#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t13 s PHE 13 N 0.00 0.08 0.05 0.66 -0.12 -1.25 -5.00 117.98 112.40 1t13 s PHE 13 Ca 0.00 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.37 1t13 s PHE 13 Cb 0.00 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1t13 s PHE 13 CO 0.00 -1.28 -0.08 0.15 -0.05 0.00 0.00 175.22 173.96 1t13 s LYS 14 N -3.44 2.38 -0.14 1.99 1.02 -1.26 -0.90 119.74 119.38 1t13 s LYS 14 Ca 0.16 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1t13 s LYS 14 Cb -0.04 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1t13 s LYS 14 CO 0.09 0.56 -0.12 0.42 -0.92 0.00 0.00 175.35 175.39 1t13 s ILE 15 N -1.10 1.40 -0.20 2.17 1.01 0.43 -0.58 121.20 124.34 1t13 s ILE 15 Ca 0.19 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1t13 s ILE 15 Cb -0.11 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1t13 s ILE 15 CO 0.11 0.39 0.97 0.00 0.00 0.00 0.00 174.94 176.41 1t13 s ALA 16 N 1.55 3.60 -0.57 9.38 0.00 -0.95 -1.76 121.76 133.01 1t13 s ALA 16 Ca 0.04 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1t13 s ALA 16 Cb -0.13 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.70 1t13 s ALA 16 CO -0.10 -0.89 0.41 0.12 0.00 0.00 0.00 175.76 175.31 1t13 s PHE 17 N 2.76 3.49 -0.20 0.00 5.36 0.69 -0.35 117.98 129.74 1t13 s PHE 17 Ca 0.43 -2.41 -0.26 0.00 -0.96 0.00 0.00 56.93 53.73 1t13 s PHE 17 Cb -0.16 -3.34 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1t13 s PHE 17 CO 0.09 -0.92 0.86 0.42 -1.46 0.00 0.00 175.22 174.22 1t13 s ILE 18 N 0.49 4.84 -0.12 3.12 1.01 -0.20 -1.06 121.20 129.28 1t13 s ILE 18 Ca 0.13 1.67 0.02 0.00 0.00 0.00 0.00 60.65 62.47 1t13 s ILE 18 Cb -0.21 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.12 1t13 s ILE 18 CO -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 174.94 174.69 1t13 s GLN 19 N 2.47 2.56 0.79 2.79 -2.07 0.34 -1.11 119.66 125.43 1t13 s GLN 19 Ca 0.38 -0.69 -0.12 0.00 -1.82 0.00 0.00 55.36 53.11 1t13 s GLN 19 Cb -0.16 -2.10 0.07 0.00 -1.09 0.00 0.00 33.01 29.74 1t13 s GLN 19 CO 0.10 -0.01 1.13 0.00 -1.32 0.00 0.00 175.29 175.20 1t13 s ALA 20 N 0.83 2.02 -0.88 2.60 0.00 -0.04 -2.12 121.76 124.17 1t13 s ALA 20 Ca -0.09 0.53 0.20 0.00 0.00 0.00 0.00 51.96 52.60 1t13 s ALA 20 Cb -0.16 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 1t13 s ALA 20 CO -0.00 -2.02 0.81 0.54 0.00 0.00 0.00 175.76 175.09 1t13 n ARG 21 N -3.42 0.51 -2.03 0.00 5.12 -0.47 -4.70 116.66 111.67 1t13 n ARG 21 Ca 0.11 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.61 1t13 n ARG 21 Cb 0.52 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 1t13 n ARG 21 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1t13 s TRP 22 N -2.89 2.93 -1.42 -1.55 0.52 -1.21 -1.49 118.94 113.84 1t13 s TRP 22 Ca 0.07 1.31 -0.11 0.00 0.02 0.00 0.00 56.10 57.38 1t13 s TRP 22 Cb 0.15 -3.78 0.08 0.00 -1.15 0.00 0.00 33.47 28.77 1t13 s TRP 22 CO 0.81 -2.23 0.66 0.72 0.02 0.00 0.00 176.95 176.93 1t13 n HIS 23 N 0.90 -1.93 -0.23 -1.98 8.25 -1.26 -4.49 115.22 114.48 1t13 n HIS 23 Ca 0.01 0.62 -0.04 0.00 -0.26 0.00 0.00 57.72 58.05 1t13 n HIS 23 Cb 0.41 -3.35 0.02 0.00 1.12 0.00 0.00 29.99 28.19 1t13 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t13 h ALA 24 N 0.97 0.05 -0.99 -1.41 0.00 -1.54 0.45 119.26 116.77 1t13 h ALA 24 Ca -0.49 0.19 0.28 0.00 0.00 0.00 0.00 54.91 54.88 1t13 h ALA 24 Cb 1.33 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1t13 h ALA 24 CO 0.60 -0.64 0.70 0.38 0.00 0.00 0.00 179.25 180.29 1t13 h ASP 25 N -0.12 0.12 0.00 0.00 -0.00 -1.88 1.12 116.42 115.65 1t13 h ASP 25 Ca 0.26 0.02 -0.06 0.00 -0.00 0.00 0.00 57.03 57.24 1t13 h ASP 25 Cb 0.55 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.87 1t13 h ASP 25 CO -0.72 0.03 -0.35 0.40 -0.00 0.00 0.00 179.24 178.60 1t13 h ILE 26 N 0.11 1.50 -0.77 4.15 2.04 -1.33 -3.20 117.51 120.01 1t13 h ILE 26 Ca 0.49 -2.26 0.14 0.00 1.00 0.00 0.00 64.86 64.24 1t13 h ILE 26 Cb 1.76 2.96 -0.09 0.00 -0.74 0.00 0.00 36.82 40.71 1t13 h ILE 26 CO -0.07 0.51 0.32 0.58 0.00 0.00 0.00 178.15 179.49 1t13 h VAL 27 N -1.00 0.67 -0.31 1.67 2.07 0.49 -1.95 116.25 117.89 1t13 h VAL 27 Ca -0.10 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1t13 h VAL 27 Cb 1.05 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1t13 h VAL 27 CO -0.06 0.09 -0.35 0.44 0.02 0.00 0.00 177.57 177.71 1t13 h ASP 28 N 0.47 -1.13 -1.01 0.57 3.45 0.11 0.18 116.42 119.06 1t13 h ASP 28 Ca 0.42 0.18 0.26 0.00 0.43 0.00 0.00 57.03 58.32 1t13 h ASP 28 Cb 0.63 0.51 -0.13 0.00 -0.56 0.00 0.00 39.33 39.78 1t13 h ASP 28 CO -0.40 -0.35 0.60 -0.33 -1.57 0.00 0.00 179.24 177.20 1t13 h GLU 29 N -0.32 0.51 0.13 3.56 4.39 -1.34 0.43 114.58 121.94 1t13 h GLU 29 Ca 0.14 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1t13 h GLU 29 Cb 0.55 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1t13 h GLU 29 CO -0.48 0.34 -0.08 0.00 -1.16 0.00 0.00 179.01 177.63 1t13 h ALA 30 N 1.74 -0.20 0.91 3.43 0.00 -0.89 -1.32 119.26 122.94 1t13 h ALA 30 Ca 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 1t13 h ALA 30 Cb 1.32 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1t13 h