#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c39 s LYS 4 N 0.00 2.11 0.33 3.44 -0.14 -1.26 -5.15 119.74 119.07 1c39 s LYS 4 Ca 0.00 -1.91 -0.16 0.00 -1.36 0.00 0.00 55.97 52.54 1c39 s LYS 4 Cb 0.00 -1.86 0.06 0.00 -1.68 0.00 0.00 37.83 34.35 1c39 s LYS 4 CO 0.00 -0.05 0.80 -2.37 -0.76 0.00 0.00 175.35 172.98 1c39 n THR 5 N -1.10 0.00 -1.95 2.17 5.66 -1.26 -4.92 114.28 112.88 1c39 n THR 5 Ca -0.03 -0.85 -0.41 0.00 -3.05 0.00 0.00 64.05 59.71 1c39 n THR 5 Cb 0.65 0.90 -0.01 0.00 -1.55 0.00 0.00 70.33 70.31 1c39 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c39 s ASP 7 N -0.26 4.28 0.31 0.00 2.15 -0.40 -4.99 116.67 117.76 1c39 s ASP 7 Ca 0.52 -0.23 0.04 0.00 0.43 0.00 0.00 52.55 53.31 1c39 s ASP 7 Cb -0.43 -1.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.64 1c39 s ASP 7 CO 0.57 0.21 0.46 -0.76 -0.17 0.00 0.00 175.17 175.47 1c39 s LEU 8 N 0.12 4.09 0.26 -1.34 1.43 -1.26 -1.64 118.68 120.34 1c39 s LEU 8 Ca -0.05 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1c39 s LEU 8 Cb -0.14 -2.92 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 1c39 s LEU 8 CO 0.04 -0.29 1.34 0.54 0.23 0.00 0.00 176.35 178.21 1c39 s VAL 9 N -2.15 2.91 0.00 -1.59 0.11 -1.26 -4.83 120.40 113.59 1c39 s VAL 9 Ca 0.40 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1c39 s VAL 9 Cb -0.09 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1c39 s VAL 9 CO 0.32 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1c39 n GLY 10 N 1.79 2.41 3.79 6.54 0.00 -1.26 -4.62 105.19 113.84 1c39 n GLY 10 Ca 0.04 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1c39 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c39 s GLU 11 N -3.63 2.77 0.24 1.61 2.02 -1.26 -4.77 118.70 115.68 1c39 s GLU 11 Ca 0.00 1.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.87 1c39 s GLU 11 Cb 0.00 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.15 1c39 s GLU 11 CO 0.00 -1.25 1.68 0.15 0.02 0.00 0.00 175.26 175.86 1c39 s LYS 12 N -4.53 4.12 0.00 1.61 3.01 -1.26 -1.36 119.74 121.33 1c39 s LYS 12 Ca 0.63 2.60 0.00 0.00 -1.01 0.00 0.00 55.97 58.19 1c39 s LYS 12 Cb -0.17 -3.05 0.00 0.00 -1.01 0.00 0.00 37.83 33.60 1c39 s LYS 12 CO 0.48 -0.71 0.00 0.41 0.51 0.00 0.00 175.35 176.03 1c39 n GLY 13 N 3.29 2.09 0.88 -3.33 0.00 -1.26 -4.86 105.19 101.99 1c39 n GLY 13 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1c39 n GLY 13 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c39 n LYS 14 N -0.24 1.50 -3.51 1.61 2.85 -0.46 -5.05 118.16 114.86 1c39 n LYS 14 Ca 0.00 -3.17 -0.27 0.00 -1.05 0.00 0.00 58.31 53.82 1c39 n LYS 14 Cb 0.00 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 32.94 1c39 n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1c39 s GLU 15 N -2.78 3.54 0.01 -1.58 2.02 -1.21 -4.64 118.70 114.06 1c39 s GLU 15 Ca 0.38 -0.24 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 1c39 s GLU 15 Cb 0.38 -2.73 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 1c39 s GLU 15 CO -0.08 0.28 1.71 0.45 0.02 0.00 0.00 175.26 177.64 1c39 s SER 16 N -3.42 6.61 0.44 -0.19 0.15 -1.26 -4.86 113.70 111.17 1c39 s SER 16 Ca 0.40 2.40 0.15 0.00 0.70 0.00 0.00 55.95 59.60 1c39 s SER 16 Cb -0.10 -2.54 0.97 0.00 -1.71 0.00 0.00 66.02 62.63 1c39 s SER 16 CO 0.31 -0.93 1.96 -0.33 1.20 0.00 0.00 173.24 175.45 1c39 h GLU 17 N 9.28 0.00 0.16 5.44 4.39 -1.98 -0.47 114.58 131.39 1c39 h GLU 17 Ca -0.42 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1c39 h GLU 17 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1c39 h GLU 17 CO 0.94 0.22 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.71 1c39 h LYS 18 N 0.00 -0.20 -0.37 2.33 1.63 -1.99 -1.04 116.57 116.92 1c39 h LYS 18 Ca -0.00 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1c39 h LYS 18 Cb 0.39 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1c39 h LYS 18 CO 0.03 -0.03 0.14 0.93 -3.45 0.00 0.00 179.45 177.07 1c39 h GLU 19 N -0.34 0.56 -0.80 1.90 5.08 -1.71 -1.74 114.58 117.54 1c39 h GLU 19 Ca -0.02 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1c39 h GLU 19 Cb 0.27 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1c39 h GLU 19 CO 0.04 0.55 0.40 -0.07 -1.00 0.00 0.00 179.01 178.93 1c39 h LEU 20 N 0.46 0.50 -0.64 1.33 3.38 -1.01 -0.37 115.31 118.95 1c39 h LEU 20 Ca 0.12 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1c39 h LEU 20 Cb 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1c39 h LEU 20 CO -0.01 0.24 -0.16 0.00 0.09 0.00 0.00 178.44 178.60 1c39 h ALA 21 N 1.51 0.84 -0.60 1.53 0.00 -0.91 -2.83 119.26 118.80 1c39 h ALA 21 Ca 0.42 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1c39 h ALA 21 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1c39 h ALA 21 CO -0.33 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.57 1c39 h LEU 22 N 0.79 0.96 -0.42 0.00 3.38 -0.22 -2.18 115.31 117.62 1c39 h LEU 22 Ca 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1c39 h LEU 22 Cb 0.69 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1c39 h LEU 22 CO 0.05 0.97 0.25 -0.07 0.09 