#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a15 s GLN 6 N 0.00 3.87 0.63 -0.78 -0.21 -1.26 -5.03 119.66 116.88 2a15 s GLN 6 Ca 0.00 1.35 -0.14 0.00 0.02 0.00 0.00 55.36 56.59 2a15 s GLN 6 Cb 0.00 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.86 2a15 s GLN 6 CO 0.00 -0.37 1.05 -1.54 -2.12 0.00 0.00 175.29 172.32 2a15 s SER 7 N -1.97 5.65 0.31 5.90 1.04 -1.26 -4.83 113.70 118.54 2a15 s SER 7 Ca 0.66 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.83 2a15 s SER 7 Cb -0.16 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 64.02 2a15 s SER 7 CO 0.20 -1.25 1.92 -0.65 0.98 0.00 0.00 173.24 174.43 2a15 h PRO 8 N -0.02 0.94 -0.70 4.02 0.11 -1.96 0.16 132.00 134.55 2a15 h PRO 8 Ca -0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2a15 h PRO 8 Cb 1.21 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2a15 h PRO 8 CO 0.57 0.62 0.20 0.00 -0.21 0.00 0.00 178.00 179.19 2a15 h ALA 9 N 1.53 0.93 -0.26 -0.75 0.00 -1.56 -1.41 119.26 117.74 2a15 h ALA 9 Ca 0.38 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2a15 h ALA 9 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2a15 h ALA 9 CO -0.14 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.78 2a15 h LEU 10 N 1.05 0.62 -0.33 0.00 5.85 -1.66 -0.75 115.31 120.09 2a15 h LEU 10 Ca 0.22 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2a15 h LEU 10 Cb 0.33 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2a15 h LEU 10 CO -0.00 0.94 0.04 0.40 -0.34 0.00 0.00 178.44 179.47 2a15 h ILE 11 N 0.31 0.81 -0.31 4.05 2.04 -0.90 -0.21 117.51 123.30 2a15 h ILE 11 Ca 0.05 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2a15 h ILE 11 Cb 0.74 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2a15 h ILE 11 CO 0.05 0.03 0.08 0.00 0.00 0.00 0.00 178.15 178.31 2a15 h ALA 12 N 1.26 0.41 -0.20 1.87 0.00 -1.20 0.17 119.26 121.58 2a15 h ALA 12 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2a15 h ALA 12 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a15 h ALA 12 CO -0.23 0.07 -0.12 0.66 0.00 0.00 0.00 179.25 179.63 2a15 h SER 13 N 0.35 0.44 -0.89 0.00 4.64 -0.95 -0.38 113.55 116.77 2a15 h SER 13 Ca 0.10 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2a15 h SER 13 Cb 0.28 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2a15 h SER 13 CO -0.00 0.78 0.51 1.56 -0.87 0.00 0.00 176.83 178.81 2a15 h GLN 14 N 0.11 1.23 -0.71 4.77 4.20 -1.00 -2.33 115.11 121.37 2a15 h GLN 14 Ca 0.04 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2a15 h GLN 14 Cb 0.62 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2a15 h GLN 14 CO 0.03 0.88 0.31 0.77 -0.67 0.00 0.00 178.83 180.15 2a15 h SER 15 N 1.24 0.95 -0.85 1.46 0.02 -0.50 -1.89 113.55 113.98 2a15 h SER 15 Ca 0.32 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2a15 h SER 15 Cb -0.00 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2a15 h SER 15 CO -0.05 0.83 0.54 0.77 -1.14 0.00 0.00 176.83 177.77 2a15 h SER 16 N 1.03 1.00 0.14 3.07 4.64 -0.52 -0.05 113.55 122.85 2a15 h SER 16 Ca 0.24 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 2a15 h SER 16 Cb 0.16 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2a15 h SER 16 CO -0.02 0.75 -0.69 -0.50 -0.87 0.00 0.00 176.83 175.50 2a15 h TRP 17 N 1.16 0.66 -0.62 4.77 6.55 -1.22 -1.77 115.95 125.47 2a15 h TRP 17 Ca 0.31 -0.28 0.03 0.00 0.95 0.00 0.00 58.89 59.91 2a15 h TRP 17 Cb -0.08 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.06 2a15 h TRP 17 CO -0.01 1.03 0.37 0.00 -1.05 0.00 0.00 178.44 178.79 2a15 h ARG 18 N 0.35 0.70 -0.38 0.49 3.08 -0.94 0.66 114.38 118.34 2a15 h ARG 18 Ca -0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2a15 h ARG 18 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2a15 h ARG 18 CO 0.12 0.46 -0.21 0.00 -1.07 0.00 0.00 179.97 179.28 2a15 h VAL 20 N 0.65 0.96 -0.16 0.00 2.07 -0.79 -0.52 116.25 118.47 2a15 h VAL 20 Ca 0.09 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2a15 h VAL 20 Cb 0.70 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2a15 h VAL 20 CO 0.05 0.02 -0.27 -0.61 0.02 0.00 0.00 177.57 176.78 2a15 h GLN 21 N 0.10 0.30 -0.00 1.57 -0.00 -0.51 -1.74 115.11 114.82 2a15 h GLN 21 Ca 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2a15 h GLN 21 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.49 2a15 h GLN 21 CO -0.06 0.55 -0.00 0.00 0.00 0.00 0.00 178.83 179.32 2a15 n ALA 22 N -2.48 2.67 -3.70 3.38 0.00 0.04 -4.92 120.51 115.50 2a15 n ALA 22 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 2a15 n ALA 22 