ALA 30 CO -0.48 -0.62 -0.47 -0.09 0.00 0.00 0.00 179.25 177.59 1t13 h ARG 31 N -0.21 -1.22 -0.81 0.00 2.43 0.20 -0.75 114.38 114.03 1t13 h ARG 31 Ca -0.01 0.08 0.18 0.00 -0.81 0.00 0.00 59.98 59.42 1t13 h ARG 31 Cb 0.17 0.28 -0.15 0.00 -0.42 0.00 0.00 29.97 29.85 1t13 h ARG 31 CO 0.01 -0.82 -0.09 0.87 -1.51 0.00 0.00 179.97 178.44 1t13 h LYS 32 N -1.27 0.04 -0.42 0.20 1.57 -0.69 0.32 116.57 116.33 1t13 h LYS 32 Ca -0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1t13 h LYS 32 Cb 0.99 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1t13 h LYS 32 CO 0.18 0.03 0.26 1.03 -0.57 0.00 0.00 179.45 180.38 1t13 h SER 33 N 0.04 0.50 0.28 0.86 0.87 -1.11 0.21 113.55 115.19 1t13 h SER 33 Ca 0.42 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1t13 h SER 33 Cb 0.72 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1t13 h SER 33 CO -0.77 0.40 -0.22 0.15 -0.53 0.00 0.00 176.83 175.85 1t13 h PHE 34 N 0.55 -0.59 -0.80 2.24 3.57 0.10 0.47 116.94 122.48 1t13 h PHE 34 Ca 0.15 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1t13 h PHE 34 Cb -0.01 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1t13 h PHE 34 CO -0.04 -0.34 0.52 0.28 -2.23 0.00 0.00 178.31 176.51 1t13 h VAL 35 N -0.51 1.17 0.97 1.41 2.07 -0.38 -1.40 116.25 119.57 1t13 h VAL 35 Ca -0.02 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1t13 h VAL 35 Cb 0.46 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1t13 h VAL 35 CO -0.02 0.19 -0.47 0.00 0.02 0.00 0.00 177.57 177.30 1t13 h ALA 36 N 1.31 -1.30 -0.62 1.67 0.00 -0.16 -2.10 119.26 118.06 1t13 h ALA 36 Ca 0.30 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1t13 h ALA 36 Cb -0.07 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1t13 h ALA 36 CO -0.08 -1.22 -0.02 0.93 0.00 0.00 0.00 179.25 178.86 1t13 h GLU 37 N -1.32 0.10 -0.74 0.00 4.39 0.09 -0.38 114.58 116.71 1t13 h GLU 37 Ca -0.13 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.62 1t13 h GLU 37 Cb 1.00 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 1t13 h GLU 37 CO 0.22 0.07 0.44 -0.07 -1.16 0.00 0.00 179.01 178.50 1t13 h LEU 38 N 0.10 0.67 -0.11 1.33 3.38 -1.19 -1.79 115.31 117.70 1t13 h LEU 38 Ca 0.32 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1t13 h LEU 38 Cb 0.53 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1t13 h LEU 38 CO -0.55 0.43 0.01 0.00 0.09 0.00 0.00 178.44 178.43 1t13 h ALA 39 N 1.36 0.10 0.00 1.53 0.00 -0.40 1.35 119.26 123.20 1t13 h ALA 39 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1t13 h ALA 39 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1t13 h ALA 39 CO -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1t13 n ALA 40 N -2.21 1.99 0.00 0.00 0.00 -0.48 0.32 120.51 120.14 1t13 n ALA 40 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1t13 n ALA 40 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1t13 n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t13 n LYS 41 N -0.44 2.31 0.00 0.00 4.76 -0.23 -4.84 118.16 119.73 1t13 n LYS 41 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1t13 n LYS 41 Cb 0.01 -0.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1t13 n LYS 41 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1t13 n THR 42 N -0.53 0.00 -2.67 -0.18 -2.24 0.45 -4.99 114.28 104.11 1t13 n THR 42 Ca 0.00 -0.49 -0.18 0.00 -2.27 0.00 0.00 64.05 61.11 1t13 n THR 42 Cb 0.05 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1t13 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t13 n GLY 43 N 0.51 -0.50 0.98 3.38 0.00 0.15 0.30 105.19 110.01 1t13 n GLY 43 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1t13 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t13 n GLY 44 N -1.05 0.90 0.29 -0.02 0.00 -1.25 -4.94 105.19 99.11 1t13 n GLY 44 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1t13 n GLY 44 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1t13 h SER 45 N 0.00 -0.81 -3.24 1.61 0.87 -0.49 -3.37 113.55 108.11 1t13 h SER 45 Ca 0.00 0.13 -0.59 0.00 -1.23 0.00 0.00 61.79 60.10 1t13 h SER 45 Cb 0.00 0.36 -0.08 0.00 -0.44 0.00 0.00 62.40 62.24 1t13 h SER 45 CO 0.00 -0.31 0.64 -0.69 -0.53 0.00 0.00 176.83 175.94 1t13 s VAL 46 N -6.06 4.71 -0.15 2.23 1.01 -1.26 -3.86 120.40 117.03 1t13 s VAL 46 Ca -0.15 1.70 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1t13 s VAL 46 Cb 0.11 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1t13 s VAL 46 CO 0.67 -0.22 0.38 -0.70 0.00 0.00 0.00 175.10 175.23 1t13 s GLU 47 N 3.14 4.27 -0.22 2.72 2.12 -0.08 -4.87 118.70 125.78 1t13 s GLU 47 Ca 0.40 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.92 1t13 s GLU 47 Cb -0.14 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 1t13 s GLU 47 CO 0.09 0.15 -0.01 0.08 -0.54 0.00 0.00 175.26 175.03 1t13 s VAL 48 N 0.71 3.66 -0.23 3.70 1.01 -1.26 -0.43 120.40 127.56 1t13 s VAL 48 Ca 0.20 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1t13 s VAL 48 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1t13 s VAL 48 CO 0.07 0.41 0.11 -1.61 0.00 0.00 0.00 175.10 174.08 1t13 s GLU 49 N 1.41 3.91 -0.04 2.72 2.02 -0.72 -4.96 118.70 123.03 1t13 s GLU 49 Ca 0.05 -0.36 