#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t39 n GLU 6 N 0.00 0.91 -2.68 0.00 4.71 -1.26 -4.90 120.64 117.41 1t39 n GLU 6 Ca 0.00 -0.09 -0.04 0.00 -0.01 0.00 0.00 57.16 57.02 1t39 n GLU 6 Cb 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1t39 n GLU 6 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1t39 n MET 7 N -2.32 -2.72 -3.75 3.49 2.81 -1.24 -4.90 117.12 108.49 1t39 n MET 7 Ca -0.13 2.31 -0.22 0.00 -1.81 0.00 0.00 57.70 57.85 1t39 n MET 7 Cb 0.70 -5.20 -0.04 0.00 -0.71 0.00 0.00 33.22 27.97 1t39 n MET 7 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t39 s LYS 8 N -1.99 2.53 -0.14 0.03 1.02 -0.61 -4.75 119.74 115.83 1t39 s LYS 8 Ca 0.12 -1.51 -0.02 0.00 0.02 0.00 0.00 55.97 54.58 1t39 s LYS 8 Cb -0.03 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1t39 s LYS 8 CO 0.72 -0.07 -0.09 1.03 -0.92 0.00 0.00 175.35 176.01 1t39 s ARG 9 N -4.04 3.50 -0.12 1.68 0.52 -1.26 -2.64 118.95 116.58 1t39 s ARG 9 Ca 0.44 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1t39 s ARG 9 Cb -0.03 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 32.72 1t39 s ARG 9 CO 0.26 0.24 -0.06 -0.08 0.02 0.00 0.00 175.30 175.68 1t39 s THR 10 N 0.32 0.99 0.52 0.02 -1.32 -1.26 -5.05 115.64 109.86 1t39 s THR 10 Ca -0.07 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1t39 s THR 10 Cb -0.15 -1.07 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1t39 s THR 10 CO 0.04 0.29 0.74 0.28 -2.21 0.00 0.00 174.62 173.77 1t39 s THR 11 N 1.71 3.05 0.06 5.08 -1.32 -1.26 -2.46 115.64 120.50 1t39 s THR 11 Ca 0.04 -0.63 -0.26 0.00 -1.21 0.00 0.00 61.69 59.63 1t39 s THR 11 Cb -0.13 -3.13 0.07 0.00 -1.51 0.00 0.00 72.50 67.79 1t39 s THR 11 CO -0.08 -0.09 0.61 -0.22 -2.21 0.00 0.00 174.62 172.63 1t39 s LEU 12 N -4.69 -0.51 -0.19 9.08 2.96 -1.24 -4.97 118.68 119.11 1t39 s LEU 12 Ca 0.55 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.67 1t39 s LEU 12 Cb -0.10 2.49 -0.05 0.00 0.50 0.00 0.00 46.19 49.03 1t39 s LEU 12 CO 0.38 -0.79 0.10 -0.62 -1.32 0.00 0.00 176.35 174.10 1t39 s ASP 13 N -2.03 5.96 0.16 3.68 -1.08 -1.26 -1.01 116.67 121.09 1t39 s ASP 13 Ca -0.05 0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.17 1t39 s ASP 13 Cb -0.01 -2.04 -0.05 0.00 -1.46 0.00 0.00 42.92 39.37 1t39 s ASP 13 CO -0.02 0.17 -0.02 -0.94 0.52 0.00 0.00 175.17 174.88 1t39 s SER 14 N 0.38 1.27 0.00 -0.34 1.04 -0.02 -4.98 113.70 111.06 1t39 s SER 14 Ca 0.06 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1t39 s SER 14 Cb -0.12 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1t39 s SER 14 CO -0.01 -0.53 0.67 -2.65 0.98 0.00 0.00 173.24 171.70 1t39 n PRO 15 N -0.21 0.01 -0.15 4.02 -0.02 -1.26 0.80 135.00 138.19 1t39 n PRO 15 Ca -0.08 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1t39 n PRO 15 Cb 0.63 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.76 1t39 n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1t39 n LEU 16 N -1.15 2.95 0.00 2.45 4.32 -1.26 -5.08 117.00 119.23 1t39 n LEU 16 Ca 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 56.01 54.44 1t39 n LEU 16 Cb 0.00 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1t39 n LEU 16 CO 0.00 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1t39 n GLY 17 N 0.99 -1.67 3.81 -0.72 0.00 0.24 -4.96 105.19 102.88 1t39 n GLY 17 Ca 0.14 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1t39 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t39 s LYS 18 N 0.00 3.74 -0.27 1.61 -0.14 -1.26 -0.84 119.74 122.60 1t39 s LYS 18 Ca 0.00 1.25 -0.01 0.00 -1.36 0.00 0.00 55.97 55.85 1t39 s LYS 18 Cb 0.00 -2.09 0.13 0.00 -1.68 0.00 0.00 37.83 34.19 1t39 s LYS 18 CO 0.00 -0.46 0.31 -0.48 -0.76 0.00 0.00 175.35 173.96 1t39 s LEU 19 N -3.76 -0.36 -0.30 3.17 2.34 -0.18 -3.08 118.68 116.51 1t39 s LEU 19 Ca 0.65 -0.43 -0.29 0.00 0.06 0.00 0.00 54.13 54.12 1t39 s LEU 19 Cb -0.15 0.68 -0.02 0.00 -0.56 0.00 0.00 46.19 46.14 1t39 s LEU 19 CO 0.25 -0.36 1.64 -0.70 -1.06 0.00 0.00 176.35 176.11 1t39 s GLU 20 N 2.41 3.59 -0.49 1.48 2.12 -0.61 -3.62 118.70 123.59 1t39 s GLU 20 Ca 0.10 1.44 -0.03 0.00 0.36 0.00 0.00 54.97 56.83 1t39 s GLU 20 Cb -0.14 -4.09 0.13 0.00 0.26 0.00 0.00 34.13 30.29 1t39 s GLU 20 CO -0.26 -1.54 0.29 -0.48 -0.54 0.00 0.00 175.26 172.74 1t39 s LEU 21 N 5.83 5.26 0.56 2.70 2.34 -1.03 -0.41 118.68 133.93 1t39 s LEU 21 Ca 0.72 -2.33 -0.07 0.00 0.06 0.00 0.00 54.13 52.52 1t39 s LEU 21 Cb -0.22 -1.84 -0.01 0.00 -0.56 0.00 0.00 46.19 43.56 1t39 s LEU 21 CO 0.31 -0.48 0.89 -0.94 -1.06 0.00 0.00 176.35 175.07 1t39 s SER 22 N 1.43 5.91 0.00 1.48 1.04 -1.10 -3.98 113.70 118.47 1t39 s SER 22 Ca 0.11 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1t39 s SER 22 Cb -0.22 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1t39 s SER 22 CO -0.04 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1t39 n GLY 23 N -2.52 3.05 3.50 7.32 0.00 -1.08 -1.16 105.19 114.29 1t39 n GLY 23 Ca 0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1t39 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t39 n GLU 25 N -2.48 0.31 0.08 