Cb 0.39 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.42 2a15 n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2a15 n HIS 23 N -0.84 -2.16 -3.89 0.00 8.25 -0.66 -4.94 115.22 110.99 2a15 n HIS 23 Ca 0.23 0.89 -0.32 0.00 -0.26 0.00 0.00 57.72 58.26 2a15 n HIS 23 Cb 0.16 -4.48 -0.13 0.00 1.12 0.00 0.00 29.99 26.66 2a15 n HIS 23 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2a15 s ASP 24 N -4.00 4.56 0.10 0.41 2.15 -0.27 -4.94 116.67 114.66 2a15 s ASP 24 Ca 0.22 -3.00 -0.18 0.00 0.43 0.00 0.00 52.55 50.02 2a15 s ASP 24 Cb -0.11 -1.70 -0.07 0.00 -0.30 0.00 0.00 42.92 40.75 2a15 s ASP 24 CO 0.79 -0.26 1.57 -0.09 -0.17 0.00 0.00 175.17 177.02 2a15 h ARG 25 N 6.60 0.45 -0.61 4.34 2.43 -1.92 -0.55 114.38 125.12 2a15 h ARG 25 Ca -0.06 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2a15 h ARG 25 Cb 0.90 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 2a15 h ARG 25 CO 0.70 0.56 0.38 0.93 -1.51 0.00 0.00 179.97 181.03 2a15 h GLU 26 N 0.26 0.81 -0.49 0.20 5.08 -1.98 -1.03 114.58 117.44 2a15 h GLU 26 Ca 0.08 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2a15 h GLU 26 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2a15 h GLU 26 CO 0.00 0.56 -0.19 0.78 -1.00 0.00 0.00 179.01 179.17 2a15 h GLY 27 N 0.82 1.05 0.90 -3.84 0.00 -1.93 -1.64 103.07 98.44 2a15 h GLY 27 Ca 0.22 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 2a15 h GLY 27 CO -0.04 0.82 0.04 -0.25 0.00 0.00 0.00 176.54 177.11 2a15 h TRP 28 N 0.85 0.11 -0.43 5.60 7.01 -0.79 -2.90 115.95 125.39 2a15 h TRP 28 Ca 0.12 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 2a15 h TRP 28 Cb 0.75 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 2a15 h TRP 28 CO 0.05 0.18 0.26 -0.07 -2.79 0.00 0.00 178.44 176.07 2a15 h LEU 29 N 0.01 0.51 -1.79 0.65 3.38 -1.04 -2.16 115.31 114.86 2a15 h LEU 29 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2a15 h LEU 29 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2a15 h LEU 29 CO -0.00 0.39 -0.04 0.00 0.09 0.00 0.00 178.44 178.88 2a15 h ALA 30 N 1.70 1.04 0.00 1.53 0.00 -1.10 -1.39 119.26 121.04 2a15 h ALA 30 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2a15 h ALA 30 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a15 h ALA 30 CO -0.03 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2a15 n LEU 31 N -3.19 0.56 -4.83 0.00 4.77 -0.81 -4.87 117.00 108.63 2a15 n LEU 31 Ca -0.00 0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 56.20 2a15 n LEU 31 Cb 0.26 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2a15 n LEU 31 CO 0.27 -0.32 -0.09 -0.04 -1.33 0.00 0.00 177.39 175.88 2a15 s MET 32 N -3.16 3.76 0.76 3.23 -1.94 -0.52 -0.19 119.30 121.24 2a15 s MET 32 Ca 0.08 0.00 -0.13 0.00 -1.71 0.00 0.00 55.69 53.93 2a15 s MET 32 Cb 0.12 -3.26 0.05 0.00 2.01 0.00 0.00 34.83 33.75 2a15 s MET 32 CO 0.47 0.62 1.16 0.00 -0.01 0.00 0.00 175.02 177.25 2a15 s ALA 33 N -0.63 2.08 0.53 3.03 0.00 0.06 -4.76 121.76 122.07 2a15 s ALA 33 Ca 0.16 0.66 0.21 0.00 0.00 0.00 0.00 51.96 52.99 2a15 s ALA 33 Cb -0.13 -3.40 1.42 0.00 0.00 0.00 0.00 23.12 21.01 2a15 s ALA 33 CO 0.05 -1.91 2.16 -0.44 0.00 0.00 0.00 175.76 175.62 2a15 h ASP 34 N -0.67 0.00 -0.72 0.00 3.32 -1.97 -2.28 116.42 114.11 2a15 h ASP 34 Ca -0.46 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.33 2a15 h ASP 34 Cb 1.27 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.66 2a15 h ASP 34 CO 0.49 0.03 0.30 -0.90 -1.72 0.00 0.00 179.24 177.44 2a15 n ASP 35 N -4.26 4.32 -4.66 6.45 5.75 -1.26 -4.15 116.55 118.74 2a15 n ASP 35 Ca -0.03 -3.35 -0.42 0.00 -0.01 0.00 0.00 54.79 50.98 2a15 n ASP 35 Cb 0.11 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 2a15 n ASP 35 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2a15 n VAL 36 N -0.48 2.26 -3.99 2.12 3.14 -0.86 -4.72 118.33 115.80 2a15 n VAL 36 Ca 0.43 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 61.04 2a15 n VAL 36 Cb 1.38 -1.40 -0.17 0.00 -1.06 0.00 0.00 33.84 32.60 2a15 n VAL 36 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2a15 s VAL 37 N -1.16 1.12 -0.27 1.55 1.01 -0.66 -1.25 120.40 120.75 2a15 s VAL 37 Ca 0.59 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 2a15 s VAL 37 Cb -0.57 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2a15 s VAL 37 CO 0.60 0.38 0.11 -0.63 0.00 0.00 0.00 175.10 175.55 2a15 s ILE 38 N 1.58 4.52 -0.76 2.22 -1.09 -0.08 -2.61 121.20 124.98 2a15 s ILE 38 Ca 0.03 -0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 2a15 s ILE 38 Cb -0.13 -3.17 0.18 0.00 -1.58 