3bm1 s PHE 157 Cb 0.00 -3.04 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3bm1 s PHE 157 CO 0.00 -0.93 0.82 -1.17 -0.10 0.00 0.00 175.22 173.85 3bm1 s LEU 158 N 1.24 4.23 -0.15 -0.37 2.96 -0.23 -1.50 118.68 124.85 3bm1 s LEU 158 Ca 0.05 -0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 53.54 3bm1 s LEU 158 Cb -0.23 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 3bm1 s LEU 158 CO -0.02 -0.99 0.85 -0.31 -1.32 0.00 0.00 176.35 174.56 3bm1 s TYR 159 N 3.43 3.44 0.16 5.38 2.02 -0.65 -1.16 117.35 129.97 3bm1 s TYR 159 Ca 0.30 1.31 0.06 0.00 -0.37 0.00 0.00 57.07 58.37 3bm1 s TYR 159 Cb -0.12 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 3bm1 s TYR 159 CO 0.22 -0.22 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.34 3bm1 s LEU 160 N 2.07 2.49 0.00 -1.29 1.43 0.88 -1.29 118.68 122.97 3bm1 s LEU 160 Ca 0.40 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3bm1 s LEU 160 Cb -0.17 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.52 3bm1 s LEU 160 CO 0.13 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3bm1 n GLY 161 N 0.03 -0.48 3.61 -3.19 0.00 -0.87 -2.48 105.19 101.80 3bm1 n GLY 161 Ca -0.12 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 3bm1 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bm1 s THR 162 N -2.99 5.07 0.93 2.61 2.01 0.17 -0.33 115.64 123.11 3bm1 s THR 162 Ca 0.00 0.77 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 3bm1 s THR 162 Cb 0.00 -3.84 0.15 0.00 0.01 0.00 0.00 72.50 68.82 3bm1 s THR 162 CO 0.00 0.04 1.09 -2.16 -0.69 0.00 0.00 174.62 172.91 3bm1 s PRO 163 N 2.31 0.98 0.00 4.92 0.04 -1.26 -0.25 135.00 141.73 3bm1 s PRO 163 Ca 0.20 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3bm1 s PRO 163 Cb -0.16 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3bm1 s PRO 163 CO 0.10 -2.40 0.00 1.04 0.04 0.00 0.00 177.00 175.78 3bm1 n GLN 164 N -3.97 3.41 -1.46 4.56 1.13 -1.26 -4.85 117.38 114.94 3bm1 n GLN 164 Ca 0.06 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.30 3bm1 n GLN 164 Cb 0.56 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.81 3bm1 n GLN 164 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3bm1 n LEU 165 N 0.00 -1.05 0.00 1.08 4.32 -1.26 -5.15 117.00 114.94 3bm1 n LEU 165 Ca 0.00 2.46 0.00 0.00 -0.02 0.00 0.00 56.01 58.45 3bm1 n LEU 165 Cb 0.00 -3.09 0.00 0.00 -1.62 0.00 0.00 43.42 38.71 3bm1 n LEU 165 CO 0.00 -2.16 0.01 0.29 -1.22 0.00 0.00 177.39 174.30 3bm1 n LYS 166 N -4.37 0.00 -4.88 3.23 4.01 -1.26 -5.29 118.16 109.61 3bm1 n LYS 166 Ca -0.10 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.38 3bm1 n LYS 166 Cb 0.69 -0.20 -0.16 0.00 -0.51 0.00 0.00 35.03 34.86 3bm1 n LYS 166 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3bm1 s VAL 173 N -0.02 2.53 0.56 -0.18 1.01 -1.26 -5.23 120.40 117.80 3bm1 s VAL 173 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 3bm1 s VAL 173 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3bm1 s VAL 173 CO 0.00 0.54 0.96 -2.16 0.00 0.00 0.00 175.10 174.44 3bm1 s PRO 174 N 0.48 3.68 -0.37 2.72 0.04 -1.26 -5.06 135.00 135.23 3bm1 s PRO 174 Ca -0.12 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 3bm1 s PRO 174 Cb -0.17 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.30 3bm1 s PRO 174 CO 0.05 -0.41 0.13 0.34 0.04 0.00 0.00 177.00 177.15 3bm1 s ASP 175 N -3.86 5.14 0.00 6.66 2.15 -1.26 -4.98 116.67 120.52 3bm1 s ASP 175 Ca 0.54 -1.74 0.31 0.00 0.43 0.00 0.00 52.55 52.09 3bm1 s ASP 175 Cb -0.11 -1.79 1.63 0.00 -0.30 0.00 0.00 42.92 42.35 3bm1 s ASP 175 CO 0.46 -0.44 2.08 -0.81 -0.17 0.00 0.00 175.17 176.29 3bm1 n PRO 176 N 4.61 1.00 -0.20 4.34 -0.04 -1.26 -4.46 135.00 138.99 3bm1 n PRO 176 Ca -0.06 -0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.15 3bm1 n PRO 176 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3bm1 n PRO 176 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3bm1 h THR 177 N 0.47 0.16 0.00 0.52 2.02 -1.93 0.23 112.91 114.38 3bm1 h THR 177 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3bm1 h THR 177 Cb 0.17 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3bm1 h THR 177 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 3bm1 n PRO 178 N -5.43 0.01 -0.13 6.66 -0.04 -1.26 -2.28 135.00 132.53 3bm1 n PRO 178 Ca 0.04 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 3bm1 n PRO 178 Cb 0.35 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.46 3bm1 n PRO 178 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bm1 n PHE 179 N -1.49 0.33 -4.60 0.54 3.72 0.78 -4.97 117.46 111.78 3bm1 n PHE 179 Ca 0.02 -0.26 -0.33 0.00 -0.05 0.00 0.00 57.45 56.84 3bm1 n PHE 179 Cb 0.09 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.46 3bm1 n PHE 179 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3bm1 s VAL 180 N -1.14 2.18 -0.11 -4.37 1.01 -0.94 -5.10 120.40 111.92 3bm1 s VAL 180 Ca 0.25 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3bm1 s VAL 180 Cb 0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3bm1 s VAL 180 CO 0.21 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.86 3bm1 s THR 181 N 0.85 3.40 -0.51 3.92 2.01 -1.26 -4.98 115.64 119.08 3bm1 s THR 181 Ca -0.06 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 3bm1 s THR 181 Cb -0.15 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 70.00 3bm1 s THR 181 CO -0.02 0.54 0.59 -0.31 -0.69 0.00 0.00 174.62 174.72 3bm1 s TYR 182 N -0.02 3.08 -1.81 4.92 2.02 -1.26 -5.28 117.35 119.01 3bm1 s TYR 182 Ca -0.02 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3bm1 s TYR 182 Cb -0.14 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 3bm1 s TYR 182 CO 0.03 -1.02 0.45 0.34 -1.57 0.00 0.00 175.55 173.79