0.00 0.00 178.44 179.73 1c39 h LEU 23 N 0.93 0.51 -1.22 1.67 3.38 -1.00 -2.09 115.31 117.49 1c39 h LEU 23 Ca 0.18 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1c39 h LEU 23 Cb 0.45 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1c39 h LEU 23 CO 0.02 0.43 0.54 0.11 0.09 0.00 0.00 178.44 179.62 1c39 h LYS 24 N 0.55 1.01 -0.13 1.13 1.57 -1.28 -1.04 116.57 118.37 1c39 h LYS 24 Ca 0.15 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1c39 h LYS 24 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1c39 h LYS 24 CO -0.03 0.67 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.41 1c39 h ARG 25 N 1.04 0.18 -0.10 3.15 2.43 -0.75 -1.84 114.38 118.49 1c39 h ARG 25 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1c39 h ARG 25 Cb -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1c39 h ARG 25 CO -0.08 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 1c39 n LEU 26 N -4.41 1.62 -0.30 3.80 4.77 -0.43 -4.47 117.00 117.60 1c39 n LEU 26 Ca -0.01 -0.62 0.13 0.00 -0.03 0.00 0.00 56.01 55.48 1c39 n LEU 26 Cb 0.17 -0.06 0.28 0.00 -2.33 0.00 0.00 43.42 41.48 1c39 n LEU 26 CO 0.36 0.31 0.95 0.74 -1.33 0.00 0.00 177.39 178.42 1c39 h THR 27 N 2.32 0.34 -0.31 -5.08 2.02 -0.98 -0.69 112.91 110.53 1c39 h THR 27 Ca 0.00 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1c39 h THR 27 Cb 0.50 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1c39 h THR 27 CO 0.00 0.04 0.34 -0.65 0.37 0.00 0.00 175.52 175.62 1c39 h PRO 28 N 0.23 0.00 0.00 6.66 0.11 -1.82 -1.41 132.00 135.76 1c39 h PRO 28 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1c39 h PRO 28 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c39 h PRO 28 CO -0.63 0.00 -0.42 1.28 -0.21 0.00 0.00 178.00 178.01 1c39 n LEU 29 N -3.75 0.66 -0.34 2.35 4.77 -0.27 -4.26 117.00 116.16 1c39 n LEU 29 Ca 0.05 0.30 0.14 0.00 -0.03 0.00 0.00 56.01 56.47 1c39 n LEU 29 Cb 0.49 -0.24 0.35 0.00 -2.33 0.00 0.00 43.42 41.69 1c39 n LEU 29 CO 0.27 -0.06 1.20 -0.26 -1.33 0.00 0.00 177.39 177.21 1c39 h PHE 30 N 0.00 0.99 -0.16 -1.77 -1.00 -1.32 -0.99 116.94 112.70 1c39 h PHE 30 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1c39 h PHE 30 Cb 0.70 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1c39 h PHE 30 CO 0.00 0.22 0.00 0.00 -1.61 0.00 0.00 178.31 176.92 1c39 n GLN 31 N -4.72 1.51 -3.98 1.51 10.64 -1.26 -4.68 117.38 116.39 1c39 n GLN 31 Ca 0.23 -0.77 -0.23 0.00 -1.83 0.00 0.00 57.00 54.39 1c39 n GLN 31 Cb 0.60 -1.29 -0.03 0.00 -0.86 0.00 0.00 30.24 28.66 1c39 n GLN 31 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1c39 s LYS 32 N -1.79 3.37 -0.02 2.61 1.02 -0.38 -5.12 119.74 119.44 1c39 s LYS 32 Ca 0.25 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1c39 s LYS 32 Cb 0.13 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1c39 s LYS 32 CO 0.19 0.47 -0.14 0.45 -0.92 0.00 0.00 175.35 175.39 1c39 s SER 33 N -3.62 1.71 -0.02 2.83 0.15 -1.26 -4.59 113.70 108.91 1c39 s SER 33 Ca 0.34 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.78 1c39 s SER 33 Cb -0.10 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1c39 s SER 33 CO 0.28 0.17 -0.20 -0.36 1.20 0.00 0.00 173.24 174.33 1c39 s PHE 34 N -0.25 1.76 0.02 3.44 0.40 -0.63 -5.00 117.98 117.71 1c39 s PHE 34 Ca 0.04 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1c39 s PHE 34 Cb -0.06 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1c39 s PHE 34 CO -0.00 -0.03 0.08 -2.00 0.70 0.00 0.00 175.22 173.96 1c39 s GLU 35 N -0.45 0.48 -0.28 0.44 -6.30 -1.26 -0.19 118.70 111.15 1c39 s GLU 35 Ca 0.07 -0.58 -0.15 0.00 -2.50 0.00 0.00 54.97 51.80 1c39 s GLU 35 Cb -0.08 0.19 0.09 0.00 0.00 0.00 0.00 34.13 34.33 1c39 s GLU 35 CO -0.01 -0.11 0.71 0.45 0.02 0.00 0.00 175.26 176.32 1c39 s SER 36 N -1.68 -0.93 -0.18 -1.70 0.15 -0.79 -4.91 113.70 103.66 1c39 s SER 36 Ca -0.11 1.46 -0.06 0.00 0.70 0.00 0.00 55.95 57.94 1c39 s SER 36 Cb -0.06 1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 1c39 s SER 36 CO -0.01 -0.23 0.03 -0.89 1.20 0.00 0.00 173.24 173.34 1c39 s THR 37 N 1.73 4.47 0.23 6.45 2.01 -1.26 -0.87 115.64 128.40 1c39 s THR 37 Ca -0.10 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1c39 s THR 37 Cb -0.06 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1c39 s THR 37 CO -0.19 0.47 0.20 0.68 -0.69 0.00 0.00 174.62 175.08 1c39 s VAL 38 N 0.42 0.00 0.00 3.82 -7.23 -0.35 -4.99 120.40 112.07 1c39 s VAL 38 Ca 0.01 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1c39 s VAL 38 Cb -0.13 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1c39 s VAL 38 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1c39 n GLY 39 N -0.34 -0.55 3.21 2.32 0.00 -1.26 -1.21 105.19 107.36 1c39 n GLY 39 Ca 0.02 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1c39 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c39 s GLN 40 N -1.41 1.21 0.42 1.61 -0.21 -1.26 -4.68 119.66 115.33 1c39 s GLN 40 Ca 0.00 -0.89 -0.23 0.00 0.02 0.00 0.00 55.36 54.26 1c39 s GLN 40 Cb 0.00 -1.29 -0.12 0.00 1.00 0.00 0.00 33.01 32.60 1c39 s GLN 40 CO 