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 1t13 s GLU 49 Cb -0.14 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 1t13 s GLU 49 CO -0.01 0.01 0.47 0.42 0.02 0.00 0.00 175.26 176.17 1t13 s ILE 50 N 1.15 5.05 -0.10 -1.63 1.09 -1.26 -0.23 121.20 125.27 1t13 s ILE 50 Ca 0.06 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1t13 s ILE 50 Cb -0.14 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.48 1t13 s ILE 50 CO 0.04 0.46 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.85 1t13 s PHE 51 N -0.32 1.79 0.07 3.97 0.40 -0.23 -4.94 117.98 118.72 1t13 s PHE 51 Ca 0.26 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.61 1t13 s PHE 51 Cb -0.16 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.99 1t13 s PHE 51 CO 0.13 -0.42 0.55 -0.51 0.70 0.00 0.00 175.22 175.66 1t13 s ASP 52 N 0.97 7.01 0.00 1.36 1.11 -1.26 -0.51 116.67 125.35 1t13 s ASP 52 Ca -0.08 1.21 -0.03 0.00 0.18 0.00 0.00 52.55 53.83 1t13 s ASP 52 Cb -0.15 -2.34 -0.01 0.00 1.07 0.00 0.00 42.92 41.50 1t13 s ASP 52 CO -0.01 0.26 0.05 0.54 1.18 0.00 0.00 175.17 177.19 1t13 s VAL 53 N -1.15 0.07 0.04 -1.27 0.11 -0.90 -4.91 120.40 112.39 1t13 s VAL 53 Ca 0.29 -0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 58.65 1t13 s VAL 53 Cb -0.19 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1t13 s VAL 53 CO 0.18 -0.31 1.21 -0.65 -3.33 0.00 0.00 175.10 172.21 1t13 h PRO 54 N 4.97 -0.24 -4.76 1.54 0.11 -1.93 -1.24 132.00 130.46 1t13 h PRO 54 Ca -0.29 0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.53 1t13 h PRO 54 Cb 1.20 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.22 1t13 h PRO 54 CO 0.43 -0.16 -0.62 0.20 -0.21 0.00 0.00 178.00 177.63 1t13 s GLY 55 N -1.48 1.55 0.46 -0.55 0.00 -1.26 -1.59 107.32 104.43 1t13 s GLY 55 Ca -0.06 -1.76 0.25 0.00 0.00 0.00 0.00 44.72 43.14 1t13 s GLY 55 CO 0.24 -1.51 1.80 0.00 0.00 0.00 0.00 173.10 173.62 1t13 h ALA 56 N 2.52 2.55 0.00 3.20 0.00 -1.92 0.52 119.26 126.12 1t13 h ALA 56 Ca -0.37 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1t13 h ALA 56 Cb 1.24 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t13 h ALA 56 CO 0.58 -0.91 -0.10 -0.92 0.00 0.00 0.00 179.25 177.91 1t13 h TYR 57 N 0.24 0.00 -0.00 0.00 3.20 -1.96 -1.68 116.97 116.77 1t13 h TYR 57 Ca 0.56 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.43 1t13 h TYR 57 Cb 1.72 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1t13 h TYR 57 CO -0.00 0.10 -0.06 0.39 -1.64 0.00 0.00 178.16 176.95 1t13 n GLU 58 N -3.69 0.76 0.14 1.82 4.71 0.18 -4.30 120.64 120.26 1t13 n GLU 58 Ca -0.02 -0.18 -0.08 0.00 -0.01 0.00 0.00 57.16 56.87 1t13 n GLU 58 Cb 0.21 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.10 1t13 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1t13 h ILE 59 N 0.45 0.16 -0.78 -3.67 2.04 -1.35 -3.30 117.51 111.06 1t13 h ILE 59 Ca 0.00 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.19 1t13 h ILE 59 Cb 0.28 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1t13 h ILE 59 CO 0.00 0.04 -0.46 -2.65 0.00 0.00 0.00 178.15 175.08 1t13 n PRO 60 N -5.06 -0.34 -0.29 2.37 -0.02 -1.26 -0.67 135.00 129.72 1t13 n PRO 60 Ca -0.06 1.20 -0.02 0.00 -2.02 0.00 0.00 63.50 62.60 1t13 n PRO 60 Cb 0.20 -1.77 0.10 0.00 -0.02 0.00 0.00 33.50 32.01 1t13 n PRO 60 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t13 h LEU 61 N 0.00 0.83 -0.21 2.45 5.85 -1.85 -0.21 115.31 122.18 1t13 h LEU 61 Ca 0.12 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1t13 h LEU 61 Cb 0.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1t13 h LEU 61 CO -0.73 0.57 0.13 -0.74 -0.34 0.00 0.00 178.44 177.33 1t13 h HIS 62 N 0.98 0.27 0.00 1.25 2.76 -0.98 0.11 115.15 119.55 1t13 h HIS 62 Ca 0.32 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 1t13 h HIS 62 Cb 0.02 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1t13 h HIS 62 CO -0.03 0.19 -0.15 0.00 -1.30 0.00 0.00 177.93 176.64 1t13 h ALA 63 N 1.06 1.72 0.16 5.26 0.00 -0.39 0.26 119.26 127.32 1t13 h ALA 63 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1t13 h ALA 63 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1t13 h ALA 63 CO -0.02 0.18 -0.07 -0.22 0.00 0.00 0.00 179.25 179.12 1t13 h LYS 64 N 0.00 -0.20 0.16 0.00 3.64 -0.21 -0.85 116.57 119.11 1t13 h LYS 64 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1t13 h LYS 64 Cb 0.27 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1t13 h LYS 64 CO 0.02 0.22 -0.51 1.15 -2.27 0.00 0.00 179.45 178.06 1t13 h THR 65 N -0.73 0.03 -0.69 1.00 2.02 -0.27 0.60 112.91 114.86 1t13 h THR 65 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1t13 h THR 65 Cb 0.52 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1t13 h THR 65 CO 0.04 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.31 1t13 h LEU 66 N -0.77 0.60 -0.20 2.58 3.38 -0.58 -1.73 115.31 118.59 1t13 h LEU 66 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1t13 h LEU 66 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1t13 h LEU 66 CO -0.26 0.38 0.06 0.00 0.09 0.00 0.00 178.44 178.71 1t13 h ALA 67 N 1.63 0.26 -0.88 1.53 0.00 -0.29 -2.81 119.26 118.70 1t13 h ALA 67 Ca 0.30 