0.00 0.00 42.46 37.77 2a15 s ILE 38 CO -0.07 0.26 0.58 -1.61 -1.23 0.00 0.00 174.94 172.86 2a15 s GLU 39 N 1.64 2.72 -0.49 2.79 2.02 0.68 -0.75 118.70 127.31 2a15 s GLU 39 Ca 0.06 -3.27 0.04 0.00 0.02 0.00 0.00 54.97 51.81 2a15 s GLU 39 Cb -0.16 -3.61 0.13 0.00 0.10 0.00 0.00 34.13 30.59 2a15 s GLU 39 CO 0.05 -1.27 0.23 0.34 0.02 0.00 0.00 175.26 174.63 2a15 s ASP 40 N -0.91 4.31 0.76 -0.19 2.15 -1.26 0.15 116.67 121.69 2a15 s ASP 40 Ca 0.25 -2.86 -0.04 0.00 0.43 0.00 0.00 52.55 50.33 2a15 s ASP 40 Cb -0.07 -1.58 0.13 0.00 -0.30 0.00 0.00 42.92 41.11 2a15 s ASP 40 CO -0.14 -0.26 1.06 -2.16 -0.17 0.00 0.00 175.17 173.50 2a15 s PRO 41 N -0.06 1.53 0.20 4.34 0.04 -1.26 -4.26 135.00 135.53 2a15 s PRO 41 Ca 0.16 -0.90 -0.30 0.00 0.04 0.00 0.00 61.00 60.00 2a15 s PRO 41 Cb -0.25 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 2a15 s PRO 41 CO -0.01 -1.61 1.35 0.42 0.04 0.00 0.00 177.00 177.19 2a15 s ILE 42 N -3.29 3.07 0.00 0.56 1.01 0.34 -4.76 121.20 118.13 2a15 s ILE 42 Ca 0.67 0.87 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2a15 s ILE 42 Cb -0.05 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2a15 s ILE 42 CO 0.46 0.13 0.00 0.61 0.00 0.00 0.00 174.94 176.14 2a15 n GLY 43 N 2.42 -0.06 3.72 6.18 0.00 -1.26 -4.87 105.19 111.32 2a15 n GLY 43 Ca 0.07 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2a15 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a15 s LYS 44 N -1.85 4.47 0.26 1.61 2.20 -1.26 -4.56 119.74 120.62 2a15 s LYS 44 Ca 0.00 1.77 -0.20 0.00 -0.36 0.00 0.00 55.97 57.17 2a15 s LYS 44 Cb 0.00 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2a15 s LYS 44 CO 0.00 -0.17 0.89 0.45 -0.36 0.00 0.00 175.35 176.16 2a15 s SER 45 N 0.71 -0.07 0.26 1.43 0.15 -0.90 -4.96 113.70 110.33 2a15 s SER 45 Ca 0.56 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 2a15 s SER 45 Cb -0.30 0.66 0.48 0.00 -1.71 0.00 0.00 66.02 65.15 2a15 s SER 45 CO 0.31 -1.28 1.82 0.58 1.20 0.00 0.00 173.24 175.87 2a15 h VAL 46 N 2.00 0.90 -0.21 4.45 2.07 -1.94 -1.10 116.25 122.42 2a15 h VAL 46 Ca -0.27 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2a15 h VAL 46 Cb 1.24 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2a15 h VAL 46 CO 0.33 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.43 2a15 n THR 47 N -4.70 0.27 -3.04 2.57 -2.24 -1.26 -4.16 114.28 101.72 2a15 n THR 47 Ca 0.16 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 2a15 n THR 47 Cb 0.32 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 2a15 n THR 47 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a15 n ASN 48 N 0.55 -0.55 0.26 3.42 2.85 -0.47 -4.60 115.26 116.72 2a15 n ASN 48 Ca 0.17 -3.06 0.09 0.00 -0.11 0.00 0.00 54.58 51.67 2a15 n ASN 48 Cb 0.38 0.20 0.66 0.00 1.24 0.00 0.00 39.78 42.25 2a15 n ASN 48 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2a15 h PRO 49 N 3.53 0.00 -0.02 1.20 0.13 -1.57 -0.83 132.00 134.44 2a15 h PRO 49 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2a15 h PRO 49 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2a15 h PRO 49 CO 0.40 0.07 -0.26 -0.40 -0.23 0.00 0.00 178.00 177.58 2a15 n ASP 50 N -4.26 2.18 0.00 1.44 5.68 -1.26 -4.66 116.55 115.67 2a15 n ASP 50 Ca -0.03 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2a15 n ASP 50 Cb 0.15 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2a15 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a15 n GLY 51 N 1.37 1.00 0.41 6.12 0.00 -0.37 -4.86 105.19 108.86 2a15 n GLY 51 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2a15 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a15 n SER 52 N 0.00 2.62 0.00 1.61 3.41 -1.26 -4.03 113.62 115.97 2a15 n SER 52 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2a15 n SER 52 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2a15 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a15 n GLY 53 N 0.07 0.57 3.58 5.00 0.00 -1.26 -4.95 105.19 108.20 2a15 n GLY 53 Ca 0.08 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2a15 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a15 s ILE 54 N -2.76 5.07 -0.13 -0.61 -1.09 0.07 -4.90 121.20 116.86 2a15 s ILE 54 Ca 0.00 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 2a15 s ILE 54 Cb 0.00 -3.38 -0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2a15 s ILE 54 CO 0.00 0.31 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.30 2a15 s LYS 55 N 1.41 3.17 0.00 2.79 1.02 -1.26 -0.90 119.74 125.97 2a15 s LYS 55 Ca 0.07 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2a15 