0.00 0.33 0.76 0.43 -2.12 0.00 0.00 175.29 174.68 1c39 n SER 41 N 1.82 0.08 -0.44 5.90 7.64 -1.26 -0.93 113.62 126.42 1c39 n SER 41 Ca -0.18 0.97 0.07 0.00 1.01 0.00 0.00 58.87 60.75 1c39 n SER 41 Cb 0.54 -1.22 0.28 0.00 -1.01 0.00 0.00 64.21 62.80 1c39 n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1c39 n PRO 42 N 0.37 1.56 -1.23 1.43 -0.04 -1.26 -4.86 135.00 130.97 1c39 n PRO 42 Ca 0.11 -0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 62.42 1c39 n PRO 42 Cb 0.39 -1.29 0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1c39 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1c39 n ASP 43 N 0.13 6.36 -4.69 3.54 8.00 -0.11 -4.81 116.55 124.97 1c39 n ASP 43 Ca 0.12 -3.63 -0.40 0.00 0.71 0.00 0.00 54.79 51.59 1c39 n ASP 43 Cb 0.24 -0.94 -0.05 0.00 -0.02 0.00 0.00 41.12 40.35 1c39 n ASP 43 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1c39 s MET 44 N -3.40 4.34 0.10 -1.24 1.75 -1.20 -4.07 119.30 115.59 1c39 s MET 44 Ca 0.58 0.86 0.06 0.00 -1.25 0.00 0.00 55.69 55.95 1c39 s MET 44 Cb 0.46 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 34.59 1c39 s MET 44 CO 0.02 -0.12 -0.16 0.71 -0.65 0.00 0.00 175.02 174.82 1c39 s TYR 45 N 1.46 1.45 -0.20 4.11 4.12 -0.35 -1.97 117.35 125.96 1c39 s TYR 45 Ca 0.36 -0.49 -0.02 0.00 0.02 0.00 0.00 57.07 56.94 1c39 s TYR 45 Cb -0.17 -0.78 0.00 0.00 -1.52 0.00 0.00 41.96 39.49 1c39 s TYR 45 CO 0.15 0.14 -0.10 0.45 0.02 0.00 0.00 175.55 176.20 1c39 s SER 46 N -2.10 3.86 -0.21 2.29 0.15 0.12 -1.21 113.70 116.59 1c39 s SER 46 Ca 0.05 -0.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 1c39 s SER 46 Cb -0.08 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1c39 s SER 46 CO 0.03 -0.00 0.08 -0.31 1.20 0.00 0.00 173.24 174.24 1c39 s TYR 47 N 1.36 3.20 -0.16 3.44 1.51 -0.05 -0.25 117.35 126.39 1c39 s TYR 47 Ca 0.05 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1c39 s TYR 47 Cb -0.14 -2.17 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1c39 s TYR 47 CO -0.06 -0.03 -0.13 0.08 -1.11 0.00 0.00 175.55 174.29 1c39 s VAL 48 N 0.92 2.83 -0.05 0.71 1.01 -0.62 -1.89 120.40 123.31 1c39 s VAL 48 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1c39 s VAL 48 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1c39 s VAL 48 CO 0.03 0.50 -0.22 0.12 0.00 0.00 0.00 175.10 175.53 1c39 s PHE 49 N 0.88 2.49 -0.00 5.22 5.36 0.74 -1.33 117.98 131.34 1c39 s PHE 49 Ca -0.03 -0.47 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 1c39 s PHE 49 Cb -0.15 -1.59 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 1c39 s PHE 49 CO -0.01 -0.05 0.01 1.03 -1.46 0.00 0.00 175.22 174.75 1c39 s ARG 50 N -0.43 0.08 -0.46 10.12 1.81 -0.19 -1.61 118.95 128.26 1c39 s ARG 50 Ca 0.05 -0.09 -0.19 0.00 -1.72 0.00 0.00 55.73 53.77 1c39 s ARG 50 Cb -0.12 0.03 0.04 0.00 -0.45 0.00 0.00 34.95 34.45 1c39 s ARG 50 CO 0.01 -0.01 0.60 0.08 -0.68 0.00 0.00 175.30 175.30 1c39 s VAL 51 N -0.27 4.90 -1.83 3.52 1.01 -1.26 -4.34 120.40 122.12 1c39 s VAL 51 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1c39 s VAL 51 Cb -0.02 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1c39 s VAL 51 CO -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 175.10 174.44 1c39 s ARG 53 N -4.62 0.56 0.06 0.00 1.81 -1.26 -4.27 118.95 111.23 1c39 s ARG 53 Ca 0.00 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 52.96 1c39 s ARG 53 Cb 0.00 0.22 -0.09 0.00 -0.45 0.00 0.00 34.95 34.63 1c39 s ARG 53 CO 0.00 -0.14 1.93 -2.00 -0.68 0.00 0.00 175.30 174.42 1c39 s GLU 54 N -2.51 4.14 -0.01 3.54 2.56 -1.26 -4.49 118.70 120.66 1c39 s GLU 54 Ca -0.06 2.62 0.19 0.00 0.00 0.00 0.00 54.97 57.72 1c39 s GLU 54 Cb -0.02 -4.00 -0.24 0.00 2.00 0.00 0.00 34.13 31.87 1c39 s GLU 54 CO -0.04 -0.93 0.64 0.00 -0.56 0.00 0.00 175.26 174.37 1c39 n ALA 55 N 7.01 3.72 -2.10 6.30 0.00 0.30 -4.96 120.51 130.79 1c39 n ALA 55 Ca 0.19 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 1c39 n ALA 55 Cb 0.40 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.19 1c39 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c39 s GLY 56 N -3.37 1.85 -0.49 0.00 0.00 -1.26 -4.79 107.32 99.27 1c39 s GLY 56 Ca 0.01 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.20 1c39 s GLY 56 CO 0.78 -1.38 1.64 0.61 0.00 0.00 0.00 173.10 174.75 1c39 n GLN 57 N -1.90 3.13 -0.02 2.90 10.64 -1.26 -4.41 117.38 126.46 1c39 n GLN 57 Ca 0.06 -3.70 0.00 0.00 -1.83 0.00 0.00 57.00 51.53 1c39 n GLN 57 Cb 0.59 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1c39 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1c39 n HIS 58 N -0.82 0.00 -4.01 2.61 8.25 -1.26 -5.04 115.22 114.95 1c39 n HIS 58 Ca 0.54 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.68 1c39 n HIS 58 Cb 0.81 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.98 1c39 n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1c39 n SER 59 N 0.00 -4.31 -0.16 0.41 7.64 -1.26 -4.85 113.62 111.08 1c39 n SER 59 Ca 0.00 -0.85 0.14 0.00 1.01 0.00 0.00 58.87 59.17 1c39 n SER 59 Cb 0.51 -3.53 0.60 0.00 -1.01 0.00 0.00 