0.00 2.13 -1.26 -2.06 120.64 117.37 1t39 n GLU 25 Ca 0.15 0.09 0.05 0.00 0.66 0.00 0.00 57.16 58.11 1t39 n GLU 25 Cb 0.53 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 1t39 n GLU 25 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1t39 h GLN 26 N 0.00 0.00 0.00 5.31 -0.00 -1.96 -3.43 115.11 115.02 1t39 h GLN 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1t39 h GLN 26 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1t39 h GLN 26 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 178.83 179.42 1t39 n GLY 27 N 1.28 -0.74 3.65 2.39 0.00 -0.87 -4.53 105.19 106.37 1t39 n GLY 27 Ca -0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1t39 n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t39 s LEU 28 N 0.00 4.12 -0.11 0.99 2.96 0.58 -1.66 118.68 125.57 1t39 s LEU 28 Ca 0.00 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1t39 s LEU 28 Cb 0.00 -3.18 -0.26 0.00 0.50 0.00 0.00 46.19 43.25 1t39 s LEU 28 CO 0.00 -0.46 0.42 1.57 -1.32 0.00 0.00 176.35 176.56 1t39 n HIS 29 N 5.66 1.22 -3.90 5.38 -0.00 -0.42 -2.21 115.22 120.96 1t39 n HIS 29 Ca 0.05 0.28 -0.11 0.00 -0.00 0.00 0.00 57.72 57.94 1t39 n HIS 29 Cb 0.48 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 1t39 n HIS 29 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1t39 s GLU 30 N -2.57 2.15 -0.39 1.57 2.12 -0.31 -4.81 118.70 116.46 1t39 s GLU 30 Ca -0.19 -1.55 -0.02 0.00 0.36 0.00 0.00 54.97 53.56 1t39 s GLU 30 Cb 0.07 0.57 0.22 0.00 0.26 0.00 0.00 34.13 35.24 1t39 s GLU 30 CO 0.78 -0.97 1.01 1.51 -0.54 0.00 0.00 175.26 177.05 1t39 n ILE 31 N -0.55 0.00 -3.03 -3.70 3.06 -1.21 -2.73 119.36 111.21 1t39 n ILE 31 Ca -0.05 -0.51 -0.40 0.00 -2.50 0.00 0.00 62.75 59.29 1t39 n ILE 31 Cb 0.60 0.79 -0.05 0.00 0.54 0.00 0.00 39.64 41.53 1t39 n ILE 31 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1t39 s LYS 32 N 0.84 4.45 -1.27 9.51 2.20 0.46 -4.47 119.74 131.46 1t39 s LYS 32 Ca 0.26 0.94 -0.15 0.00 -0.36 0.00 0.00 55.97 56.66 1t39 s LYS 32 Cb 0.11 -3.40 0.13 0.00 -1.51 0.00 0.00 37.83 33.15 1t39 s LYS 32 CO -0.10 0.18 1.63 1.28 -0.36 0.00 0.00 175.35 177.98 1t39 n LEU 33 N 3.31 5.33 -4.79 5.43 4.32 -1.26 -1.58 117.00 127.75 1t39 n LEU 33 Ca -0.02 -4.25 -0.32 0.00 -0.02 0.00 0.00 56.01 51.39 1t39 n LEU 33 Cb 0.51 -1.66 0.04 0.00 -1.62 0.00 0.00 43.42 40.69 1t39 n LEU 33 CO 0.47 0.59 0.72 -1.48 -1.22 0.00 0.00 177.39 176.47 1t39 s LEU 34 N 2.46 3.33 0.00 2.23 2.34 -1.18 -5.00 118.68 122.87 1t39 s LEU 34 Ca 0.47 1.86 0.00 0.00 0.06 0.00 0.00 54.13 56.52 1t39 s LEU 34 Cb 0.02 -4.53 0.00 0.00 -0.56 0.00 0.00 46.19 41.12 1t39 s LEU 34 CO 0.03 -1.52 0.00 0.61 -1.06 0.00 0.00 176.35 174.41 1t39 n GLY 35 N -1.00 0.00 0.57 -3.48 0.00 -1.26 -4.26 105.19 95.76 1t39 n GLY 35 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1t39 n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t39 n PRO 56 N -0.08 0.00 -0.27 1.61 -0.04 -1.26 -4.26 135.00 130.70 1t39 n PRO 56 Ca 0.00 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1t39 n PRO 56 Cb 0.00 -0.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 1t39 n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t39 n GLU 57 N -0.54 -0.24 0.03 0.54 2.13 -1.26 -2.45 120.64 118.85 1t39 n GLU 57 Ca 0.00 1.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.68 1t39 n GLU 57 Cb 0.19 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.34 1t39 n GLU 57 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1t39 h PRO 58 N 0.00 -0.56 -0.15 5.31 0.11 -1.84 0.88 132.00 135.75 1t39 h PRO 58 Ca 0.15 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.35 1t39 h PRO 58 Cb 0.31 0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 1t39 h PRO 58 CO -0.63 -0.37 -0.22 -0.07 -0.21 0.00 0.00 178.00 176.50 1t39 h LEU 59 N -0.58 -0.67 -1.48 2.35 4.07 -1.76 0.51 115.31 117.74 1t39 h LEU 59 Ca 0.02 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1t39 h LEU 59 Cb 0.64 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1t39 h LEU 59 CO -0.35 -0.26 0.00 0.24 -1.08 0.00 0.00 178.44 176.99 1t39 h MET 60 N -0.26 0.00 0.09 1.13 2.86 -1.45 0.47 114.93 117.77 1t39 h MET 60 Ca 0.11 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.46 1t39 h MET 60 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1t39 h MET 60 CO -0.30 0.00 -1.42 0.37 1.06 0.00 0.00 176.91 176.62 1t39 h GLN 61 N 0.00 0.18 -0.02 1.72 4.15 0.51 -2.91 115.11 118.74 1t39 h GLN 61 Ca 0.00 -0.31 -0.23 0.00 0.77 0.00 0.00 58.65 58.88 1t39 h GLN 61 Cb 0.37 0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1t39 h GLN 61 CO 0.00 1.04 -0.93 0.00 -1.93 0.00 0.00 178.83 177.01 1t39 h THR 63 N 0.30 1.08 0.13 0.00 2.02 -0.13 -1.10 112.91 115.21 1t39 h THR 63 Ca -0.08 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1t39 h THR 63 Cb 1.56 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1t39 h THR 63 CO 0.17 0.18 -0.06 0.00 0.37 0.00 0.00 175.52 176.17 1t39 h ALA 64 N 1.37 -0.18 -0.55 6.16 0.00 -1.50 -2.36 119.26 122.21 1t39 h ALA 64 Ca 0.35 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1t39 h ALA 