s LYS 55 Cb -0.15 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2a15 s LYS 55 CO 0.07 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2a15 n GLY 56 N 3.79 -0.85 0.21 -3.33 0.00 -0.38 -4.42 105.19 100.21 2a15 n GLY 56 Ca -0.19 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.28 2a15 n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a15 h LYS 57 N 0.00 0.03 0.12 1.61 1.57 -1.83 -1.15 116.57 116.92 2a15 h LYS 57 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2a15 h LYS 57 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2a15 h LYS 57 CO 0.00 0.31 -0.06 1.49 -0.57 0.00 0.00 179.45 180.62 2a15 h GLU 58 N 0.03 -0.16 -0.22 3.15 4.81 -1.96 -0.35 114.58 119.88 2a15 h GLU 58 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2a15 h GLU 58 Cb 0.51 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2a15 h GLU 58 CO 0.04 0.14 -0.31 0.00 -0.73 0.00 0.00 179.01 178.15 2a15 h ALA 59 N 0.37 1.07 0.00 2.92 0.00 -1.75 -1.94 119.26 119.93 2a15 h ALA 59 Ca -0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2a15 h ALA 59 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a15 h ALA 59 CO 0.03 0.58 -0.38 0.28 0.00 0.00 0.00 179.25 179.75 2a15 h VAL 60 N 0.39 0.91 -0.35 0.00 2.07 -1.17 -0.92 116.25 117.17 2a15 h VAL 60 Ca 0.05 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2a15 h VAL 60 Cb 0.73 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2a15 h VAL 60 CO 0.06 0.37 0.10 1.23 0.02 0.00 0.00 177.57 179.35 2a15 h GLY 61 N 2.03 0.60 1.11 2.17 0.00 -0.33 -1.05 103.07 107.60 2a15 h GLY 61 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2a15 h GLY 61 CO 0.05 0.34 0.43 0.00 0.00 0.00 0.00 176.54 177.36 2a15 h ALA 62 N 0.94 1.21 -0.42 3.60 0.00 -1.11 -1.41 119.26 122.07 2a15 h ALA 62 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2a15 h ALA 62 Cb 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2a15 h ALA 62 CO -0.00 0.63 0.25 0.35 0.00 0.00 0.00 179.25 180.48 2a15 h PHE 63 N 1.16 0.47 -0.39 0.00 3.57 -0.98 -1.66 116.94 119.11 2a15 h PHE 63 Ca 0.29 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2a15 h PHE 63 Cb 0.06 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2a15 h PHE 63 CO 0.01 0.28 0.09 0.35 -2.23 0.00 0.00 178.31 176.81 2a15 h PHE 64 N 0.51 0.15 -0.26 0.41 3.57 -0.64 0.11 116.94 120.80 2a15 h PHE 64 Ca 0.17 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2a15 h PHE 64 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2a15 h PHE 64 CO -0.07 0.03 0.10 -0.44 -2.23 0.00 0.00 178.31 175.70 2a15 h ASP 65 N 0.22 0.12 0.09 0.41 3.32 -0.74 0.14 116.42 119.98 2a15 h ASP 65 Ca 0.19 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.00 2a15 h ASP 65 Cb 0.21 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2a15 h ASP 65 CO -0.23 0.10 -1.36 0.74 -1.72 0.00 0.00 179.24 176.76 2a15 h THR 66 N 0.22 1.02 -0.22 0.35 2.02 -1.20 -0.02 112.91 115.08 2a15 h THR 66 Ca 0.11 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2a15 h THR 66 Cb 0.07 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2a15 h THR 66 CO -0.11 0.66 0.00 1.41 0.37 0.00 0.00 175.52 177.85 2a15 n HIS 67 N -4.00 0.27 0.02 3.16 8.25 0.37 -3.63 115.22 119.66 2a15 n HIS 67 Ca -0.26 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2a15 n HIS 67 Cb 0.86 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2a15 n HIS 67 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2a15 n ILE 68 N 1.01 0.27 -0.03 1.59 5.41 -0.48 -4.79 119.36 122.35 2a15 n ILE 68 Ca 0.13 0.09 -0.01 0.00 1.00 0.00 0.00 62.75 63.96 2a15 n ILE 68 Cb 0.47 -1.33 -0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2a15 n ILE 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2a15 h ALA 69 N 0.00 -0.04 0.00 -1.39 0.00 -0.85 -1.35 119.26 115.62 2a15 h ALA 69 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2a15 h ALA 69 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2a15 h ALA 69 CO 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 2a15 h ALA 70 N -1.11 1.69 -0.52 0.00 0.00 -1.15 -1.50 119.26 116.67 2a15 h ALA 70 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a15 h ALA 70 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2a15 h ALA 70 CO 0.01 0.04 0.00 0.27 0.00 0.00 0.00 179.25 179.57 2a15 n ASN 71 N -4.14 2.82 -3.66 0.00 2.04 -1.24 -4.96 115.26 106.12 2a15 n ASN 71 Ca -0.03 -1.99 -0.27 0.00 -0.44 0.00 0.00 54.58 51.84 2a15 n ASN 71 Cb 0.12 -0.35 0.02 0.00 -2.53 0.00 0.00 39.78 37.05 2a15 n ASN 71 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2a15 