64.21 60.78 1c39 n SER 59 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c39 n SER 60 N -2.78 0.60 -0.25 6.43 7.64 -1.26 -4.89 113.62 119.11 1c39 n SER 60 Ca 0.05 -0.74 -0.02 0.00 1.01 0.00 0.00 58.87 59.17 1c39 n SER 60 Cb 0.52 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1c39 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c39 n GLY 61 N 1.25 0.35 3.72 0.23 0.00 -1.26 -5.02 105.19 104.46 1c39 n GLY 61 Ca 0.15 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1c39 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c39 s ALA 62 N -2.18 3.22 -0.16 4.61 0.00 -1.26 -2.57 121.76 123.43 1c39 s ALA 62 Ca 0.00 0.46 0.22 0.00 0.00 0.00 0.00 51.96 52.65 1c39 s ALA 62 Cb -0.00 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.73 1c39 s ALA 62 CO 0.01 -0.14 0.78 0.41 0.00 0.00 0.00 175.76 176.82 1c39 n GLY 63 N 2.74 -1.24 3.31 0.00 0.00 0.12 -0.54 105.19 109.57 1c39 n GLY 63 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1c39 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c39 s LEU 64 N -4.92 -0.21 0.21 0.99 0.20 -1.14 -1.02 118.68 112.79 1c39 s LEU 64 Ca -0.04 0.96 0.08 0.00 0.69 0.00 0.00 54.13 55.83 1c39 s LEU 64 Cb 0.12 1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 47.29 1c39 s LEU 64 CO 0.85 -0.20 -0.16 0.68 -0.29 0.00 0.00 176.35 177.23 1c39 s VAL 65 N 1.48 1.84 -0.17 1.68 -7.23 -0.44 -1.51 120.40 116.05 1c39 s VAL 65 Ca -0.09 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1c39 s VAL 65 Cb -0.08 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.85 1c39 s VAL 65 CO -0.14 -0.53 -0.12 -1.58 -0.31 0.00 0.00 175.10 172.42 1c39 s GLN 66 N -3.49 2.19 -0.24 4.82 0.74 0.62 -1.59 119.66 122.71 1c39 s GLN 66 Ca 0.22 -0.70 -0.09 0.00 0.05 0.00 0.00 55.36 54.84 1c39 s GLN 66 Cb -0.02 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 1c39 s GLN 66 CO 0.08 -0.33 0.11 0.42 -0.55 0.00 0.00 175.29 175.02 1c39 s ILE 67 N 1.44 4.82 -0.52 -2.34 1.01 0.66 -0.31 121.20 125.95 1c39 s ILE 67 Ca 0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1c39 s ILE 67 Cb -0.14 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.11 1c39 s ILE 67 CO -0.10 0.35 1.13 -1.58 0.00 0.00 0.00 174.94 174.74 1c39 s GLN 68 N 1.28 3.59 0.57 2.79 0.74 -0.22 -0.70 119.66 127.72 1c39 s GLN 68 Ca 0.06 0.35 0.30 0.00 0.05 0.00 0.00 55.36 56.11 1c39 s GLN 68 Cb -0.14 -3.96 1.45 0.00 1.10 0.00 0.00 33.01 31.45 1c39 s GLN 68 CO 0.05 -1.50 1.86 0.87 -0.55 0.00 0.00 175.29 176.02 1c39 h LYS 69 N 9.36 0.00 -0.01 1.67 1.79 -1.73 0.33 116.57 127.97 1c39 h LYS 69 Ca -0.24 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1c39 h LYS 69 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1c39 h LYS 69 CO 1.14 0.00 -0.06 0.66 -1.08 0.00 0.00 179.45 180.12 1c39 h SER 70 N 0.00 0.07 -0.10 0.86 4.64 -1.87 -3.38 113.55 113.77 1c39 h SER 70 Ca 0.30 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1c39 h SER 70 Cb 1.45 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1c39 h SER 70 CO -0.00 0.71 0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 1c39 n ASN 71 N -4.71 2.03 -0.39 4.97 6.94 -1.11 -4.98 115.26 118.02 1c39 n ASN 71 Ca -0.09 -1.59 -0.05 0.00 -0.02 0.00 0.00 54.58 52.83 1c39 n ASN 71 Cb 0.36 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.69 1c39 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1c39 n GLY 72 N 0.34 0.62 3.67 4.83 0.00 0.11 -4.94 105.19 109.82 1c39 n GLY 72 Ca 0.06 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1c39 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c39 s LYS 73 N -2.02 4.21 -0.20 1.61 2.20 -1.23 -4.72 119.74 119.59 1c39 s LYS 73 Ca 0.00 2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.54 1c39 s LYS 73 Cb 0.00 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1c39 s LYS 73 CO 0.00 -0.75 0.31 -2.00 -0.36 0.00 0.00 175.35 172.55 1c39 s GLU 74 N 3.45 4.18 -0.09 4.03 2.12 -1.26 -1.05 118.70 130.08 1c39 s GLU 74 Ca 0.68 0.06 0.04 0.00 0.36 0.00 0.00 54.97 56.11 1c39 s GLU 74 Cb -0.32 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 1c39 s GLU 74 CO 0.27 0.07 -0.22 0.99 -0.54 0.00 0.00 175.26 175.83 1c39 s THR 75 N 0.98 2.31 -0.24 -1.70 2.01 0.57 -4.96 115.64 114.62 1c39 s THR 75 Ca 0.16 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 1c39 s THR 75 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1c39 s THR 75 CO 0.06 0.56 0.92 -0.69 -0.69 0.00 0.00 174.62 174.78 1c39 s VAL 76 N 0.07 4.76 -0.01 3.82 1.01 -1.26 -0.28 120.40 128.51 1c39 s VAL 76 Ca -0.09 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1c39 s VAL 76 Cb -0.15 -4.20 -0.27 0.00 0.00 0.00 0.00 36.38 31.75 1c39 s VAL 76 CO 0.06 -0.13 0.79 0.58 0.00 0.00 0.00 175.10 176.40 1c39 h VAL 77 N 5.45 1.07 -1.81 2.92 2.07 -1.61 0.32 116.25 124.65 1c39 h VAL 77 Ca -0.21 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.56 1c39 h VAL 77 Cb 1.08 2.69 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 1c39 h VAL 77 CO 0.92 0.79 0.33 -0.83 0.02 0.00 0.00 177.57 178.80 1c39 s GLY 78 N -5.04 -0.43 -0.09 2.17 