64 Cb 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1t39 h ALA 64 CO -0.15 -0.56 0.20 2.35 0.00 0.00 0.00 179.25 181.09 1t39 h TRP 65 N -0.26 0.34 0.07 0.00 7.01 -1.37 0.70 115.95 122.44 1t39 h TRP 65 Ca -0.02 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.03 1t39 h TRP 65 Cb 0.21 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1t39 h TRP 65 CO -0.04 0.10 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.46 1t39 h LEU 66 N 0.38 -0.50 -1.99 0.65 3.38 -1.07 0.50 115.31 116.65 1t39 h LEU 66 Ca 0.27 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1t39 h LEU 66 Cb 0.30 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1t39 h LEU 66 CO -0.27 -0.25 -0.10 0.78 0.09 0.00 0.00 178.44 178.69 1t39 h ASN 67 N -0.33 0.00 0.08 -0.43 -0.26 -0.96 -0.73 115.58 112.95 1t39 h ASN 67 Ca 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1t39 h ASN 67 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1t39 h ASN 67 CO -0.12 0.10 -0.04 0.00 -1.06 0.00 0.00 177.43 176.31 1t39 h ALA 68 N 1.90 -0.10 -0.60 -0.83 0.00 0.58 0.11 119.26 120.31 1t39 h ALA 68 Ca -0.00 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1t39 h ALA 68 Cb 0.23 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1t39 h ALA 68 CO 0.01 -0.24 0.20 -0.92 0.00 0.00 0.00 179.25 178.31 1t39 h TYR 69 N -0.74 0.35 0.00 0.00 5.03 0.35 0.46 116.97 122.43 1t39 h TYR 69 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1t39 h TYR 69 Cb 0.58 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1t39 h TYR 69 CO 0.12 0.07 0.00 1.19 -1.32 0.00 0.00 178.16 178.22 1t39 n PHE 70 N -5.03 0.00 0.77 -3.82 3.01 -0.32 -3.34 117.46 108.74 1t39 n PHE 70 Ca 0.09 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.58 1t39 n PHE 70 Cb 0.28 -0.16 0.12 0.00 -0.01 0.00 0.00 39.48 39.71 1t39 n PHE 70 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1t39 n HIS 71 N -0.99 0.52 -2.64 1.38 8.25 0.37 -4.22 115.22 117.88 1t39 n HIS 71 Ca 0.00 -0.20 -0.02 0.00 -0.26 0.00 0.00 57.72 57.23 1t39 n HIS 71 Cb 0.00 -0.13 0.10 0.00 1.12 0.00 0.00 29.99 31.08 1t39 n HIS 71 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1t39 n GLN 72 N 0.21 1.04 0.08 -0.41 -0.06 0.14 -4.95 117.38 113.43 1t39 n GLN 72 Ca 0.09 -1.05 0.06 0.00 -2.00 0.00 0.00 57.00 54.09 1t39 n GLN 72 Cb 0.40 0.27 0.31 0.00 -4.06 0.00 0.00 30.24 27.16 1t39 n GLN 72 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1t39 n PRO 73 N -1.09 0.07 0.14 3.69 -0.04 -0.17 -2.46 135.00 135.14 1t39 n PRO 73 Ca -0.13 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1t39 n PRO 73 Cb 0.80 -1.73 0.34 0.00 -0.04 0.00 0.00 33.50 32.87 1t39 n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t39 n GLU 74 N -1.89 0.08 -2.72 0.54 4.71 -1.26 -3.01 120.64 117.09 1t39 n GLU 74 Ca -0.00 0.55 -0.07 0.00 -0.01 0.00 0.00 57.16 57.62 1t39 n GLU 74 Cb 0.04 -2.01 0.08 0.00 -1.01 0.00 0.00 31.44 28.53 1t39 n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1t39 n ALA 75 N -1.56 -1.59 0.19 0.62 0.00 -1.03 -4.99 120.51 112.14 1t39 n ALA 75 Ca -0.01 -1.18 0.06 0.00 0.00 0.00 0.00 53.44 52.31 1t39 n ALA 75 Cb 0.26 -1.69 0.28 0.00 0.00 0.00 0.00 19.45 18.30 1t39 n ALA 75 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1t39 h ILE 76 N 2.49 0.72 0.00 0.00 6.09 -1.69 -2.64 117.51 122.49 1t39 h ILE 76 Ca -0.16 -1.57 0.00 0.00 -1.37 0.00 0.00 64.86 61.76 1t39 h ILE 76 Cb 1.10 2.03 0.00 0.00 0.47 0.00 0.00 36.82 40.42 1t39 h ILE 76 CO 0.15 0.34 0.00 -0.62 -3.07 0.00 0.00 178.15 174.94 1t39 n GLU 77 N -3.37 0.15 0.00 2.19 1.02 -1.26 -2.41 120.64 116.96 1t39 n GLU 77 Ca 0.01 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1t39 n GLU 77 Cb 0.55 -1.69 0.60 0.00 -0.02 0.00 0.00 31.44 30.88 1t39 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1t39 n GLU 78 N -1.96 0.55 -4.94 3.49 1.02 -0.99 -4.63 120.64 113.18 1t39 n GLU 78 Ca 0.06 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1t39 n GLU 78 Cb 0.36 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.12 1t39 n GLU 78 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1t39 s PHE 79 N -2.19 2.65 0.25 -0.32 0.40 -1.01 -5.11 117.98 112.65 1t39 s PHE 79 Ca 0.28 -1.08 -0.30 0.00 -0.60 0.00 0.00 56.93 55.24 1t39 s PHE 79 Cb 0.14 -1.78 -0.10 0.00 0.51 0.00 0.00 43.02 41.80 1t39 s PHE 79 CO 0.27 -0.45 1.36 -1.25 0.70 0.00 0.00 175.22 175.84 1t39 s PRO 80 N 0.52 4.34 0.15 0.24 0.04 -1.26 -5.00 135.00 134.03 1t39 s PRO 80 Ca -0.13 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1t39 s PRO 80 Cb -0.17 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1t39 s PRO 80 CO 0.05 -0.29 0.88 0.08 0.04 0.00 0.00 177.00 177.75 1t39 s VAL 81 N -0.28 4.39 1.10 -0.36 1.01 -1.26 -4.83 120.40 120.18 1t39 s VAL 81 Ca 0.55 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 64.28 1t39 s VAL 81 Cb -0.39 -4.24 0.24 0.00 0.00 0.00 0.00 36.38 31.99 1t39 s VAL 81 CO 0.44 0.42 1.14 -2.16 0.00 0.00 0.00 175.10 174.95 1t39 s PRO 82 N -0.61 -0.45 0.14 2.72 0.04 -1.26 -5.01 135.00 130.58 1t39 s PRO 82 Ca 0.41 0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 