n ARG 72 N 1.04 -5.07 -1.70 -3.83 1.74 -0.57 -0.35 116.66 107.93 2a15 n ARG 72 Ca 0.18 0.62 -0.44 0.00 -0.77 0.00 0.00 57.85 57.44 2a15 n ARG 72 Cb 0.45 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.38 2a15 n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2a15 n LEU 73 N -4.40 3.65 -4.52 0.55 7.94 -0.51 -4.58 117.00 115.13 2a15 n LEU 73 Ca 0.01 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.72 2a15 n LEU 73 Cb 0.54 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 2a15 n LEU 73 CO 0.66 -0.07 -0.47 0.42 -1.11 0.00 0.00 177.39 176.83 2a15 s THR 74 N 0.70 2.99 -0.09 1.96 -4.23 0.47 -4.89 115.64 112.55 2a15 s THR 74 Ca 0.73 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2a15 s THR 74 Cb -0.58 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 70.88 2a15 s THR 74 CO 0.39 0.05 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.75 2a15 s VAL 75 N -1.28 1.03 -0.13 2.29 1.01 -1.26 -1.55 120.40 120.51 2a15 s VAL 75 Ca 0.20 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2a15 s VAL 75 Cb -0.10 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2a15 s VAL 75 CO 0.12 0.36 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 2a15 s THR 76 N 1.33 2.14 -0.37 3.92 2.01 -0.38 -4.98 115.64 119.31 2a15 s THR 76 Ca -0.02 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 2a15 s THR 76 Cb -0.14 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.54 2a15 s THR 76 CO -0.04 0.55 0.97 0.00 -0.69 0.00 0.00 174.62 175.41 2a15 h GLU 78 N 8.50 0.36 -2.18 0.00 4.81 -1.07 -3.49 114.58 121.52 2a15 h GLU 78 Ca -0.23 -0.62 -0.07 0.00 -0.13 0.00 0.00 59.36 58.32 2a15 h GLU 78 Cb 1.07 0.23 -0.19 0.00 0.63 0.00 0.00 28.75 30.49 2a15 h GLU 78 CO 1.00 1.30 0.11 -2.00 -0.73 0.00 0.00 179.01 178.69 2a15 s GLU 79 N -2.52 0.98 -0.03 1.92 2.12 -1.14 -4.98 118.70 115.06 2a15 s GLU 79 Ca -0.15 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.43 2a15 s GLU 79 Cb 0.04 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 2a15 s GLU 79 CO 0.84 -0.30 -0.18 0.99 -0.54 0.00 0.00 175.26 176.08 2a15 s THR 80 N -1.16 1.45 -0.44 -1.70 2.01 -1.26 -0.54 115.64 114.00 2a15 s THR 80 Ca -0.11 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2a15 s THR 80 Cb -0.01 -1.23 0.13 0.00 0.01 0.00 0.00 72.50 71.40 2a15 s THR 80 CO 0.09 0.41 0.21 -0.36 -0.69 0.00 0.00 174.62 174.28 2a15 s PHE 81 N -0.17 2.51 0.70 4.92 0.08 0.61 -5.00 117.98 121.63 2a15 s PHE 81 Ca 0.01 -2.64 -0.16 0.00 0.12 0.00 0.00 56.93 54.26 2a15 s PHE 81 Cb -0.10 -2.27 0.01 0.00 -0.57 0.00 0.00 43.02 40.10 2a15 s PHE 81 CO 0.01 -0.80 1.12 -2.30 -0.10 0.00 0.00 175.22 173.15 2a15 n PRO 82 N 3.64 0.68 -0.03 0.24 -0.02 -1.26 -1.93 135.00 136.32 2a15 n PRO 82 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2a15 n PRO 82 Cb 0.35 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2a15 n PRO 82 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a15 n SER 83 N -1.96 0.25 -1.09 2.55 3.41 -1.22 -4.89 113.62 110.67 2a15 n SER 83 Ca 0.14 -0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 2a15 n SER 83 Cb 0.49 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.71 2a15 n SER 83 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2a15 n SER 84 N -0.08 3.20 -4.40 4.04 7.64 -1.26 -4.83 113.62 117.93 2a15 n SER 84 Ca 0.00 -1.96 -0.33 0.00 1.01 0.00 0.00 58.87 57.58 2a15 n SER 84 Cb 0.00 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 2a15 n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2a15 s SER 85 N -1.26 4.27 0.00 6.43 0.15 -1.26 -5.00 113.70 117.03 2a15 s SER 85 Ca 0.40 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.83 2a15 s SER 85 Cb 0.22 -1.67 0.27 0.00 -1.71 0.00 0.00 66.02 63.12 2a15 s SER 85 CO 0.30 0.15 1.18 -0.81 1.20 0.00 0.00 173.24 175.26 2a15 n PRO 86 N 3.65 0.01 -0.06 5.44 -0.04 -1.26 -2.75 135.00 139.99 2a15 n PRO 86 Ca -0.18 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2a15 n PRO 86 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 2a15 n PRO 86 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2a15 n ASP 87 N -1.48 2.73 -3.91 3.54 8.00 -1.26 -1.53 116.55 122.63 2a15 n ASP 87 Ca 0.02 -1.81 -0.16 0.00 0.71 0.00 0.00 54.79 53.55 2a15 n ASP 87 Cb 0.07 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 40.94 2a15 n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a15 s GLU 88 N -1.39 0.40 0.05 -1.24 2.02 -1.11 -0.86 118.70 116.57 2a15 s GLU 88 Ca 0.25 -0.