0.00 -1.18 -2.12 107.32 100.63 1c39 s GLY 78 Ca -0.10 1.76 -0.01 0.00 0.00 0.00 0.00 44.72 46.37 1c39 s GLY 78 CO 0.84 1.15 -0.03 0.50 0.00 0.00 0.00 173.10 175.56 1c39 s ARG 79 N -0.86 3.04 0.00 2.90 0.52 -0.02 -0.71 118.95 123.83 1c39 s ARG 79 Ca -0.05 -0.47 0.22 0.00 -0.52 0.00 0.00 55.73 54.90 1c39 s ARG 79 Cb -0.01 -2.75 1.23 0.00 0.52 0.00 0.00 34.95 33.94 1c39 s ARG 79 CO 0.05 0.60 1.68 1.97 0.02 0.00 0.00 175.30 179.62 1c39 n PHE 80 N 2.43 0.00 1.56 -0.53 1.16 -1.06 -2.29 117.46 118.73 1c39 n PHE 80 Ca -0.18 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.54 1c39 n PHE 80 Cb 0.53 -0.10 0.61 0.00 -1.61 0.00 0.00 39.48 38.92 1c39 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1c39 n ASN 81 N -1.10 0.98 -3.27 5.98 6.94 -1.26 -1.27 115.26 122.26 1c39 n ASN 81 Ca 0.14 -1.19 -0.25 0.00 -0.02 0.00 0.00 54.58 53.26 1c39 n ASN 81 Cb 0.11 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 1c39 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1c39 n GLU 82 N -0.33 1.45 -4.10 -3.83 1.02 -0.97 -4.40 120.64 109.48 1c39 n GLU 82 Ca 0.19 -3.80 -0.33 0.00 -0.02 0.00 0.00 57.16 53.20 1c39 n GLU 82 Cb 0.29 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 1c39 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1c39 s THR 83 N -1.77 4.69 0.01 2.62 2.01 -0.65 -1.22 115.64 121.32 1c39 s THR 83 Ca 0.37 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1c39 s THR 83 Cb 0.17 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1c39 s THR 83 CO -0.07 0.33 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.53 1c39 s GLN 84 N -1.81 0.55 -0.21 4.92 0.74 -0.38 -4.15 119.66 119.32 1c39 s GLN 84 Ca 0.24 -0.41 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 1c39 s GLN 84 Cb -0.12 -0.48 0.06 0.00 1.10 0.00 0.00 33.01 33.57 1c39 s GLN 84 CO 0.15 0.12 0.54 -1.50 -0.55 0.00 0.00 175.29 174.05 1c39 s ILE 85 N -0.53 -0.01 0.21 -2.34 2.07 -1.26 -0.74 121.20 118.60 1c39 s ILE 85 Ca -0.01 0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.11 1c39 s ILE 85 Cb -0.05 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1c39 s ILE 85 CO 0.00 0.01 0.47 0.72 -1.91 0.00 0.00 174.94 174.23 1c39 s PHE 86 N 0.92 0.13 0.07 3.50 -0.12 -0.87 -4.66 117.98 116.95 1c39 s PHE 86 Ca -0.05 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.34 1c39 s PHE 86 Cb -0.05 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1c39 s PHE 86 CO -0.08 -0.91 -0.04 1.14 -0.05 0.00 0.00 175.22 175.28 1c39 s GLN 87 N -3.94 0.71 0.00 1.99 -2.07 -1.26 -0.42 119.66 114.66 1c39 s GLN 87 Ca 0.15 -1.27 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1c39 s GLN 87 Cb -0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1c39 s GLN 87 CO 0.02 -0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 1c39 n GLY 88 N 0.05 5.97 0.21 2.60 0.00 0.09 -4.99 105.19 109.11 1c39 n GLY 88 Ca -0.13 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 1c39 n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1c39 h SER 89 N 0.00 -0.40 -0.42 1.61 0.02 -2.02 -3.35 113.55 108.99 1c39 h SER 89 Ca 0.00 -0.04 -0.30 0.00 -0.84 0.00 0.00 61.79 60.62 1c39 h SER 89 Cb 0.00 0.10 -0.37 0.00 0.14 0.00 0.00 62.40 62.27 1c39 h SER 89 CO 0.00 -0.22 -0.97 -0.46 -1.14 0.00 0.00 176.83 174.05 1c39 n ASN 90 N -5.26 2.45 -3.60 3.07 6.94 -1.26 -3.71 115.26 113.88 1c39 n ASN 90 Ca -0.10 -2.68 -0.12 0.00 -0.02 0.00 0.00 54.58 51.66 1c39 n ASN 90 Cb 0.23 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 1c39 n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1c39 s TRP 91 N -3.12 -0.31 -0.02 -2.53 1.48 -1.21 -1.57 118.94 111.65 1c39 s TRP 91 Ca 0.36 0.18 0.01 0.00 -1.06 0.00 0.00 56.10 55.59 1c39 s TRP 91 Cb 0.36 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.99 1c39 s TRP 91 CO -0.04 -0.67 -0.02 0.42 -4.06 0.00 0.00 176.95 172.59 1c39 s ILE 92 N -3.07 0.26 -0.15 0.66 1.01 -0.22 -0.74 121.20 118.96 1c39 s ILE 92 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1c39 s ILE 92 Cb 0.00 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1c39 s ILE 92 CO -0.07 0.14 -0.10 -0.32 0.00 0.00 0.00 174.94 174.59 1c39 s MET 93 N 0.65 3.46 -0.09 2.79 1.75 0.44 -0.53 119.30 127.77 1c39 s MET 93 Ca -0.07 -0.63 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1c39 s MET 93 Cb -0.10 -2.75 -0.02 0.00 2.84 0.00 0.00 34.83 34.80 1c39 s MET 93 CO -0.01 0.17 -0.17 -1.17 -0.65 0.00 0.00 175.02 173.19 1c39 s LEU 94 N 0.48 2.51 -0.05 4.11 2.96 -0.23 -2.05 118.68 126.41 1c39 s LEU 94 Ca -0.07 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1c39 s LEU 94 Cb -0.15 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1c39 s LEU 94 CO 0.04 0.24 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.56 1c39 s ILE 95 N -0.08 1.05 -0.19 6.68 1.01 0.08 -0.23 121.20 129.52 1c39 s ILE 95 Ca -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1c39 s ILE 95 Cb -0.14 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1c39 s ILE 95 CO 0.04 0.33 -0.12 -0.31 0.00 0.00 0.00 174.94 174.88 1c39 s TYR 96 N 0.52 2.86 0.14 3.97 4.12 -0.20 -1.25 117.35 127.51 1c39 s TYR 96 Ca -0.11 -1.20 0.02 0.00 0.02 0.00 0.00 57.07 55.80 1c39 s TYR 96 Cb -0.14 -2.00 0.02 0.00 -1.52 0.00 0.00 41.96 38.32 1c39 s TYR 96 CO 0.03 -0.62 0.13 1.63 0.02 0.00 0.00 175.55 176.74 1c39 n LYS 97 N 4.58 1.17 -2.17 -0.62 5.02 -0.36 -0.77 118.16 125.00 1c39 n LYS 97 Ca -0.19 -0.85 -0.09 0.00 -2.02 0.00 0.00 58.31 55.15 1c39 n LYS 97 Cb 0.51 0.05 -0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1c39 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c39 n GLY 98 N 3.28 -0.00 3.05 0.72 0.00 -1.24 -0.84 105.19 110.16 1c39 n GLY 98 Ca 0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1c39 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c39 n GLY 99 N -1.01 -1.50 3.76 -0.02 0.00 -0.45 -4.21 105.19 101.76 1c39 n GLY 99 Ca -0.11 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1c39 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c39 s ASP 100 N -4.81 5.76 0.41 1.61 1.01 0.10 -3.61 116.67 117.12 1c39 s ASP 100 Ca 0.60 2.50 -0.25 0.00 0.71 0.00 0.00 52.55 56.11 1c39 s ASP 100 Cb -0.02 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 1c39 s ASP 100 CO 0.42 -1.22 1.15 -1.61 0.21 0.00 0.00 175.17 174.13 1c39 s GLU 101 N -2.81 4.03 0.61 8.23 2.02 -1.26 -1.46 118.70 128.06 1c39 s GLU 101 Ca 0.67 1.79 -0.15 0.00 0.02 0.00 0.00 54.97 57.31 1c39 s GLU 101 Cb -0.34 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1c39 s GLU 101 CO 0.40 -0.32 1.05 0.71 0.02 0.00 0.00 175.26 177.12 1c39 s TYR 102 N -1.46 3.04 -0.16 1.61 2.02 -0.58 -4.90 117.35 116.92 1c39 s TYR 102 Ca 0.58 1.49 0.05 0.00 -0.37 0.00 0.00 57.07 58.82 1c39 s TYR 102 Cb -0.29 -2.97 -0.14 0.00 -0.40 0.00 0.00 41.96 38.16 1c39 s TYR 102 CO 0.37 -1.09 -0.09 -0.25 -1.57 0.00 0.00 175.55 172.92 1c39 n ASP 103 N -2.24 2.25 -0.62 2.29 10.43 -1.26 -4.34 116.55 123.06 1c39 n ASP 103 Ca 0.08 -0.06 0.06 0.00 2.57 0.00 0.00 54.79 57.44 1c39 n ASP 103 Cb 0.53 0.11 0.11 0.00 1.84 0.00 0.00 41.12 43.71 1c39 n ASP 103 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1c39 n ASN 104 N -2.85 1.41 -3.90 -2.24 4.13 -1.26 -4.80 115.26 105.76 1c39 n ASN 104 Ca -0.29 -2.90 -0.09 0.00 1.68 0.00 0.00 54.58 52.98 1c39 n ASN 104 Cb 0.88 -0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1c39 n ASN 104 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1c39 s HIS 105 N -1.82 0.26 -1.05 3.10 3.76 -1.26 -4.96 115.29 113.32 1c39 s HIS 105 Ca 0.28 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 1c39 s HIS 105 Cb 0.28 -0.03 0.07 0.00 1.11 0.00 0.00 32.58 34.01 1c39 s HIS 105 CO -0.05 -0.66 0.33 0.00 -0.85 0.00 0.00 174.74 173.52 1c39 n GLY 107 N -0.95 -0.04 2.54 0.00 0.00 -1.23 -2.35 105.19 103.16 1c39 n GLY 107 Ca -0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1c39 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c39 n ARG 108 N -2.73 -1.48 -1.31 1.61 1.74 -0.26 -4.97 116.66 109.25 1c39 n ARG 108 Ca -0.22 1.16 -0.29 0.00 -0.77 0.00 0.00 57.85 57.73 1c39 n ARG 108 Cb 0.66 -5.60 0.14 0.00 -1.02 0.00 0.00 32.46 26.64 1c39 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1c39 s GLU 109 N -4.07 1.09 0.37 5.56 -1.05 -0.99 -4.04 118.70 115.56 1c39 s GLU 109 Ca 0.00 0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 55.15 1c39 s GLU 109 Cb 0.00 -1.81 -0.09 0.00 -0.44 0.00 0.00 34.13 31.79 1c39 s GLU 109 CO 0.00 -2.29 1.12 -0.65 0.95 0.00 0.00 175.26 174.39 1c39 s GLN 110 N -5.05 4.24 0.86 -4.83 -0.21 -1.26 -1.52 119.66 111.89 1c39 s GLN 110 Ca 0.64 1.74 -0.11 0.00 0.02 0.00 0.00 55.36 57.65 1c39 s GLN 110 Cb -0.17 -2.78 0.11 0.00 1.00 0.00 0.00 33.01 31.17 1c39 s GLN 110 CO 0.56 -0.13 1.09 1.03 -2.12 0.00 0.00 175.29 175.72 1c39 s ARG 111 N -2.13 1.53 -0.01 2.91 0.52 -0.54 -4.70 118.95 116.54 1c39 s ARG 111 Ca 0.54 0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 56.59 1c39 s ARG 111 Cb -0.29 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1c39 s ARG 111 CO 0.36 -2.10 0.31 -0.98 0.02 0.00 0.00 175.30 172.92 1c39 s ARG 112 N -4.89 0.67 -0.11 3.54 1.70 -0.90 -1.34 118.95 117.61 1c39 s ARG 112 Ca 0.63 -0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.71 1c39 s ARG 112 Cb -0.18 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 1c39 s ARG 112 CO 0.57 -0.18 -0.15 0.00 -1.08 0.00 0.00 175.30 174.46 1c39 s ALA 113 N -1.32 2.57 -0.18 7.88 0.00 0.05 -1.42 121.76 129.34 1c39 s ALA 113 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1c39 s ALA 113 Cb -0.05 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1c39 s ALA 113 CO 0.04 0.30 -0.18 0.08 0.00 0.00 0.00 175.76 176.01 1c39 s VAL 114 N 0.17 2.30 -0.21 0.00 1.01 -0.12 -1.04 120.40 122.52 1c39 s VAL 114 Ca -0.08 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1c39 s VAL 114 Cb -0.15 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1c39 s VAL 114 CO 0.05 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 1c39 s VAL 115 N 1.21 2.36 -0.34 2.92 1.01 0.67 -0.79 120.40 127.44 1c39 s VAL 115 Ca 0.02 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1c39 s VAL 