1t39 s PRO 82 Cb -0.23 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1t39 s PRO 82 CO 0.28 -3.21 0.96 0.00 0.04 0.00 0.00 177.00 175.08 1t39 s ALA 83 N -3.17 3.27 -1.03 8.56 0.00 -1.26 -4.92 121.76 123.21 1t39 s ALA 83 Ca 0.70 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1t39 s ALA 83 Cb -0.11 -3.27 0.23 0.00 0.00 0.00 0.00 23.12 19.97 1t39 s ALA 83 CO 0.55 0.02 1.08 -0.51 0.00 0.00 0.00 175.76 176.90 1t39 s LEU 84 N -0.28 6.07 -0.77 0.00 1.43 -1.26 0.22 118.68 124.09 1t39 s LEU 84 Ca 0.46 -3.07 -0.23 0.00 -1.03 0.00 0.00 54.13 50.26 1t39 s LEU 84 Cb -0.24 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.79 1t39 s LEU 84 CO 0.31 -0.53 1.10 -2.28 0.23 0.00 0.00 176.35 175.17 1t39 s HIS 85 N 0.08 2.69 -0.27 0.29 5.65 -0.94 -4.74 115.29 118.06 1t39 s HIS 85 Ca 0.30 -0.68 -0.25 0.00 0.25 0.00 0.00 55.06 54.68 1t39 s HIS 85 Cb -0.08 -4.39 0.09 0.00 -1.18 0.00 0.00 32.58 27.02 1t39 s HIS 85 CO -0.07 -1.72 0.83 -1.58 -0.65 0.00 0.00 174.74 171.56 1t39 s HIS 86 N 4.14 -0.67 0.58 3.88 5.04 -1.26 -3.20 115.29 123.80 1t39 s HIS 86 Ca 0.29 1.62 0.32 0.00 -1.54 0.00 0.00 55.06 55.75 1t39 s HIS 86 Cb -0.11 0.31 1.33 0.00 0.04 0.00 0.00 32.58 34.15 1t39 s HIS 86 CO 0.05 -0.33 1.63 -1.35 -2.34 0.00 0.00 174.74 172.40 1t39 h PRO 87 N 4.63 0.00 0.00 2.88 0.11 -1.94 -0.32 132.00 137.36 1t39 h PRO 87 Ca -0.29 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 1t39 h PRO 87 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1t39 h PRO 87 CO 0.08 0.00 -0.72 -0.24 -0.21 0.00 0.00 178.00 176.91 1t39 h VAL 88 N 0.00 1.46 0.00 3.15 3.04 -1.95 -3.22 116.25 118.73 1t39 h VAL 88 Ca 0.46 -2.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1t39 h VAL 88 Cb 2.31 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 33.96 1t39 h VAL 88 CO -0.00 0.71 -1.38 0.49 -1.01 0.00 0.00 177.57 176.37 1t39 n PHE 89 N -3.60 0.46 -0.10 3.17 3.01 -0.17 -4.37 117.46 115.87 1t39 n PHE 89 Ca -0.01 0.13 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 1t39 n PHE 89 Cb 0.72 -0.68 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 1t39 n PHE 89 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1t39 h GLN 90 N 0.00 0.86 0.00 -1.08 4.20 -1.47 -3.46 115.11 114.16 1t39 h GLN 90 Ca 0.00 -0.43 -0.48 0.00 0.06 0.00 0.00 58.65 57.80 1t39 h GLN 90 Cb 0.94 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.78 1t39 h GLN 90 CO 0.00 1.07 0.01 0.94 -0.67 0.00 0.00 178.83 180.18 1t39 n GLN 91 N -4.06 0.30 -3.91 1.46 7.27 -1.23 -5.09 117.38 112.11 1t39 n GLN 91 Ca -0.02 -2.98 -0.35 0.00 0.07 0.00 0.00 57.00 53.72 1t39 n GLN 91 Cb 0.52 -0.42 -0.14 0.00 2.41 0.00 0.00 30.24 32.61 1t39 n GLN 91 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1t39 s GLU 92 N -4.85 2.86 0.22 3.69 2.56 -1.26 -4.93 118.70 116.98 1t39 s GLU 92 Ca 0.64 -0.97 0.02 0.00 0.00 0.00 0.00 54.97 54.65 1t39 s GLU 92 Cb -0.04 -3.09 -0.01 0.00 2.00 0.00 0.00 34.13 32.98 1t39 s GLU 92 CO 0.41 -0.43 0.25 0.45 -0.56 0.00 0.00 175.26 175.38 1t39 n SER 93 N 4.71 -0.67 0.00 -1.70 2.88 -1.26 -4.99 113.62 112.59 1t39 n SER 93 Ca -0.16 -2.30 -0.12 0.00 -1.33 0.00 0.00 58.87 54.96 1t39 n SER 93 Cb 0.47 1.36 -0.09 0.00 -0.75 0.00 0.00 64.21 65.20 1t39 n SER 93 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1t39 h PHE 94 N 1.67 -0.09 -1.13 0.66 3.57 -1.98 -2.89 116.94 116.75 1t39 h PHE 94 Ca -0.16 -0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.65 1t39 h PHE 94 Cb 0.76 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1t39 h PHE 94 CO 0.00 0.48 0.78 1.15 -2.23 0.00 0.00 178.31 178.49 1t39 h THR 95 N -0.77 0.44 0.00 4.41 2.02 -1.95 -0.45 112.91 116.61 1t39 h THR 95 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1t39 h THR 95 Cb 0.61 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1t39 h THR 95 CO 0.02 0.03 0.00 -1.14 0.37 0.00 0.00 175.52 174.79 1t39 n ARG 96 N -4.38 0.00 -0.09 6.66 3.00 -1.11 -1.97 116.66 118.78 1t39 n ARG 96 Ca 0.26 0.45 -0.09 0.00 -0.00 0.00 0.00 57.85 58.47 1t39 n ARG 96 Cb 1.10 -1.42 -0.03 0.00 0.00 0.00 0.00 32.46 32.11 1t39 n ARG 96 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1t39 h GLN 97 N 0.00 -0.29 -0.93 -0.14 1.08 -1.13 0.83 115.11 114.54 1t39 h GLN 97 Ca 0.00 0.02 0.27 0.00 -1.45 0.00 0.00 58.65 57.49 1t39 h GLN 97 Cb 0.00 0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 27.34 1t39 h GLN 97 CO 0.00 -0.19 0.28 0.28 -0.95 0.00 0.00 178.83 178.24 1t39 h VAL 98 N -0.30 0.23 -0.01 -0.54 2.07 -1.18 1.68 116.25 118.20 1t39 h VAL 98 Ca 0.15 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1t39 h VAL 98 Cb 0.55 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1t39 h VAL 98 CO -0.51 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 176.94 1t39 h LEU 99 N 0.17 0.11 -0.75 2.57 3.38 -0.52 -1.69 115.31 118.58 1t39 h LEU 99 Ca 0.61 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1t39 h LEU 99 Cb 1.32 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1t39 h LEU 99 CO -0.70 0.82 0.46 -0.25 0.09 0.00 0.00 178.44 178.86 1t39 h TRP 100 N -0.60 0.86 0.00 1.13 2.91 0.15 -0.94 115.95 119.46 1t39 h TRP 100 Ca -0.01 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 1t39 h TRP 100 Cb 0.83 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 1t39 h TRP 100 CO 0.17 0.46 -0.47 -0.22 -1.03 0.00 0.00 178.44 177.35 1t39 h LYS 101 N 0.87 0.00 0.00 2.65 1.63 0.23 -2.83 116.57 119.12 1t39 h LYS 101 Ca 0.32 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1t39 h LYS 101 Cb 0.