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.98 2a15 s GLU 88 Cb 0.16 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.99 2a15 s GLU 88 CO 0.23 0.03 0.33 -1.50 0.02 0.00 0.00 175.26 174.37 2a15 s ILE 89 N 0.23 0.08 0.14 -1.63 2.07 -0.82 -3.38 121.20 117.89 2a15 s ILE 89 Ca -0.02 -0.63 0.07 0.00 -1.41 0.00 0.00 60.65 58.65 2a15 s ILE 89 Cb -0.06 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 2a15 s ILE 89 CO -0.00 -0.35 -0.16 0.00 -1.91 0.00 0.00 174.94 172.51 2a15 s ALA 90 N -2.64 1.72 0.02 1.50 0.00 -0.81 -0.46 121.76 121.09 2a15 s ALA 90 Ca -0.04 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 2a15 s ALA 90 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2a15 s ALA 90 CO -0.04 0.17 0.10 -1.01 0.00 0.00 0.00 175.76 174.98 2a15 s HIS 91 N -2.05 0.14 -0.28 0.00 0.09 -0.02 -0.28 115.29 112.88 2a15 s HIS 91 Ca 0.12 -0.34 -0.18 0.00 -0.00 0.00 0.00 55.06 54.66 2a15 s HIS 91 Cb -0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.58 32.40 2a15 s HIS 91 CO 0.04 -0.31 0.51 0.42 -0.00 0.00 0.00 174.74 175.41 2a15 s ILE 92 N -1.90 5.06 0.10 0.60 1.01 0.30 -0.57 121.20 125.80 2a15 s ILE 92 Ca -0.11 0.78 0.09 0.00 0.00 0.00 0.00 60.65 61.41 2a15 s ILE 92 Cb -0.05 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2a15 s ILE 92 CO -0.01 0.03 -0.20 -0.76 0.00 0.00 0.00 174.94 174.00 2a15 s LEU 93 N 2.33 2.60 -0.20 2.97 1.43 -0.54 -0.37 118.68 126.89 2a15 s LEU 93 Ca 0.21 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2a15 s LEU 93 Cb -0.16 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2a15 s LEU 93 CO 0.10 0.20 -0.04 -0.69 0.23 0.00 0.00 176.35 176.15 2a15 s VAL 94 N -1.07 3.55 -0.15 -1.59 1.01 -0.15 -1.49 120.40 120.52 2a15 s VAL 94 Ca 0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2a15 s VAL 94 Cb -0.10 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2a15 s VAL 94 CO 0.08 0.44 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 2a15 s LEU 95 N 1.10 3.45 -0.04 3.92 1.43 0.34 -1.25 118.68 127.63 2a15 s LEU 95 Ca 0.01 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2a15 s LEU 95 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2a15 s LEU 95 CO 0.00 0.22 -0.19 -1.00 0.23 0.00 0.00 176.35 175.60 2a15 s HIS 96 N 0.10 1.87 0.35 0.29 3.76 -0.59 -1.22 115.29 119.84 2a15 s HIS 96 Ca 0.01 -0.48 -0.05 0.00 -0.15 0.00 0.00 55.06 54.39 2a15 s HIS 96 Cb -0.13 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.34 2a15 s HIS 96 CO 0.02 -0.13 0.54 -1.54 -0.85 0.00 0.00 174.74 172.77 2a15 s SER 97 N -0.16 0.73 0.07 1.40 1.04 -0.24 -0.40 113.70 116.15 2a15 s SER 97 Ca -0.00 -1.41 0.08 0.00 0.48 0.00 0.00 55.95 55.09 2a15 s SER 97 Cb -0.11 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2a15 s SER 97 CO 0.02 -1.37 -0.20 -1.61 0.98 0.00 0.00 173.24 171.05 2a15 s GLU 98 N -2.93 1.24 0.14 4.02 2.02 0.53 -1.23 118.70 122.49 2a15 s GLU 98 Ca 0.27 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 2a15 s GLU 98 Cb -0.01 -1.42 -0.00 0.00 0.10 0.00 0.00 34.13 32.79 2a15 s GLU 98 CO 0.18 0.35 0.27 -0.59 0.02 0.00 0.00 175.26 175.50 2a15 s PHE 99 N -0.97 0.29 -1.55 1.61 -0.12 0.39 -4.66 117.98 112.97 2a15 s PHE 99 Ca 0.07 -0.66 -0.08 0.00 -0.05 0.00 0.00 56.93 56.20 2a15 s PHE 99 Cb -0.09 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.34 2a15 s PHE 99 CO 0.03 -0.68 0.52 -0.25 -0.05 0.00 0.00 175.22 174.79 2a15 n ASP 100 N -0.18 -1.39 -0.16 1.98 10.43 -1.26 -1.81 116.55 124.16 2a15 n ASP 100 Ca -0.10 -1.04 -0.01 0.00 2.57 0.00 0.00 54.79 56.21 2a15 n ASP 100 Cb 0.63 -2.75 -0.00 0.00 1.84 0.00 0.00 41.12 40.84 2a15 n ASP 100 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2a15 n GLY 101 N -1.81 0.39 0.00 0.44 0.00 -1.26 -4.38 105.19 98.57 2a15 n GLY 101 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2a15 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a15 n GLY 102 N -0.96 1.08 3.72 -0.02 0.00 -0.80 -5.10 105.19 103.11 2a15 n GLY 102 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2a15 n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a15 s PHE 103 N -2.00 2.06 0.08 1.61 0.40 -0.75 -4.79 117.98 114.59 2a15 s PHE 103 Ca 0.00 1.61 0.09 0.00 -0.60 0.00 0.00 56.93 58.03 2a15 s PHE 103 Cb 0.00 -3.