115 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1c39 s VAL 115 CO -0.09 0.36 0.39 -0.32 0.00 0.00 0.00 175.10 175.45 1c39 s MET 116 N 1.28 3.62 -0.33 2.72 1.75 -0.22 -1.06 119.30 127.05 1c39 s MET 116 Ca 0.02 -0.32 -0.09 0.00 -1.25 0.00 0.00 55.69 54.04 1c39 s MET 116 Cb -0.15 -3.79 0.01 0.00 2.84 0.00 0.00 34.83 33.74 1c39 s MET 116 CO -0.09 -0.52 0.15 0.42 -0.65 0.00 0.00 175.02 174.33 1c39 s ILE 117 N 2.10 4.43 0.09 10.11 1.01 0.31 -1.52 121.20 137.73 1c39 s ILE 117 Ca 0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1c39 s ILE 117 Cb -0.16 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1c39 s ILE 117 CO 0.12 -0.05 0.33 -0.44 0.00 0.00 0.00 174.94 174.90 1c39 s SER 118 N 1.56 6.49 0.17 3.58 0.01 0.13 -1.05 113.70 124.59 1c39 s SER 118 Ca 0.03 0.56 -0.31 0.00 1.31 0.00 0.00 55.95 57.55 1c39 s SER 118 Cb -0.18 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 63.88 1c39 s SER 118 CO 0.05 0.13 1.39 0.00 0.41 0.00 0.00 173.24 175.23 1c39 s ASN 120 N 0.76 0.00 0.00 0.00 3.84 -1.05 -4.82 114.94 113.67 1c39 s ASN 120 Ca 0.62 -0.65 0.01 0.00 0.21 0.00 0.00 52.86 53.06 1c39 s ASN 120 Cb -0.38 1.24 0.05 0.00 -0.55 0.00 0.00 41.25 41.61 1c39 s ASN 120 CO 0.35 -0.30 1.04 0.54 -2.79 0.00 0.00 177.10 175.94 1c39 n ARG 121 N 4.96 0.00 0.01 0.43 1.74 -1.26 -2.36 116.66 120.18 1c39 n ARG 121 Ca 0.05 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.73 1c39 n ARG 121 Cb 0.50 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.77 1c39 n ARG 121 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1c39 n HIS 122 N -1.50 0.11 -3.81 -1.55 8.25 -1.26 -4.90 115.22 110.56 1c39 n HIS 122 Ca 0.00 0.03 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1c39 n HIS 122 Cb 0.01 -0.38 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 1c39 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1c39 s THR 123 N -3.03 0.05 0.17 1.59 -1.32 -1.00 -5.03 115.64 107.07 1c39 s THR 123 Ca 0.11 -0.38 0.04 0.00 -1.21 0.00 0.00 61.69 60.24 1c39 s THR 123 Cb 0.17 -0.46 -0.14 0.00 -1.51 0.00 0.00 72.50 70.56 1c39 s THR 123 CO 0.66 -0.21 1.40 0.25 -2.21 0.00 0.00 174.62 174.51 1c39 h LEU 124 N 4.66 0.21 -6.72 9.08 5.85 -1.89 0.29 115.31 126.80 1c39 h LEU 124 Ca -0.29 -0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.41 1c39 h LEU 124 Cb 1.19 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 41.90 1c39 h LEU 124 CO 0.38 0.97 0.27 0.00 -0.34 0.00 0.00 178.44 179.72 1c39 s ALA 125 N -3.23 -2.51 0.03 1.25 0.00 -1.26 -3.89 121.76 112.16 1c39 s ALA 125 Ca -0.02 2.13 -0.28 0.00 0.00 0.00 0.00 51.96 53.78 1c39 s ALA 125 Cb 0.10 -1.90 0.09 0.00 0.00 0.00 0.00 23.12 21.41 1c39 s ALA 125 CO 0.82 -0.71 1.02 0.34 0.00 0.00 0.00 175.76 177.23 1c39 s ASP 126 N 2.03 -0.22 -1.16 0.00 3.68 -0.47 -5.00 116.67 115.54 1c39 s ASP 126 Ca -0.05 -0.18 -0.04 0.00 2.13 0.00 0.00 52.55 54.41 1c39 s ASP 126 Cb -0.05 0.36 0.00 0.00 -1.45 0.00 0.00 42.92 41.78 1c39 s ASP 126 CO -0.17 -0.63 0.99 0.59 0.13 0.00 0.00 175.17 176.09 1c39 n ASN 127 N -0.35 -4.00 -4.69 -0.34 3.02 -1.26 -0.74 115.26 106.90 1c39 n ASN 127 Ca -0.07 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 1c39 n ASN 127 Cb 0.61 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 1c39 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1c39 s PHE 128 N -3.31 2.70 -0.11 3.10 2.19 -1.26 -4.19 117.98 117.10 1c39 s PHE 128 Ca 0.26 0.63 -0.05 0.00 0.33 0.00 0.00 56.93 58.10 1c39 s PHE 128 Cb -0.12 -3.78 0.05 0.00 -1.31 0.00 0.00 43.02 37.87 1c39 s PHE 128 CO 0.66 -3.00 0.24 1.21 1.83 0.00 0.00 175.22 176.17 1c39 s ASN 129 N 2.06 0.08 -0.24 6.13 3.04 0.29 -4.79 114.94 121.51 1c39 s ASN 129 Ca 0.68 0.54 -0.29 0.00 0.04 0.00 0.00 52.86 53.82 1c39 s ASN 129 Cb -0.35 0.52 -0.02 0.00 -1.54 0.00 0.00 41.25 39.86 1c39 s ASN 129 CO 0.29 -0.20 1.57 -2.84 -3.04 0.00 0.00 177.10 172.88 1c39 s PRO 130 N 1.83 3.80 -0.15 0.43 0.02 -1.26 -0.68 135.00 138.99 1c39 s PRO 130 Ca -0.04 1.58 -0.24 0.00 0.02 0.00 0.00 61.00 62.33 1c39 s PRO 130 Cb -0.11 -4.02 -0.24 0.00 0.02 0.00 0.00 34.50 30.15 1c39 s PRO 130 CO -0.08 -1.29 0.55 0.28 -0.33 0.00 0.00 177.00 176.13 1c39 h VAL 131 N 6.14 1.34 -1.82 3.83 2.07 -1.19 -3.48 116.25 123.14 1c39 h VAL 131 Ca -0.32 -2.31 0.30 0.00 0.82 0.00 0.00 66.70 65.18 1c39 h VAL 131 Cb 1.14 2.87 -0.09 0.00 -1.52 0.00 0.00 31.29 33.69 1c39 h VAL 131 CO 1.01 0.53 0.78 -0.94 0.02 0.00 0.00 177.57 178.97 1c39 s SER 132 N -6.63 -0.05 -0.07 0.57 1.04 -1.13 -5.01 113.70 102.41 1c39 s SER 132 Ca -0.22 -0.24 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 1c39 s SER 132 Cb 0.02 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1c39 s SER 132 CO 0.68 -0.44 -0.04 -0.70 0.98 0.00 0.00 173.24 173.71 1c39 s GLU 133 N -2.40 1.02 -0.49 4.02 2.12 -1.26 -0.67 118.70 121.03 1c39 s GLU 133 Ca 0.18 -0.10 -0.17 0.00 0.36 0.00 0.00 54.97 55.25 1c39 s GLU 133 Cb 0.02 -1.14 0.07 0.00 0.26 0.00 0.00 34.13 33.34 1c39 s GLU 133 CO -0.01 -0.20 0.48 -2.00 -0.54 0.00 0.00 175.26 172.99 1c39 s GLU 134 N 1.49 3.03 -0.08 4.30 2.56 