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1t39 h LYS 101 CO -0.14 0.47 -0.30 1.25 -3.45 0.00 0.00 179.45 177.28 1t39 h LEU 102 N 0.00 0.00 -1.38 5.20 6.46 -0.18 -2.29 115.31 123.12 1t39 h LEU 102 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1t39 h LEU 102 Cb 1.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1t39 h LEU 102 CO 0.06 0.30 -0.08 0.00 -0.62 0.00 0.00 178.44 178.10 1t39 n LEU 103 N -4.08 2.05 -0.01 2.25 -0.00 -1.10 -3.70 117.00 112.42 1t39 n LEU 103 Ca -0.02 -0.94 0.08 0.00 -0.00 0.00 0.00 56.01 55.13 1t39 n LEU 103 Cb 0.35 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.66 1t39 n LEU 103 CO 0.37 0.38 -0.56 0.29 -0.00 0.00 0.00 177.39 177.86 1t39 n LYS 104 N 0.57 0.75 0.00 1.47 4.76 -1.07 -4.65 118.16 119.99 1t39 n LYS 104 Ca 0.08 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1t39 n LYS 104 Cb 0.36 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1t39 n LYS 104 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1t39 n VAL 105 N -1.92 0.00 -3.47 -0.18 0.31 -0.87 -4.88 118.33 107.31 1t39 n VAL 105 Ca -0.02 -0.06 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1t39 n VAL 105 Cb 0.38 0.53 -0.05 0.00 -0.91 0.00 0.00 33.84 33.79 1t39 n VAL 105 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1t39 s VAL 106 N -1.72 4.89 0.91 2.52 1.01 -1.24 -5.06 120.40 121.70 1t39 s VAL 106 Ca 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 61.98 59.24 1t39 s VAL 106 Cb 0.00 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.45 1t39 s VAL 106 CO 0.00 -0.96 1.22 -0.54 0.00 0.00 0.00 175.10 174.81 1t39 s LYS 107 N 0.16 1.14 0.11 2.72 1.02 -1.26 -4.66 119.74 118.96 1t39 s LYS 107 Ca 0.17 -0.05 -0.35 0.00 0.02 0.00 0.00 55.97 55.76 1t39 s LYS 107 Cb -0.15 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1t39 s LYS 107 CO -0.06 -2.13 1.57 0.34 -0.92 0.00 0.00 175.35 174.14 1t39 n PHE 108 N -3.65 2.13 0.00 3.18 7.35 -1.26 -2.03 117.46 123.18 1t39 n PHE 108 Ca 0.11 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1t39 n PHE 108 Cb 0.60 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.92 1t39 n PHE 108 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1t39 n GLY 109 N 3.37 2.53 3.44 7.13 0.00 -1.26 -5.03 105.19 115.38 1t39 n GLY 109 Ca 0.18 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1t39 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t39 n GLU 110 N 0.00 0.17 -4.14 1.61 1.02 -0.86 -4.97 120.64 113.47 1t39 n GLU 110 Ca 0.00 0.10 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 1t39 n GLU 110 Cb 0.00 -1.81 -0.12 0.00 -0.02 0.00 0.00 31.44 29.49 1t39 n GLU 110 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1t39 s VAL 111 N -2.01 0.79 -0.05 2.62 1.01 -1.26 -4.74 120.40 116.75 1t39 s VAL 111 Ca 0.63 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1t39 s VAL 111 Cb -0.32 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1t39 s VAL 111 CO 0.60 -0.24 0.23 -0.51 0.00 0.00 0.00 175.10 175.18 1t39 s ILE 112 N -1.18 0.04 0.42 2.22 2.07 -0.30 -5.01 121.20 119.45 1t39 s ILE 112 Ca -0.05 -0.30 -0.23 0.00 -1.41 0.00 0.00 60.65 58.67 1t39 s ILE 112 Cb -0.09 -0.43 -0.09 0.00 0.13 0.00 0.00 42.46 41.97 1t39 s ILE 112 CO 0.01 -0.16 1.03 -0.55 -1.91 0.00 0.00 174.94 173.35 1t39 s SER 113 N -0.61 6.71 0.20 4.50 0.15 -1.26 -0.62 113.70 122.77 1t39 s SER 113 Ca -0.07 1.95 -0.16 0.00 0.70 0.00 0.00 55.95 58.36 1t39 s SER 113 Cb -0.04 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 61.90 1t39 s SER 113 CO 0.02 -0.52 1.61 1.88 1.20 0.00 0.00 173.24 177.42 1t39 h TYR 114 N 2.22 -0.56 0.47 3.44 0.05 -1.84 -0.32 116.97 120.42 1t39 h TYR 114 Ca -0.49 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.33 1t39 h TYR 114 Cb 1.21 0.34 0.00 0.00 1.01 0.00 0.00 36.73 39.30 1t39 h TYR 114 CO 0.58 -0.32 -0.22 0.37 -1.05 0.00 0.00 178.16 177.52 1t39 h GLN 115 N -0.07 -0.60 -1.17 4.88 -0.00 -1.87 -2.18 115.11 114.09 1t39 h GLN 115 Ca 0.28 0.04 0.33 0.00 -0.00 0.00 0.00 58.65 59.30 1t39 h GLN 115 Cb 0.51 0.14 -0.07 0.00 0.00 0.00 0.00 27.48 28.06 1t39 h GLN 115 CO -0.67 -0.37 0.81 1.96 0.00 0.00 0.00 178.83 180.56 1t39 h GLN 116 N -0.69 0.12 -0.02 1.69 4.20 -1.49 0.43 115.11 119.35 1t39 h GLN 116 Ca -0.06 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1t39 h GLN 116 Cb 0.51 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1t39 h GLN 116 CO 0.11 0.08 -0.23 1.25 -0.67 0.00 0.00 178.83 179.37 1t39 h LEU 117 N 0.12 0.24 -1.97 1.46 5.85 -0.77 -2.91 115.31 117.32 1t39 h LEU 117 Ca 0.60 -0.72 0.26 0.00 0.84 0.00 0.00 57.88 58.86 1t39 h LEU 117 Cb 2.09 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1t39 