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.27 1t13 h ALA 67 Cb 0.32 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1t13 h ALA 67 CO -0.10 -0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.44 1t13 h ARG 68 N 0.14 0.48 -1.13 0.00 3.08 0.01 -0.65 114.38 116.32 1t13 h ARG 68 Ca 0.06 -0.03 0.32 0.00 0.07 0.00 0.00 59.98 60.40 1t13 h ARG 68 Cb 0.23 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.07 1t13 h ARG 68 CO -0.00 0.32 0.73 1.79 -1.07 0.00 0.00 179.97 181.74 1t13 h THR 69 N 0.50 0.41 0.00 2.04 1.35 -1.23 -3.44 112.91 112.53 1t13 h THR 69 Ca 0.52 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1t13 h THR 69 Cb 0.90 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1t13 h THR 69 CO -0.46 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.47 1t13 n GLY 70 N -1.51 2.10 0.00 5.82 0.00 -0.25 -4.87 105.19 106.47 1t13 n GLY 70 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1t13 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t13 n ARG 71 N -2.00 0.29 -4.65 1.61 1.74 -1.26 -4.76 116.66 107.63 1t13 n ARG 71 Ca 0.00 0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 1t13 n ARG 71 Cb 0.00 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.78 1t13 n ARG 71 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1t13 s TYR 72 N -2.42 1.45 0.29 -1.55 1.51 -1.26 -4.42 117.35 110.94 1t13 s TYR 72 Ca 0.17 -0.44 0.15 0.00 -1.01 0.00 0.00 57.07 55.93 1t13 s TYR 72 Cb 0.11 -1.01 0.66 0.00 -0.11 0.00 0.00 41.96 41.60 1t13 s TYR 72 CO 0.22 -0.19 1.76 0.00 -1.11 0.00 0.00 175.55 176.24 1t13 h ALA 73 N 6.51 1.16 -2.62 3.71 0.00 -1.14 -3.46 119.26 123.43 1t13 h ALA 73 Ca -0.32 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1t13 h ALA 73 Cb 1.18 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1t13 h ALA 73 CO 0.48 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.56 1t13 s ALA 74 N -3.87 -1.70 0.05 0.00 0.00 -1.25 -4.30 121.76 110.69 1t13 s ALA 74 Ca -0.02 0.78 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1t13 s ALA 74 Cb 0.13 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1t13 s ALA 74 CO 0.72 -0.68 -0.21 0.42 0.00 0.00 0.00 175.76 176.01 1t13 s ILE 75 N -3.17 1.67 -0.04 0.00 1.01 0.17 -2.23 121.20 118.61 1t13 s ILE 75 Ca 0.01 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.49 1t13 s ILE 75 Cb -0.01 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1t13 s ILE 75 CO -0.09 0.19 -0.19 -0.69 0.00 0.00 0.00 174.94 174.16 1t13 s VAL 76 N -0.83 1.58 -0.18 2.92 1.01 0.53 0.09 120.40 125.52 1t13 s VAL 76 Ca 0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1t13 s VAL 76 Cb -0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1t13 s VAL 76 CO 0.02 0.45 -0.10 -0.83 0.00 0.00 0.00 175.10 174.64 1t13 s GLY 77 N -0.13 1.55 -0.08 4.51 0.00 -0.21 -1.03 107.32 111.93 1t13 s GLY 77 Ca -0.01 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1t13 s GLY 77 CO 0.02 0.17 -0.18 0.00 0.00 0.00 0.00 173.10 173.11 1t13 s ALA 78 N 1.02 1.72 0.04 3.20 0.00 -0.27 0.98 121.76 128.46 1t13 s ALA 78 Ca -0.01 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1t13 s ALA 78 Cb -0.15 -0.67 0.09 0.00 0.00 0.00 0.00 23.12 22.39 1t13 s ALA 78 CO -0.01 0.22 0.76 0.00 0.00 0.00 0.00 175.76 176.72 1t13 s ALA 79 N 0.43 -1.74 -0.32 0.00 0.00 -0.43 -0.86 121.76 118.85 1t13 s ALA 79 Ca -0.15 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1t13 s ALA 79 Cb -0.16 0.45 0.09 0.00 0.00 0.00 0.00 23.12 23.50 1t13 s ALA 79 CO 0.06 -0.65 0.01 0.12 0.00 0.00 0.00 175.76 175.30 1t13 s PHE 80 N -2.95 3.51 -0.52 0.00 5.99 -1.26 -1.14 117.98 121.61 1t13 s PHE 80 Ca 0.01 -2.75 -0.10 0.00 0.00 0.00 0.00 56.93 54.08 1t13 s PHE 80 Cb -0.01 -2.59 0.13 0.00 0.00 0.00 0.00 43.02 40.55 1t13 s PHE 80 CO -0.07 -0.92 0.41 0.08 -0.00 0.00 0.00 175.22 174.72 1t13 s VAL 81 N 1.00 4.48 0.37 3.12 1.01 0.21 -4.82 120.40 125.76 1t13 s VAL 81 Ca 0.06 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.26 1t13 s VAL 81 Cb -0.19 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1t13 s VAL 81 CO -0.08 -0.82 0.20 0.27 0.00 0.00 0.00 175.10 174.67 1t13 s ILE 82 N 1.23 2.87 -0.61 2.22 -0.00 -1.26 -4.16 121.20 121.49 1t13 s ILE 82 Ca 0.07 -1.62 -0.22 0.00 -0.00 0.00 0.00 60.65 58.88 1t13 s ILE 82 Cb -0.25 -3.00 0.06 0.00 -0.00 0.00 0.00 42.46 39.27 1t13 s ILE 82 CO -0.01 -0.12 0.90 -0.62 -0.00 0.00 0.00 174.94 175.10 1t13 s ASP 83 N -3.91 6.22 0.00 4.36 -1.08 -1.26 -4.71 116.67 116.29 1t13 s ASP 83 Ca 0.40 -0.84 0.19 0.00 -0.52 0.00 0.00 52.55 51.78 1t13 s ASP 83 Cb -0.02 -2.40 0.87 0.00 -1.46 0.00 0.00 42.92 39.91 1t13 s ASP 83 CO 0.24 -1.30 1.59 0.61 0.52 0.00 0.00 175.17 176.83 1t13 n GLY 84 N 5.25 -1.05 0.75 2.66 0.00 -1.26 -4.73 105.19 106.82 1t13 n GLY 84 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1t13 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t13 n GLY 85 N 0.39 0.79 0.96 -0.02 0.00 -1.26 -4.93 105.19 101.12 1t13 n GLY 85 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1t13 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1t13 n ILE 86 N -2.25 1.25 -3.72 -0.61 5.41 -1.26 -5.10 119.36 113.08 1t13 n ILE 86 