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.05 2a15 s PHE 103 CO 0.00 -2.57 -0.24 0.95 0.70 0.00 0.00 175.22 174.06 2a15 s THR 104 N -2.06 2.00 0.10 0.64 -4.23 -0.73 -0.46 115.64 110.89 2a15 s THR 104 Ca 0.73 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 2a15 s THR 104 Cb -0.28 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 2a15 s THR 104 CO 0.46 0.18 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.70 2a15 s SER 105 N -1.56 1.31 0.01 3.99 1.04 -0.37 -0.97 113.70 117.15 2a15 s SER 105 Ca 0.11 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2a15 s SER 105 Cb -0.10 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2a15 s SER 105 CO 0.03 -0.33 -0.01 -0.70 0.98 0.00 0.00 173.24 173.22 2a15 s GLU 106 N -3.09 0.25 -0.03 4.02 2.12 0.35 -1.08 118.70 121.24 2a15 s GLU 106 Ca 0.07 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 2a15 s GLU 106 Cb -0.00 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.48 2a15 s GLU 106 CO -0.01 -0.04 0.13 0.54 -0.54 0.00 0.00 175.26 175.34 2a15 s VAL 107 N -1.07 0.04 -0.17 3.70 0.11 -0.36 -0.65 120.40 122.00 2a15 s VAL 107 Ca -0.12 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2a15 s VAL 107 Cb -0.07 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2a15 s VAL 107 CO -0.01 -0.18 -0.13 -0.60 -3.33 0.00 0.00 175.10 170.86 2a15 s ARG 108 N -0.59 3.25 0.23 1.54 3.52 -1.26 -0.51 118.95 125.13 2a15 s ARG 108 Ca -0.07 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 2a15 s ARG 108 Cb -0.04 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2a15 s ARG 108 CO 0.01 -0.05 0.31 0.20 -0.81 0.00 0.00 175.30 174.96 2a15 s GLY 109 N 1.00 1.01 -0.11 8.12 0.00 -0.55 -4.93 107.32 111.85 2a15 s GLY 109 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.25 2a15 s GLY 109 CO -0.02 -1.02 0.39 0.14 0.00 0.00 0.00 173.10 172.60 2a15 s VAL 110 N -4.06 5.21 -0.09 1.40 1.01 -1.20 -1.47 120.40 121.20 2a15 s VAL 110 Ca 0.31 0.78 0.04 0.00 0.00 0.00 0.00 61.98 63.10 2a15 s VAL 110 Cb 0.03 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a15 s VAL 110 CO 0.11 0.39 -0.21 -0.36 0.00 0.00 0.00 175.10 175.04 2a15 s PHE 111 N 0.26 2.23 -0.00 5.22 0.08 0.26 -0.15 117.98 125.87 2a15 s PHE 111 Ca 0.22 -0.88 0.02 0.00 0.12 0.00 0.00 56.93 56.41 2a15 s PHE 111 Cb -0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2a15 s PHE 111 CO 0.08 -0.36 -0.01 0.95 -0.10 0.00 0.00 175.22 175.78 2a15 s THR 112 N 0.39 4.10 0.02 0.64 -4.23 0.36 -0.84 115.64 116.08 2a15 s THR 112 Ca -0.17 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 2a15 s THR 112 Cb -0.17 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2a15 s THR 112 CO 0.07 0.39 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.09 2a15 s TYR 113 N -1.07 1.20 -0.04 3.99 2.02 0.39 -1.09 117.35 122.76 2a15 s TYR 113 Ca 0.19 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2a15 s TYR 113 Cb -0.11 -0.74 -0.00 0.00 -0.40 0.00 0.00 41.96 40.70 2a15 s TYR 113 CO 0.10 0.01 -0.17 0.50 -1.57 0.00 0.00 175.55 174.42 2a15 s ARG 114 N -0.76 1.67 0.21 -0.62 3.52 -0.41 -1.94 118.95 120.63 2a15 s ARG 114 Ca 0.03 -0.59 0.09 0.00 -0.13 0.00 0.00 55.73 55.13 2a15 s ARG 114 Cb -0.07 -1.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.80 2a15 s ARG 114 CO 0.00 0.26 -0.08 0.14 -0.81 0.00 0.00 175.30 174.81 2a15 s VAL 115 N -0.02 3.18 0.71 7.11 -7.23 -0.04 -0.72 120.40 123.38 2a15 s VAL 115 Ca -0.02 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2a15 s VAL 115 Cb -0.11 -2.61 0.16 0.00 0.56 0.00 0.00 36.38 34.38 2a15 s VAL 115 CO 0.02 -0.21 0.96 -0.46 -0.31 0.00 0.00 175.10 175.10 2a15 n ASN 116 N -0.26 0.32 0.22 4.85 0.23 -0.05 -4.85 115.26 115.72 2a15 n ASN 116 Ca -0.09 -1.50 0.05 0.00 -0.53 0.00 0.00 54.58 52.51 2a15 n ASN 116 Cb 0.57 -0.71 0.51 0.00 -2.08 0.00 0.00 39.78 38.07 2a15 n ASN 116 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2a15 h LYS 117 N 0.00 0.03 0.00 -3.83 1.79 -2.00 0.06 116.57 112.63 2a15 h LYS 117 Ca -0.31 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2a15 h LYS 117 Cb 0.92 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2a15 h LYS 117 CO 0.24 0.17 0.00 0.00 -1.08 0.00 0.00 179.45 178.79 2a15 n ALA 118 N -2.51 1.66 -0.20 3.86 0.00 -1.26 -4.89 120.51 117.17 2a15 n ALA 118 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2a15 n ALA 118 Cb 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2a15 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a15 n GLY 119 N 0.00 0.80 3.84 0.00 0.00 0.01 -5.06 105.19 104.78 2a15 n GLY 119 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2a15 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a15 s LEU 120 N 0.00 4.35 -0.04 0.99 1.43 -1.26 -4.77 118.68 119.38 2a15 s LEU 120 Ca 0.00 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 2a15 s LEU 120 Cb 0.00 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 2a15 s LEU 120 CO 0.00 0.10 1.51 -0.63 