h LEU 117 CO -0.12 0.92 0.68 0.00 -0.34 0.00 0.00 178.44 179.58 1t39 h ALA 118 N 0.32 2.81 0.23 1.25 0.00 0.42 0.69 119.26 124.98 1t39 h ALA 118 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1t39 h ALA 118 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1t39 h ALA 118 CO 0.05 -1.13 -0.11 0.00 0.00 0.00 0.00 179.25 178.05 1t39 h ALA 119 N 1.49 -0.31 -0.98 0.00 0.00 -1.09 -2.79 119.26 115.56 1t39 h ALA 119 Ca 0.42 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1t39 h ALA 119 Cb 1.77 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.59 1t39 h ALA 119 CO -0.00 -0.46 0.62 -0.07 0.00 0.00 0.00 179.25 179.33 1t39 h LEU 120 N -0.74 0.81 -0.79 0.00 3.38 0.40 0.21 115.31 118.58 1t39 h LEU 120 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1t39 h LEU 120 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1t39 h LEU 120 CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1t39 n ALA 121 N -2.36 2.57 0.00 1.53 0.00 0.58 -4.97 120.51 117.86 1t39 n ALA 121 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1t39 n ALA 121 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1t39 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t39 n GLY 122 N 0.41 0.98 3.49 0.00 0.00 0.75 -4.87 105.19 105.95 1t39 n GLY 122 Ca 0.03 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 1t39 n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t39 n ASN 123 N 0.53 1.84 0.14 1.61 5.15 -1.20 -4.28 115.26 119.04 1t39 n ASN 123 Ca 0.00 0.10 0.12 0.00 -0.60 0.00 0.00 54.58 54.20 1t39 n ASN 123 Cb 0.00 -1.29 0.24 0.00 -0.53 0.00 0.00 39.78 38.19 1t39 n ASN 123 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1t39 h PRO 124 N 14.44 0.00 -0.23 1.20 0.13 -1.84 -3.21 132.00 142.49 1t39 h PRO 124 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1t39 h PRO 124 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1t39 h PRO 124 CO 1.13 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.53 1t39 n LYS 125 N -2.60 1.45 -3.46 0.86 5.02 -1.26 -4.35 118.16 113.81 1t39 n LYS 125 Ca 0.04 -0.64 -0.27 0.00 -2.02 0.00 0.00 58.31 55.42 1t39 n LYS 125 Cb 0.48 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 1t39 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t39 n ALA 126 N 0.03 3.49 0.01 7.82 0.00 -1.21 -4.82 120.51 125.82 1t39 n ALA 126 Ca 0.06 -4.29 -0.22 0.00 0.00 0.00 0.00 53.44 48.99 1t39 n ALA 126 Cb 0.17 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 1t39 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t39 h ALA 127 N 4.49 0.31 -0.82 0.00 0.00 -1.85 -3.27 119.26 118.12 1t39 h ALA 127 Ca 0.17 -1.26 0.20 0.00 0.00 0.00 0.00 54.91 54.02 1t39 h ALA 127 Cb 0.75 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1t39 h ALA 127 CO 0.70 1.09 0.56 -0.09 0.00 0.00 0.00 179.25 181.50 1t39 h ARG 128 N -0.12 0.23 -0.02 0.00 2.43 -1.93 0.81 114.38 115.77 1t39 h ARG 128 Ca -0.38 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.59 1t39 h ARG 128 Cb 1.91 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 1t39 h ARG 128 CO 0.07 0.15 -0.82 0.00 -1.51 0.00 0.00 179.97 177.85 1t39 h ALA 129 N 1.62 0.56 0.00 2.80 0.00 -1.95 -2.07 119.26 120.21 1t39 h ALA 129 Ca 0.41 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1t39 h ALA 129 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t39 h ALA 129 CO -0.09 0.85 0.00 0.28 0.00 0.00 0.00 179.25 180.28 1t39 n VAL 130 N -3.73 1.09 -0.01 0.00 0.31 0.28 -0.58 118.33 115.68 1t39 n VAL 130 Ca -0.04 0.58 -0.01 0.00 -0.01 0.00 0.00 64.34 64.87 1t39 n VAL 130 Cb 0.77 -1.56 -0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1t39 n VAL 130 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1t39 h GLY 131 N 0.59 -0.06 1.01 2.92 0.00 -0.86 -1.06 103.07 105.62 1t39 h GLY 131 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1t39 h GLY 131 CO 0.00 -0.02 0.41 -1.33 0.00 0.00 0.00 176.54 175.60 1t39 h GLY 132 N -0.68 0.00 0.82 4.60 0.00 -1.36 0.80 103.07 107.26 1t39 h GLY 132 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1t39 h GLY 132 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.34 1t39 h ALA 133 N 1.47 0.28 -0.47 3.60 0.00 -0.85 -2.37 119.26 120.93 1t39 h ALA 133 Ca 0.15 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1t39 h ALA 133 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1t39 h ALA 133 CO -0.00 0.22 0.08 0.52 0.00 0.00 0.00 179.25 180.06 1t39 h MET 134 N 0.13 0.78 -0.18 0.00 2.86 0.19 -2.38 114.93 116.33 1t39 h MET 134 Ca 0.03 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1t39 h MET 134 Cb 0.76 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1t39 h MET 134 CO 0.05 0.79 -0.19 0.07 1.06 0.00 0.00 176.91 178.69 1t39 h ARG 135 N 0.65 0.30 0.00 1.72 0.11 -1.17 -0.06 114.38 115.92 1t39 h ARG 135 Ca 0.14 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1t39 h ARG 135 Cb 0.39 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1t39 h ARG 135 CO 0.01 0.49 0.00 0.41 0.10 0.00 0.00 179.97 180.98 1t39 n GLY 136 N -0.67 -0.65 3.62 0.08 0.00 -0.89 -4.69 105.19 101.99 1t39 n GLY 