0.18 -4.87 118.70 125.32 1c39 s GLU 134 Ca -0.01 -1.18 0.12 0.00 0.00 0.00 0.00 54.97 53.89 1c39 s GLU 134 Cb -0.13 -4.12 0.18 0.00 2.00 0.00 0.00 34.13 32.06 1c39 s GLU 134 CO -0.04 -1.10 1.08 2.89 -0.56 0.00 0.00 175.26 177.52 1c39 n ARG 135 N 5.57 1.00 -0.77 4.30 1.85 -1.26 -1.99 116.66 125.36 1c39 n ARG 135 Ca -0.10 -2.00 -0.01 0.00 -1.00 0.00 0.00 57.85 54.74 1c39 n ARG 135 Cb 0.44 -1.15 0.25 0.00 -1.05 0.00 0.00 32.46 30.95 1c39 n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1c39 n GLY 136 N -0.93 4.19 3.62 2.89 0.00 -1.26 -4.33 105.19 109.38 1c39 n GLY 136 Ca 0.10 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1c39 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c39 s LYS 137 N -3.03 2.20 0.31 1.61 1.02 -1.26 -5.02 119.74 115.57 1c39 s LYS 137 Ca 0.48 -1.49 0.26 0.00 0.02 0.00 0.00 55.97 55.23 1c39 s LYS 137 Cb 0.40 -2.09 0.91 0.00 -0.52 0.00 0.00 37.83 36.53 1c39 s LYS 137 CO 0.08 0.34 1.77 -0.39 -0.92 0.00 0.00 175.35 176.22 1c39 h VAL 138 N 1.92 0.00 -2.17 3.17 -1.51 -1.93 -3.24 116.25 112.49 1c39 h VAL 138 Ca -0.43 -0.45 0.21 0.00 -1.23 0.00 0.00 66.70 64.79 1c39 h VAL 138 Cb 1.25 1.35 -0.08 0.00 -2.13 0.00 0.00 31.29 31.68 1c39 h VAL 138 CO 0.61 0.00 0.59 0.00 -1.23 0.00 0.00 177.57 177.53 1c39 s GLN 139 N -3.29 1.02 -1.33 5.19 -2.07 -1.26 -3.48 119.66 114.44 1c39 s GLN 139 Ca 0.06 -0.59 -0.08 0.00 -1.82 0.00 0.00 55.36 52.93 1c39 s GLN 139 Cb 0.10 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.36 1c39 s GLN 139 CO 0.52 -0.47 1.16 -0.25 -1.32 0.00 0.00 175.29 174.93 1c39 n ASP 140 N -0.61 -6.04 -4.73 12.60 8.00 -1.26 -5.01 116.55 119.50 1c39 n ASP 140 Ca -0.06 -0.54 -0.29 0.00 0.71 0.00 0.00 54.79 54.62 1c39 n ASP 140 Cb 0.61 -4.98 0.11 0.00 -0.02 0.00 0.00 41.12 36.83 1c39 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c39 s PHE 142 N -3.59 -0.09 -0.12 0.00 -0.71 -0.84 -4.66 117.98 107.97 1c39 s PHE 142 Ca 0.65 0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 56.55 1c39 s PHE 142 Cb -0.09 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1c39 s PHE 142 CO 0.49 -0.18 -0.03 0.71 -1.34 0.00 0.00 175.22 174.88 1c39 s TYR 143 N -2.34 3.06 -0.12 3.49 1.51 -0.51 -0.65 117.35 121.80 1c39 s TYR 143 Ca 0.11 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1c39 s TYR 143 Cb 0.00 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1c39 s TYR 143 CO -0.04 0.17 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.33 1c39 s LEU 144 N -0.16 3.11 0.08 -1.29 0.20 0.15 -0.94 118.68 119.83 1c39 s LEU 144 Ca 0.04 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.77 1c39 s LEU 144 Cb -0.13 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1c39 s LEU 144 CO 0.02 0.24 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.86 1c39 s PHE 145 N -0.10 1.04 0.13 5.38 0.40 0.03 -0.59 117.98 124.26 1c39 s PHE 145 Ca 0.01 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1c39 s PHE 145 Cb -0.13 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1c39 s PHE 145 CO 0.03 0.00 -0.16 -1.21 0.70 0.00 0.00 175.22 174.57 1c39 s GLU 146 N -2.37 1.10 -0.04 0.44 2.02 0.15 -1.06 118.70 118.94 1c39 s GLU 146 Ca 0.01 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 1c39 s GLU 146 Cb -0.06 -1.11 0.06 0.00 0.10 0.00 0.00 34.13 33.13 1c39 s GLU 146 CO 0.01 0.23 0.63 1.41 0.02 0.00 0.00 175.26 177.55 1c39 s MET 147 N -2.49 1.01 -0.00 1.61 1.75 -0.58 -0.55 119.30 120.05 1c39 s MET 147 Ca 0.10 0.18 -0.01 0.00 -1.25 0.00 0.00 55.69 54.71 1c39 s MET 147 Cb -0.06 0.47 -0.04 0.00 2.84 0.00 0.00 34.83 38.04 1c39 s MET 147 CO 0.04 -0.31 0.10 -0.51 -0.65 0.00 0.00 175.02 173.69 1c39 s ASP 148 N -1.24 5.83 -0.28 1.11 1.01 0.08 -0.69 116.67 122.48 1c39 s ASP 148 Ca -0.11 0.19 -0.22 0.00 0.71 0.00 0.00 52.55 53.11 1c39 s ASP 148 Cb -0.01 -1.71 0.13 0.00 1.01 0.00 0.00 42.92 42.34 1c39 s ASP 148 CO 0.09 0.27 1.00 -0.55 0.21 0.00 0.00 175.17 176.18 1c39 s SER 149 N -1.80 -0.49 0.47 0.27 0.15 -0.57 -1.37 113.70 110.35 1c39 s SER 149 Ca 0.24 0.89 0.22 0.00 0.70 0.00 0.00 55.95 58.00 1c39 s SER 149 Cb -0.12 1.00 1.15 0.00 -1.71 0.00 0.00 66.02 66.34 1c39 s SER 149 CO 0.15 -0.15 1.97 0.77 1.20 0.00 0.00 173.24 177.18 1c39 h SER 150 N 4.83 0.00 0.22 5.45 4.64 -0.21 -2.62 113.55 125.86 1c39 h SER 150 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1c39 h SER 150 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1c39 h SER 150 CO 0.13 0.20 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.19 1c39 h LEU 151 N 0.00 0.00 -0.26 5.97 3.38 -1.83 -0.94 115.31 121.63 1c39 h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c39 h LEU 151 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1c39 h LEU 151 CO 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 178.44 178.56 1c39 n ALA 152 N -2.20 2.67 -2.70 1.53 0.00 -1.01 -4.83 120.51 113.97 1c39 n ALA 152 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1c39 n ALA 152 Cb 0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1c39 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50