Ca 0.00 0.38 -0.23 0.00 1.00 0.00 0.00 62.75 63.90 1t13 n ILE 86 Cb 0.00 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.25 1t13 n ILE 86 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1t13 s TYR 87 N -2.08 2.19 -0.14 1.39 1.51 -1.26 -5.10 117.35 113.86 1t13 s TYR 87 Ca -0.03 -0.65 -0.19 0.00 -1.01 0.00 0.00 57.07 55.19 1t13 s TYR 87 Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1t13 s TYR 87 CO 0.04 -0.29 0.53 1.03 -1.11 0.00 0.00 175.55 175.75 1t13 s ARG 88 N -4.20 4.29 0.07 -0.62 0.52 -1.26 -4.63 118.95 113.13 1t13 s ARG 88 Ca 0.43 0.50 0.19 0.00 -0.52 0.00 0.00 55.73 56.33 1t13 s ARG 88 Cb -0.02 -3.49 -0.14 0.00 0.52 0.00 0.00 34.95 31.82 1t13 s ARG 88 CO 0.25 0.02 0.77 -2.39 0.02 0.00 0.00 175.30 173.98 1t13 n HIS 89 N 4.15 0.76 0.05 -0.53 1.44 -1.26 -4.22 115.22 115.61 1t13 n HIS 89 Ca -0.05 0.24 0.17 0.00 -2.01 0.00 0.00 57.72 56.07 1t13 n HIS 89 Cb 0.51 -0.96 0.66 0.00 0.12 0.00 0.00 29.99 30.31 1t13 n HIS 89 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1t13 h ASP 90 N 0.00 0.04 -0.21 4.39 3.04 -1.93 0.13 116.42 121.88 1t13 h ASP 90 Ca -0.13 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.66 1t13 h ASP 90 Cb 1.39 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.67 1t13 h ASP 90 CO 0.03 0.03 0.12 -0.26 -2.04 0.00 0.00 179.24 177.11 1t13 h PHE 91 N 0.05 0.29 0.20 4.15 -1.00 -2.00 0.12 116.94 118.75 1t13 h PHE 91 Ca 0.20 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1t13 h PHE 91 Cb 0.74 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1t13 h PHE 91 CO -0.00 0.26 -0.10 0.28 -1.61 0.00 0.00 178.31 177.14 1t13 h VAL 92 N 0.24 0.88 -0.77 -0.55 2.07 -1.52 -1.90 116.25 114.70 1t13 h VAL 92 Ca 0.08 -0.83 0.12 0.00 0.82 0.00 0.00 66.70 66.89 1t13 h VAL 92 Cb 0.06 1.33 -0.13 0.00 -1.52 0.00 0.00 31.29 31.03 1t13 h VAL 92 CO -0.01 0.17 -0.37 0.00 0.02 0.00 0.00 177.57 177.38 1t13 h ALA 93 N -0.06 0.02 -0.14 1.67 0.00 -0.70 0.49 119.26 120.54 1t13 h ALA 93 Ca -0.03 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1t13 h ALA 93 Cb 0.49 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1t13 h ALA 93 CO 0.05 -0.67 -0.05 1.15 0.00 0.00 0.00 179.25 179.73 1t13 h THR 94 N -0.09 0.82 -0.61 0.00 2.02 -0.76 0.12 112.91 114.41 1t13 h THR 94 Ca 0.28 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.51 1t13 h THR 94 Cb 0.57 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1t13 h THR 94 CO -0.82 0.00 0.33 0.00 0.37 0.00 0.00 175.52 175.40 1t13 h ALA 95 N 1.11 0.80 -0.09 6.16 0.00 0.28 0.23 119.26 127.75 1t13 h ALA 95 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1t13 h ALA 95 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1t13 h ALA 95 CO -0.16 -0.00 -0.03 0.28 0.00 0.00 0.00 179.25 179.34 1t13 h VAL 96 N 0.62 1.30 0.07 0.00 2.07 0.14 0.74 116.25 121.19 1t13 h VAL 96 Ca 0.27 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1t13 h VAL 96 Cb 0.17 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1t13 h VAL 96 CO -0.18 0.27 -0.03 0.40 0.02 0.00 0.00 177.57 178.06 1t13 h ILE 97 N -0.16 0.94 0.04 4.57 1.08 -0.47 0.49 117.51 124.01 1t13 h ILE 97 Ca 0.02 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1t13 h ILE 97 Cb 0.44 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1t13 h ILE 97 CO 0.01 0.01 -0.02 0.78 -0.69 0.00 0.00 178.15 178.24 1t13 h ASN 98 N -0.11 -0.05 -0.70 1.72 -0.26 -0.56 -2.18 115.58 113.43 1t13 h ASN 98 Ca -0.01 -0.01 0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1t13 h ASN 98 Cb 0.09 0.01 -0.11 0.00 -1.06 0.00 0.00 38.32 37.25 1t13 h ASN 98 CO 0.02 -0.03 -0.52 1.23 -1.06 0.00 0.00 177.43 177.07 1t13 h GLY 99 N -0.07 -0.69 0.52 2.83 0.00 0.88 0.73 103.07 107.27 1t13 h GLY 99 Ca -0.01 0.68 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1t13 h GLY 99 CO 0.01 -0.09 -0.49 -0.33 0.00 0.00 0.00 176.54 175.65 1t13 h MET 100 N -0.18 -0.93 -0.91 4.80 2.86 -0.75 0.12 114.93 119.93 1t13 h MET 100 Ca 0.16 0.06 0.24 0.00 -2.06 0.00 0.00 59.70 58.10 1t13 h MET 100 Cb 0.53 0.21 -0.13 0.00 0.06 0.00 0.00 31.60 32.27 1t13 h MET 100 CO -0.77 -0.62 0.40 1.98 1.06 0.00 0.00 176.91 178.96 1t13 h MET 101 N -0.97 0.36 -0.43 1.72 -1.53 -0.68 0.11 114.93 113.52 1t13 h MET 101 Ca -0.05 -0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.14 1t13 h MET 101 Cb 0.85 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.80 1t13 h MET 101 CO -0.07 0.24 0.08 0.37 0.14 0.00 0.00 176.91 177.67 1t13 h GLN 102 N 0.37 0.70 -0.03 0.39 4.15 0.13 -1.88 115.11 118.94 1t13 h GLN 102 Ca 0.58 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.82 1t13 h GLN 102 Cb 1.15 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 1t13 h GLN 102 CO -0.55 0.72 0.01 0.28 -1.93 0.00 0.00 178.83 177.36 1t13 h VAL 103 N 0.56 1.17 0.00 2.39 2.07 0.15 -1.36 116.25 121.23 1t13 h VAL 103 Ca 0.13 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1t13 h VAL 103 Cb 0.36 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1t13 h VAL 103 CO 0.01 0.14 -0.04 0.06 0.02 0.00 0.00 177.57 177.76 1t13 h GLN 104 N -0.17 0.00 0.07 1.57 3.07 -0.88 0.60 115.11 119.38 1t13 h GLN 104 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.50 