136 Ca -0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1t39 n GLY 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t39 s ASN 137 N -2.61 6.03 0.05 1.61 2.47 -0.04 -4.88 114.94 117.57 1t39 s ASN 137 Ca 0.09 1.66 -0.02 0.00 0.42 0.00 0.00 52.86 55.02 1t39 s ASN 137 Cb 0.07 -2.53 -0.27 0.00 -1.45 0.00 0.00 41.25 37.07 1t39 s ASN 137 CO 0.16 -1.54 1.03 1.55 -3.72 0.00 0.00 177.10 174.58 1t39 h PRO 138 N 12.34 0.22 -3.01 0.43 0.13 -1.88 -3.40 132.00 136.83 1t39 h PRO 138 Ca -0.37 -0.37 -0.74 0.00 -0.87 0.00 0.00 66.00 63.65 1t39 h PRO 138 Cb 1.18 0.14 -0.32 0.00 0.13 0.00 0.00 31.00 32.13 1t39 h PRO 138 CO 1.00 1.12 0.26 1.33 -0.23 0.00 0.00 178.00 181.48 1t39 n VAL 139 N -3.46 4.08 -1.28 1.56 0.24 -1.26 -3.28 118.33 114.94 1t39 n VAL 139 Ca -0.11 -5.50 -0.30 0.00 -2.04 0.00 0.00 64.34 56.39 1t39 n VAL 139 Cb 1.02 -2.25 0.13 0.00 -1.47 0.00 0.00 33.84 31.27 1t39 n VAL 139 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1t39 s PRO 140 N -2.10 1.42 0.00 7.34 0.04 -1.26 -0.98 135.00 139.46 1t39 s PRO 140 Ca 0.32 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1t39 s PRO 140 Cb 0.01 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1t39 s PRO 140 CO -0.01 -2.12 0.00 -0.89 0.04 0.00 0.00 177.00 174.03 1t39 n ILE 141 N -3.79 0.00 -0.03 0.56 5.41 -1.26 -4.27 119.36 115.98 1t39 n ILE 141 Ca 0.07 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.66 1t39 n ILE 141 Cb 0.55 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.36 1t39 n ILE 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1t39 h LEU 142 N 0.00 0.18 -7.82 1.39 5.85 -1.98 -3.36 115.31 109.56 1t39 h LEU 142 Ca 0.00 -0.89 -0.71 0.00 0.84 0.00 0.00 57.88 57.13 1t39 h LEU 142 Cb 0.00 -0.06 -0.33 0.00 0.37 0.00 0.00 40.66 40.65 1t39 h LEU 142 CO 0.00 1.04 -0.45 -0.63 -0.34 0.00 0.00 178.44 178.06 1t39 s ILE 143 N -2.69 3.70 -0.15 4.05 1.01 -0.16 -4.90 121.20 122.07 1t39 s ILE 143 Ca -0.17 -2.14 -0.29 0.00 0.00 0.00 0.00 60.65 58.05 1t39 s ILE 143 Cb -0.01 -3.47 -0.34 0.00 0.01 0.00 0.00 42.46 38.65 1t39 s ILE 143 CO 0.74 -0.76 1.61 -0.81 0.00 0.00 0.00 174.94 175.72 1t39 n PRO 144 N 4.49 0.01 0.00 2.79 -0.04 -1.26 -4.25 135.00 136.74 1t39 n PRO 144 Ca -0.02 -1.05 0.02 0.00 -0.04 0.00 0.00 63.50 62.42 1t39 n PRO 144 Cb 0.41 -2.63 0.15 0.00 -0.04 0.00 0.00 33.50 31.38 1t39 n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t39 h HIS 146 N 0.00 0.00 0.00 0.00 2.07 -1.96 -3.30 115.15 111.97 1t39 h HIS 146 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1t39 h HIS 146 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1t39 h HIS 146 CO 0.00 1.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.86 1t39 h ARG 147 N 0.00 0.00 -6.79 5.12 2.47 -1.75 -3.43 114.38 110.00 1t39 h ARG 147 Ca -0.28 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.92 1t39 h ARG 147 Cb 2.00 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 30.38 1t39 h ARG 147 CO 0.08 0.00 0.66 0.08 0.56 0.00 0.00 179.97 181.35 1t39 s VAL 148 N -3.78 2.87 -0.11 2.04 1.01 -1.24 -1.15 120.40 120.03 1t39 s VAL 148 Ca -0.01 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 1t39 s VAL 148 Cb 0.10 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1t39 s VAL 148 CO 0.48 0.16 0.40 0.68 0.00 0.00 0.00 175.10 176.82 1t39 s VAL 149 N -0.53 0.02 0.42 2.92 -7.23 0.20 -4.80 120.40 111.39 1t39 s VAL 149 Ca 0.53 -0.13 -0.23 0.00 -1.81 0.00 0.00 61.98 60.34 1t39 s VAL 149 Cb -0.39 -0.62 -0.11 0.00 0.56 0.00 0.00 36.38 35.82 1t39 s VAL 149 CO 0.46 -0.07 0.79 0.00 -0.31 0.00 0.00 175.10 175.97 1t39 h SER 151 N 1.17 0.00 0.01 0.00 0.02 -1.96 -2.94 113.55 109.85 1t39 h SER 151 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1t39 h SER 151 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1t39 h SER 151 CO 0.54 0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 174.94 1t39 n SER 152 N -4.00 0.00 0.00 3.07 3.41 -1.26 -4.78 113.62 110.06 1t39 n SER 152 Ca -0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1t39 n SER 152 Cb 0.32 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1t39 n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t39 n GLY 153 N -0.90 2.93 3.69 5.00 0.00 -1.11 -5.03 105.19 109.77 1t39 n GLY 153 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1t39 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t39 s ALA 154 N -2.44 3.68 -0.52 4.61 0.00 -1.26 -4.88 121.76 120.94 1t39 s ALA 154 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1t39 s ALA 154 Cb 0.00 -3.67 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 1t39 s ALA 154 CO 0.00 -1.03 2.86 0.28 0.00 0.00 0.00 175.76 177.87 1t39 n VAL 155 N 4.62 2.86 0.00 0.00 0.31 -1.26 -2.43 118.33 122.42 1t39 n VAL 155 Ca 0.15 -1.56 0.00 0.00 -0.01 0.00 0.00 64.34 62.92 1t39 n VAL 155 Cb 0.41 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1t39 n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t39 n GLY 156 N 3.02 0.00 2.39 2.92 0.00 -1.26 -4.92 105.19 107.34 1t39 n GLY 156 Ca 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 1t39 n GLY 156 