0.23 0.00 0.00 176.35 177.56 2a15 s ILE 121 N -1.45 3.67 -0.13 -0.59 1.01 0.74 -0.87 121.20 123.58 2a15 s ILE 121 Ca 0.38 0.94 0.18 0.00 0.00 0.00 0.00 60.65 62.15 2a15 s ILE 121 Cb -0.15 -3.60 -0.26 0.00 0.01 0.00 0.00 42.46 38.45 2a15 s ILE 121 CO 0.19 -0.05 0.20 0.35 0.00 0.00 0.00 174.94 175.63 2a15 n THR 122 N 5.10 0.85 -3.72 2.92 -2.24 0.10 -0.77 114.28 116.53 2a15 n THR 122 Ca 0.15 -0.69 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2a15 n THR 122 Cb 0.43 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 2a15 n THR 122 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2a15 s ASN 123 N -4.98 -0.37 -0.09 3.42 0.01 -1.12 -1.65 114.94 110.16 2a15 s ASN 123 Ca -0.09 0.67 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 2a15 s ASN 123 Cb 0.08 0.57 0.02 0.00 0.41 0.00 0.00 41.25 42.32 2a15 s ASN 123 CO 0.80 -0.17 -0.12 -0.32 -1.51 0.00 0.00 177.10 175.77 2a15 s MET 124 N 1.21 1.84 -0.05 -0.60 1.75 -1.07 -1.29 119.30 121.09 2a15 s MET 124 Ca -0.09 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 53.93 2a15 s MET 124 Cb -0.09 -1.61 0.02 0.00 2.84 0.00 0.00 34.83 36.00 2a15 s MET 124 CO -0.09 -0.06 -0.06 1.03 -0.65 0.00 0.00 175.02 175.19 2a15 s ARG 125 N 0.98 1.01 -0.10 4.11 0.52 -0.25 -0.23 118.95 125.00 2a15 s ARG 125 Ca -0.08 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2a15 s ARG 125 Cb -0.15 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 2a15 s ARG 125 CO -0.00 -0.09 -0.09 0.20 0.02 0.00 0.00 175.30 175.34 2a15 s GLY 126 N 0.99 1.64 -0.89 -3.53 0.00 0.12 -0.48 107.32 105.17 2a15 s GLY 126 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.63 2a15 s GLY 126 CO -0.00 -0.44 0.82 -0.19 0.00 0.00 0.00 173.10 173.29 2a15 s TYR 127 N -0.28 3.87 0.29 1.90 2.02 0.78 -0.50 117.35 125.44 2a15 s TYR 127 Ca 0.03 -2.35 -0.20 0.00 -0.37 0.00 0.00 57.07 54.18 2a15 s TYR 127 Cb -0.13 -3.71 0.02 0.00 -0.40 0.00 0.00 41.96 37.75 2a15 s TYR 127 CO 0.03 -0.94 0.72 1.67 -1.57 0.00 0.00 175.55 175.46 2a15 s TRP 128 N -0.37 -0.15 0.21 2.71 1.48 -1.26 -3.26 118.94 118.30 2a15 s TRP 128 Ca 0.22 -0.34 -0.11 0.00 -1.06 0.00 0.00 56.10 54.81 2a15 s TRP 128 Cb -0.11 0.72 -0.00 0.00 -1.16 0.00 0.00 33.47 32.91 2a15 s TRP 128 CO -0.08 -1.28 0.39 0.54 -4.06 0.00 0.00 176.95 172.46 2a15 s ASN 129 N -2.94 -0.05 0.43 -2.66 2.20 -1.26 -4.71 114.94 105.95 2a15 s ASN 129 Ca 0.12 -0.87 0.10 0.00 -0.94 0.00 0.00 52.86 51.27 2a15 s ASN 129 Cb -0.06 0.52 0.97 0.00 -2.00 0.00 0.00 41.25 40.68 2a15 s ASN 129 CO 0.08 -1.02 2.05 -0.07 -2.94 0.00 0.00 177.10 175.19 2a15 h LEU 130 N 2.37 0.37 -2.42 3.54 3.38 -1.99 -0.40 115.31 120.17 2a15 h LEU 130 Ca -0.29 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2a15 h LEU 130 Cb 1.24 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2a15 h LEU 130 CO 0.41 0.25 -0.02 0.44 0.09 0.00 0.00 178.44 179.62 2a15 h ASP 131 N 0.43 0.00 1.08 -0.43 3.32 -2.03 -2.23 116.42 116.56 2a15 h ASP 131 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2a15 h ASP 131 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2a15 h ASP 131 CO -0.04 0.02 -0.19 0.23 -1.72 0.00 0.00 179.24 177.54 2a15 n MET 132 N -3.27 0.15 -2.24 3.56 2.81 -0.16 -4.93 117.12 113.05 2a15 n MET 132 Ca -0.02 0.10 -0.38 0.00 -1.81 0.00 0.00 57.70 55.59 2a15 n MET 132 Cb 0.15 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.00 2a15 n MET 132 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2a15 s MET 133 N -3.07 3.85 0.18 0.03 -1.94 -0.84 -4.72 119.30 112.79 2a15 s MET 133 Ca 0.11 1.83 0.09 0.00 -1.71 0.00 0.00 55.69 56.02 2a15 s MET 133 Cb 0.15 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 2a15 s MET 133 CO 0.62 -0.49 -0.13 0.95 -0.01 0.00 0.00 175.02 175.95 2a15 s THR 134 N -1.48 3.00 0.26 2.05 -4.23 0.17 -4.94 115.64 110.47 2a15 s THR 134 Ca 0.61 -1.73 0.12 0.00 -1.18 0.00 0.00 61.69 59.51 2a15 s THR 134 Cb -0.30 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 2a15 s THR 134 CO 0.37 -0.10 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.78 2a15 s PHE 135 N -1.67 2.29 0.25 3.99 0.08 -1.26 -0.49 117.98 121.16 2a15 s PHE 135 Ca 0.24 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2a15 s PHE 135 Cb -0.09 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 2a15 s PHE 135 CO 0.14 0.67 0.34 0.20 -0.10 0.00 0.00 175.22 176.46 2a15 s GLY 136 N -3.30 1.09 0.00 4.36 0.00 -0.15 -4.98 107.32 104.35 2a15 s GLY 136 Ca 0.28 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2a15 s GLY 136 CO 0.14 -1.00 0.00 0.70 0.00 0.00 0.00 173.10 172.93