1t13 h GLN 104 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 1t13 h GLN 104 CO -0.00 0.04 -1.13 -0.07 0.09 0.00 0.00 178.83 177.76 1t13 h LEU 105 N 0.00 0.29 0.01 0.06 3.38 -0.81 0.10 115.31 118.33 1t13 h LEU 105 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1t13 h LEU 105 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1t13 h LEU 105 CO 0.00 1.21 -0.01 -0.33 0.09 0.00 0.00 178.44 179.41 1t13 h GLU 106 N 0.06 -0.01 -0.00 1.13 5.08 -0.15 -3.30 114.58 117.39 1t13 h GLU 106 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1t13 h GLU 106 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1t13 h GLU 106 CO 0.17 0.78 -0.03 0.25 -1.00 0.00 0.00 179.01 179.19 1t13 n THR 107 N -4.70 0.00 -2.76 1.13 -2.24 0.10 -4.91 114.28 100.89 1t13 n THR 107 Ca -0.09 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 1t13 n THR 107 Cb 0.39 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1t13 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t13 n GLU 108 N -1.43 -2.77 -4.06 -0.78 1.02 0.01 -4.93 120.64 107.70 1t13 n GLU 108 Ca 0.09 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 1t13 n GLU 108 Cb 0.31 -5.20 -0.15 0.00 -0.02 0.00 0.00 31.44 26.39 1t13 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1t13 s VAL 109 N -2.72 3.00 0.17 2.62 1.01 -1.17 -5.03 120.40 118.28 1t13 s VAL 109 Ca 0.14 -0.63 -0.33 0.00 0.00 0.00 0.00 61.98 61.17 1t13 s VAL 109 Cb -0.07 -2.33 -0.16 0.00 0.00 0.00 0.00 36.38 33.82 1t13 s VAL 109 CO 0.17 0.46 1.19 -2.65 0.00 0.00 0.00 175.10 174.28 1t13 n PRO 110 N 4.61 1.21 -3.79 2.72 -0.02 -1.26 -4.37 135.00 134.10 1t13 n PRO 110 Ca -0.19 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 1t13 n PRO 110 Cb 0.51 -1.95 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1t13 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1t13 s VAL 111 N -0.13 1.13 0.25 -1.45 1.01 -1.25 0.45 120.40 120.42 1t13 s VAL 111 Ca 0.74 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1t13 s VAL 111 Cb -0.85 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1t13 s VAL 111 CO 0.52 -0.61 0.93 -0.76 0.00 0.00 0.00 175.10 175.18 1t13 s LEU 112 N 1.49 4.59 -0.23 3.92 1.02 0.11 -4.83 118.68 124.75 1t13 s LEU 112 Ca 0.09 1.92 -0.09 0.00 0.02 0.00 0.00 54.13 56.06 1t13 s LEU 112 Cb -0.18 -3.67 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 1t13 s LEU 112 CO -0.21 0.12 0.13 -0.55 0.02 0.00 0.00 176.35 175.86 1t13 s SER 113 N -1.26 5.85 -0.16 2.29 0.15 -1.26 -1.05 113.70 118.26 1t13 s SER 113 Ca 0.42 0.05 0.18 0.00 0.70 0.00 0.00 55.95 57.30 1t13 s SER 113 Cb -0.25 -2.05 0.45 0.00 -1.71 0.00 0.00 66.02 62.46 1t13 s SER 113 CO 0.30 0.07 1.18 0.52 1.20 0.00 0.00 173.24 176.51 1t13 n VAL 114 N 4.27 1.35 -3.16 4.45 0.31 0.28 -4.92 118.33 120.90 1t13 n VAL 114 Ca -0.15 -2.58 -0.45 0.00 -0.01 0.00 0.00 64.34 61.15 1t13 n VAL 114 Cb 0.52 0.30 -0.01 0.00 -0.91 0.00 0.00 33.84 33.75 1t13 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1t13 s VAL 115 N -2.45 5.49 0.31 2.52 1.01 -1.15 -1.31 120.40 124.81 1t13 s VAL 115 Ca 0.37 -2.82 -0.15 0.00 0.00 0.00 0.00 61.98 59.38 1t13 s VAL 115 Cb 0.37 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1t13 s VAL 115 CO -0.08 -1.34 0.73 -0.76 0.00 0.00 0.00 175.10 173.64 1t13 s LEU 116 N 0.32 4.09 -0.23 3.92 2.01 -0.29 -4.88 118.68 123.63 1t13 s LEU 116 Ca 0.33 1.28 -0.04 0.00 0.01 0.00 0.00 54.13 55.72 1t13 s LEU 116 Cb -0.07 -4.02 0.08 0.00 0.01 0.00 0.00 46.19 42.18 1t13 s LEU 116 CO -0.06 -0.18 0.09 -0.89 1.01 0.00 0.00 176.35 176.32 1t13 s THR 117 N -1.94 0.22 0.45 5.49 2.01 -1.26 -0.62 115.64 120.00 1t13 s THR 117 Ca 0.53 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 1t13 s THR 117 Cb -0.11 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.34 1t13 s THR 117 CO 0.18 -0.44 0.98 -2.16 -0.69 0.00 0.00 174.62 172.49 1t13 s PRO 118 N 1.98 4.06 0.23 4.92 0.04 -1.26 -4.94 135.00 140.03 1t13 s PRO 118 Ca 0.04 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1t13 s PRO 118 Cb -0.16 -2.15 0.28 0.00 0.04 0.00 0.00 34.50 32.50 1t13 s PRO 118 CO -0.19 -0.19 1.85 0.45 0.04 0.00 0.00 177.00 178.97 1t13 h HIS 119 N 1.78 0.91 -3.96 0.56 3.86 -2.00 -3.43 115.15 112.87 1t13 h HIS 119 Ca -0.49 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.55 1t13 h HIS 119 Cb 1.20 -0.29 -0.22 0.00 1.06 0.00 0.00 27.41 29.15 1t13 h HIS 119 CO 0.60 0.48 -0.71 -1.01 0.86 0.00 0.00 177.93 178.15 1t13 s HIS 120 N -6.08 0.30 -0.32 2.45 3.76 -1.26 -4.92 115.29 109.21 1t13 s HIS 120 Ca -0.13 -0.48 -0.05 0.00 -0.15 0.00 0.00 55.06 54.26 1t13 s HIS 120 Cb 0.17 -0.20 0.19 0.00 1.11 0.00 0.00 32.58 33.84 1t13 s HIS 120 CO 0.78 -0.16 0.91 0.12 -0.85 0.00 0.00 174.74 175.54 1t13 s PHE 121 N -1.31 -0.86 -0.48 1.40 2.19 -1.26 -5.06 117.98 112.59 1t13 s PHE 121 Ca -0.14 0.32 0.03 0.00 0.33 0.00 0.00 56.93 57.48 1t13 s PHE 121 Cb -0.09 0.15 0.57 0.00 -1.31 0.00 0.00 43.02 42.34 1t13 s PHE 121 CO -0.01 -0.54 1.84 0.72 1.83 0.00 0.00 175.22 179.06 1t13 n HIS 121 N 4.56 2.80 -3.65 10.12 8.25 -1.26 -4.75 115.22 131.28 1t13 n HIS 121 Ca 0.08 -2.19 -0.28 0.00 -0.26 0.00 0.00 57.72 55.07 