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t39 n ASN 157 N 0.00 2.22 -3.60 1.61 5.03 -1.26 -5.02 115.26 114.24 1t39 n ASN 157 Ca 0.00 -2.23 -0.14 0.00 0.87 0.00 0.00 54.58 53.09 1t39 n ASN 157 Cb 0.00 0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 1t39 n ASN 157 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1t39 s TYR 158 N -1.78 -0.66 0.03 3.10 5.04 -1.26 -4.99 117.35 116.84 1t39 s TYR 158 Ca 0.17 1.46 -0.25 0.00 -2.44 0.00 0.00 57.07 56.01 1t39 s TYR 158 Cb -0.01 0.34 -0.18 0.00 0.35 0.00 0.00 41.96 42.46 1t39 s TYR 158 CO 0.11 -0.41 1.49 0.77 -1.34 0.00 0.00 175.55 176.17 1t39 h SER 159 N 4.10 -0.05 -0.20 4.32 0.02 -1.98 -3.23 113.55 116.54 1t39 h SER 159 Ca -0.27 -0.23 -0.20 0.00 -0.84 0.00 0.00 61.79 60.25 1t39 h SER 159 Cb 1.16 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 1t39 h SER 159 CO 0.17 0.20 -0.11 0.61 -1.14 0.00 0.00 176.83 176.57 1t39 n GLY 160 N -0.45 3.17 0.41 -3.77 0.00 -1.26 -4.88 105.19 98.40 1t39 n GLY 160 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1t39 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t39 n GLY 161 N 1.83 -3.70 0.36 -0.02 0.00 -1.22 -4.35 105.19 98.10 1t39 n GLY 161 Ca 0.32 -0.85 0.19 0.00 0.00 0.00 0.00 46.02 45.68 1t39 n GLY 161 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t39 h LEU 162 N 0.64 0.00 -0.66 0.99 6.46 -1.90 -1.82 115.31 119.02 1t39 h LEU 162 Ca 0.00 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.88 1t39 h LEU 162 Cb 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1t39 h LEU 162 CO 0.00 0.00 0.20 0.00 -0.62 0.00 0.00 178.44 178.02 1t39 h ALA 163 N 1.68 0.85 -0.62 1.25 0.00 -1.96 -1.34 119.26 119.12 1t39 h ALA 163 Ca 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1t39 h ALA 163 Cb 0.83 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1t39 h ALA 163 CO -0.00 -0.26 0.23 0.28 0.00 0.00 0.00 179.25 179.50 1t39 h VAL 164 N 0.34 1.22 -0.69 0.00 2.07 -1.52 -1.98 116.25 115.70 1t39 h VAL 164 Ca 0.35 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1t39 h VAL 164 Cb 0.52 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1t39 h VAL 164 CO -0.40 0.29 0.30 0.50 0.02 0.00 0.00 177.57 178.28 1t39 h LYS 165 N 0.90 0.99 0.46 1.57 3.64 -1.36 -1.26 116.57 121.51 1t39 h LYS 165 Ca 0.21 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1t39 h LYS 165 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1t39 h LYS 165 CO -0.02 0.79 -0.24 0.93 -2.27 0.00 0.00 179.45 178.64 1t39 h GLU 166 N 0.98 -0.62 -0.66 1.90 4.39 -0.85 -0.79 114.58 118.93 1t39 h GLU 166 Ca 0.24 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.11 1t39 h GLU 166 Cb 0.14 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 28.81 1t39 h GLU 166 CO -0.03 -0.42 -0.14 2.35 -1.16 0.00 0.00 179.01 179.62 1t39 h TRP 167 N -0.65 -0.30 0.64 4.33 7.01 -1.34 0.40 115.95 126.05 1t39 h TRP 167 Ca -0.06 0.06 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1t39 h TRP 167 Cb 0.50 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1t39 h TRP 167 CO 0.08 -0.27 -0.49 -0.07 -2.79 0.00 0.00 178.44 174.90 1t39 h LEU 168 N 0.02 -1.30 -0.56 0.65 3.38 -1.16 1.09 115.31 117.43 1t39 h LEU 168 Ca 0.32 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.49 1t39 h LEU 168 Cb 0.50 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1t39 h LEU 168 CO -0.66 -0.70 -0.06 -0.07 0.09 0.00 0.00 178.44 177.04 1t39 h LEU 169 N -1.09 -0.37 0.13 1.67 3.38 -0.49 -0.08 115.31 118.45 1t39 h LEU 169 Ca -0.08 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1t39 h LEU 169 Cb 0.91 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1t39 h LEU 169 CO 0.02 -0.14 -0.37 0.00 0.09 0.00 0.00 178.44 178.04 1t39 h ALA 170 N 1.54 -0.90 -0.72 1.53 0.00 0.32 -1.17 119.26 119.86 1t39 h ALA 170 Ca 0.28 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.31 1t39 h ALA 170 Cb 0.44 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1t39 h ALA 170 CO -0.53 -0.98 0.56 1.25 0.00 0.00 0.00 179.25 179.55 1t39 h HIS 171 N -0.56 0.00 0.00 0.00 -0.00 0.21 1.13 115.15 115.94 1t39 h HIS 171 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1t39 h HIS 171 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1t39 h HIS 171 CO -0.37 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 177.95 1t39 n GLU 172 N -4.16 0.04 0.00 5.26 1.02 -0.13 -4.91 120.64 117.75 1t39 n GLU 172 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1t39 n GLU 172 Cb 0.83 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1t39 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t39 n GLY 173 N 1.46 0.77 3.26 0.62 0.00 0.39 -4.64 105.19 107.05 1t39 n GLY 173 Ca 0.08 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1t39 n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t39 s HIS 174 N -1.54 0.86 0.00 1.61 3.76 -1.09 -4.96 115.29 113.93 1t39 s HIS 174 Ca 0.00 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 1t39 s HIS 174 Cb 0.00 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.32 1t39 s HIS 174 CO 0.00 -0.66 0.00 0.54 -0.85 0.00 0.00 174.74 173.77