1t13 n HIS 121 Cb 0.59 -1.00 0.04 0.00 1.12 0.00 0.00 29.99 30.74 1t13 n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t13 n GLU 121 N -1.05 -1.80 -4.35 -0.41 1.02 -1.26 -4.99 120.64 107.79 1t13 n GLU 121 Ca 0.56 0.51 -0.18 0.00 -0.02 0.00 0.00 57.16 58.03 1t13 n GLU 121 Cb 1.24 -4.44 -0.10 0.00 -0.02 0.00 0.00 31.44 28.12 1t13 n GLU 121 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1t13 s SER 121 N -3.60 2.37 0.11 1.62 1.04 -1.26 -4.98 113.70 109.00 1t13 s SER 121 Ca 0.40 -1.11 -0.32 0.00 0.48 0.00 0.00 55.95 55.40 1t13 s SER 121 Cb -0.13 -0.10 -0.11 0.00 0.10 0.00 0.00 66.02 65.78 1t13 s SER 121 CO 0.84 -0.31 1.58 0.50 0.98 0.00 0.00 173.24 176.83 1t13 h LYS 122 N 2.49 -0.64 -0.14 4.02 1.63 -1.98 0.26 116.57 122.21 1t13 h LYS 122 Ca -0.38 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.51 1t13 h LYS 122 Cb 1.22 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.93 1t13 h LYS 122 CO 0.64 -0.43 -0.34 0.93 -3.45 0.00 0.00 179.45 176.80 1t13 h GLU 123 N -0.66 -0.40 0.28 1.90 3.07 -1.98 0.77 114.58 117.54 1t13 h GLU 123 Ca 0.02 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1t13 h GLU 123 Cb 0.70 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1t13 h GLU 123 CO -0.28 -0.27 -0.21 0.45 -1.40 0.00 0.00 179.01 177.31 1t13 h HIS 124 N -0.42 -0.54 0.46 4.33 3.86 -1.89 -1.92 115.15 119.03 1t13 h HIS 124 Ca 0.09 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1t13 h HIS 124 Cb 0.57 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1t13 h HIS 124 CO -0.43 -0.32 -0.51 1.25 0.86 0.00 0.00 177.93 178.79 1t13 h HIS 125 N -0.49 -1.41 -0.77 2.45 -0.00 -0.17 -2.12 115.15 112.64 1t13 h HIS 125 Ca -0.02 0.01 0.21 0.00 -0.00 0.00 0.00 60.37 60.57 1t13 h HIS 125 Cb 0.43 0.56 -0.04 0.00 -0.00 0.00 0.00 27.41 28.35 1t13 h HIS 125 CO -0.12 -0.66 0.54 -0.44 -0.00 0.00 0.00 177.93 177.25 1t13 h ASP 126 N -0.98 0.08 0.04 3.26 3.32 -0.85 0.59 116.42 121.89 1t13 h ASP 126 Ca -0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1t13 h ASP 126 Cb 0.86 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1t13 h ASP 126 CO -0.09 0.04 -0.02 0.15 -1.72 0.00 0.00 179.24 177.60 1t13 h PHE 127 N 0.08 -0.05 0.00 4.55 3.57 -0.68 -2.89 116.94 121.52 1t13 h PHE 127 Ca 0.37 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 1t13 h PHE 127 Cb 1.35 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1t13 h PHE 127 CO -0.00 0.38 -0.33 0.74 -2.23 0.00 0.00 178.31 176.87 1t13 h PHE 128 N -0.49 0.00 -0.86 0.41 -1.00 -1.06 0.89 116.94 114.82 1t13 h PHE 128 Ca -0.01 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1t13 h PHE 128 Cb 0.45 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1t13 h PHE 128 CO 0.07 0.33 0.57 1.25 -1.61 0.00 0.00 178.31 178.93 1t13 h HIS 129 N 0.00 1.08 0.14 -0.55 2.76 -0.91 0.38 115.15 118.05 1t13 h HIS 129 Ca -0.00 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.86 1t13 h HIS 129 Cb 1.12 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1t13 h HIS 129 CO 0.00 0.68 -1.72 0.00 -1.30 0.00 0.00 177.93 175.59 1t13 h ALA 130 N 1.46 0.28 -0.03 5.26 0.00 -1.28 -3.37 119.26 121.59 1t13 h ALA 130 Ca 0.31 -1.19 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 1t13 h ALA 130 Cb -0.13 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1t13 h ALA 130 CO -0.07 1.14 -0.42 1.25 0.00 0.00 0.00 179.25 181.16 1t13 h HIS 131 N 0.08 0.07 0.00 0.00 6.17 -0.54 -1.97 115.15 118.96 1t13 h HIS 131 Ca -0.32 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 60.74 1t13 h HIS 131 Cb 2.06 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.97 1t13 h HIS 131 CO 0.08 0.47 0.00 0.74 0.71 0.00 0.00 177.93 179.93 1t13 h PHE 132 N 0.05 0.00 0.07 5.26 -1.00 -1.08 -0.04 116.94 120.19 1t13 h PHE 132 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1t13 h PHE 132 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1t13 h PHE 132 CO 0.00 0.00 -0.03 -0.22 -1.61 0.00 0.00 178.31 176.45 1t13 h LYS 133 N 0.00 -0.09 0.03 1.51 3.64 -1.53 -0.22 116.57 119.92 1t13 h LYS 133 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1t13 h LYS 133 Cb 0.21 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1t13 h LYS 133 CO 0.00 0.32 -0.24 0.28 -2.27 0.00 0.00 179.45 177.54 1t13 h VAL 134 N -0.53 0.45 -0.92 2.00 2.07 -1.13 -1.76 116.25 116.44 1t13 h VAL 134 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1t13 h VAL 134 Cb 0.45 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1t13 h VAL 134 CO 0.02 0.00 0.59 0.11 0.02 0.00 0.00 177.57 178.30 1t13 h LYS 135 N -0.39 0.81 -0.35 1.57 1.79 -1.05 0.08 116.57 119.02 1t13 h LYS 135 Ca 0.05 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1t13 h LYS 135 Cb 0.46 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1t13 h LYS 135 CO -0.19 0.53 0.04 0.78 -1.08 0.00 0.00 179.45 179.53 1t13 h GLY 136 N 0.83 0.56 0.71 3.86 0.00 -0.20 0.20 103.07 109.03 1t13 h GLY 136 Ca 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1t13 h GLY 136 CO -0.21 0.29 -0.12 -2.08 0.00 0.00 0.00 176.54 174.42 1t13 h VAL 137 N 0.51 0.81 -0.83 4.60 2.07 -0.29 -0.58 116.25 122.55 1t13 h VAL 137 Ca 0.11 -0.56 0.16 0.00 0.82 0.00 0.00 66.70 67.24 1t13 h VAL 137 Cb 0.26 1.12 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 1t13 h VAL 137 CO 0.00 0.12 0.38 -0.33 0.02 0.00 0.00 177.57 177.76 1t13 h GLU 138 N -0.63 0.49 -0.33 1.57 5.08 -0.84 0.48 114.58 120.40 1t13 h GLU 138 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1t13 h GLU 138 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1t13 h GLU 138 CO 0.06 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 178.42 1t13 h ALA 139 N 1.59 1.42 0.64 3.43 0.00 -0.40 -0.05 119.26 125.89 1t13 h ALA 139 Ca 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1t13 h ALA 139 Cb 0.74 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1t13 h ALA 139 CO -0.42 0.41 -0.31 0.00 0.00 0.00 0.00 179.25 178.94 1t13 h ALA 140 N 1.54 -1.04 -0.56 0.00 0.00 0.15 -2.02 119.26 117.33 1t13 h ALA 140 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1t13 h ALA 140 Cb 0.28 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1t13 h ALA 140 CO 0.01 -0.98 0.00 0.45 0.00 0.00 0.00 179.25 178.73 1t13 h HIS 141 N -1.00 -0.03 -0.54 0.00 -0.00 -1.02 -1.21 115.15 111.35 1t13 h HIS 141 Ca -0.09 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.40 1t13 h HIS 141 Cb 0.65 0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 28.10 1t13 h HIS 141 CO 0.04 -0.14 0.19 0.00 -0.00 0.00 0.00 177.93 178.02 1t13 h ALA 142 N 1.51 0.67 0.18 2.45 0.00 -1.01 0.44 119.26 123.48 1t13 h ALA 142 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1t13 h ALA 142 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1t13 h ALA 142 CO -0.48 -0.21 -0.10 0.00 0.00 0.00 0.00 179.25 178.46 1t13 h ALA 143 N 1.37 -0.26 -0.19 0.00 0.00 -0.48 0.42 119.26 120.11 1t13 h ALA 143 Ca 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1t13 h ALA 143 Cb 0.30 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1t13 h ALA 143 CO -0.27 -0.65 0.04 -0.07 0.00 0.00 0.00 179.25 178.30 1t13 h LEU 144 N -0.27 0.03 -0.43 0.00 3.38 -0.73 0.27 115.31 117.55 1t13 h LEU 144 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1t13 h LEU 144 Cb 0.22 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1t13 h LEU 144 CO 0.02 0.04 0.27 1.56 0.09 0.00 0.00 178.44 180.43 1t13 h GLN 145 N 0.12 0.58 -0.11 1.13 4.20 0.11 -0.43 115.11 120.73 1t13 h GLN 145 Ca 0.08 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1t13 h GLN 145 Cb 0.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1t13 h GLN 145 CO -0.10 0.41 -0.31 0.97 -0.67 0.00 0.00 178.83 179.13 1t13 h ILE 146 N 0.58 1.39 -0.82 2.54 6.09 0.09 0.80 117.51 128.18 1t13 h ILE 146 Ca 0.16 -1.63 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 1t13 h ILE 146 Cb -0.03 2.16 -0.04 0.00 0.47 0.00 0.00 36.82 39.38 1t13 h ILE 146 CO -0.03 0.48 0.46 0.58 -3.07 0.00 0.00 178.15 176.56 1t13 h VAL 147 N -0.04 1.24 0.43 2.19 2.07 -0.45 -0.31 116.25 121.37 1t13 h VAL 147 Ca -0.01 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1t13 h VAL 147 Cb 0.92 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1t13 h VAL 147 CO 0.07 0.26 -0.20 -1.28 0.02 0.00 0.00 177.57 176.43 1t13 h SER 148 N 1.14 -0.48 -0.51 0.57 0.87 -1.01 -2.84 113.55 111.29 1t13 h SER 148 Ca 0.29 -0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.87 1t13 h SER 148 Cb 0.01 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.02 1t13 h SER 148 CO -0.05 -0.21 0.08 -0.08 -0.53 0.00 0.00 176.83 176.04 1t13 h GLU 149 N -0.76 0.20 0.12 2.24 4.57 -0.46 -1.73 114.58 118.75 1t13 h GLU 149 Ca -0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1t13 h GLU 149 Cb 0.53 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1t13 h GLU 149 CO 0.10 0.13 -0.12 0.00 -1.18 0.00 0.00 179.01 177.94 1t13 h ARG 150 N 0.20 -0.26 -0.59 1.92 3.08 -1.08 -0.66 114.38 117.00 1t13 h ARG 150 Ca 0.26 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1t13 h ARG 150 Cb 0.37 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1t13 h ARG 150 CO -0.36 -0.17 0.39 0.66 -1.07 0.00 0.00 179.97 179.42 1t13 h SER 151 N -0.27 0.55 0.63 7.04 4.64 -1.28 -1.93 113.55 122.93 1t13 h SER 151 Ca 0.01 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1t13 h SER 151 Cb 0.26 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1t13 h SER 151 CO -0.04 0.37 -0.30 -0.09 -0.87 0.00 0.00 176.83 175.90 1t13 h ARG 152 N 0.63 -0.81 0.00 4.77 2.43 -0.66 -1.62 114.38 119.12 1t13 h ARG 152 Ca 0.25 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1t13 h ARG 152 Cb 0.19 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1t13 h ARG 152 CO -0.07 -0.49 0.00 0.44 -1.51 0.00 0.00 179.97 178.34 1t13 n ILE 153 N -5.37 0.04 -0.09 1.20 -5.35 -0.32 -1.33 119.36 108.15 1t13 n ILE 153 Ca -0.12 0.01 -0.18 0.00 -0.27 0.00 0.00 62.75 62.19 1t13 n ILE 153 Cb 0.36 -0.91 -0.13 0.00 -1.74 0.00 0.00 39.64 37.22 1t13 n ILE 153 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t13 n ALA 154 N -1.01 1.30 1.89 -1.28 0.00 -0.75 -5.08 120.51 115.58 1t13 n ALA 154 Ca 0.05 -0.98 0.16 0.00 0.00 0.00 0.00 53.44 52.66 1t13 n ALA 154 Cb 0.02 -0.27 0.86 0.00 0.00 0.00 0.00 19.45 20.06 1t13 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50