#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inb n GLU 2 N 0.00 -1.31 -2.06 0.00 4.07 -1.26 -3.97 120.64 116.11 3inb n GLU 2 Ca 0.00 -0.36 -0.41 0.00 -0.06 0.00 0.00 57.16 56.34 3inb n GLU 2 Cb 0.00 -1.75 -0.03 0.00 -0.06 0.00 0.00 31.44 29.60 3inb n GLU 2 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3inb s GLU 3 N -3.52 3.00 1.16 5.31 2.56 -1.26 -4.79 118.70 121.16 3inb s GLU 3 Ca 0.57 0.96 -0.17 0.00 0.00 0.00 0.00 54.97 56.33 3inb s GLU 3 Cb -0.14 -4.28 0.19 0.00 2.00 0.00 0.00 34.13 31.90 3inb s GLU 3 CO 0.66 -2.27 0.38 -2.30 -0.56 0.00 0.00 175.26 171.17 3inb n PRO 4 N 8.77 -2.17 -0.81 4.30 -0.02 -1.26 -4.94 135.00 138.87 3inb n PRO 4 Ca 0.21 -0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 60.81 3inb n PRO 4 Cb 0.50 -1.85 0.02 0.00 -0.02 0.00 0.00 33.50 32.14 3inb n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3inb n PRO 5 N -3.23 0.00 -4.03 0.52 -0.02 -1.26 -5.04 135.00 121.94 3inb n PRO 5 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 3inb n PRO 5 Cb 0.58 -0.70 -0.10 0.00 -0.02 0.00 0.00 33.50 33.26 3inb n PRO 5 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3inb s THR 6 N -1.40 0.17 0.35 3.45 2.01 -1.26 -5.11 115.64 113.86 3inb s THR 6 Ca 0.35 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 61.02 3inb s THR 6 Cb -0.26 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 3inb s THR 6 CO 0.51 -0.76 0.18 -0.36 -0.69 0.00 0.00 174.62 173.49 3inb s PHE 7 N -2.85 1.72 -0.86 4.92 0.08 -1.26 -5.03 117.98 114.70 3inb s PHE 7 Ca -0.03 -1.41 0.24 0.00 0.12 0.00 0.00 56.93 55.86 3inb s PHE 7 Cb 0.00 -0.95 0.39 0.00 -0.57 0.00 0.00 43.02 41.89 3inb s PHE 7 CO -0.06 -0.52 1.33 -0.85 -0.10 0.00 0.00 175.22 175.02 3inb n GLU 8 N -0.73 0.11 0.07 0.44 0.28 -1.26 -4.12 120.64 115.43 3inb n GLU 8 Ca -0.00 0.02 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 3inb n GLU 8 Cb 0.64 -1.56 -0.15 0.00 1.43 0.00 0.00 31.44 31.81 3inb n GLU 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3inb h ALA 9 N 2.82 -0.02 -3.65 -1.84 0.00 -1.95 -3.44 119.26 111.17 3inb h ALA 9 Ca 0.00 -0.87 -0.67 0.00 0.00 0.00 0.00 54.91 53.37 3inb h ALA 9 Cb 0.59 0.24 -0.37 0.00 0.00 0.00 0.00 17.79 18.25 3inb h ALA 9 CO 0.00 0.62 -0.72 -1.64 0.00 0.00 0.00 179.25 177.51 3inb s MET 10 N -2.50 1.93 -1.34 0.00 -1.94 -1.26 -0.72 119.30 113.47 3inb s MET 10 Ca -0.14 -1.61 -0.17 0.00 -1.71 0.00 0.00 55.69 52.06 3inb s MET 10 Cb 0.03 -3.15 0.04 0.00 2.01 0.00 0.00 34.83 33.77 3inb s MET 10 CO 0.85 -0.79 1.96 -1.91 -0.01 0.00 0.00 175.02 175.12 3inb n GLU 11 N 4.41 2.93 -0.97 2.03 2.13 -1.26 -4.53 120.64 125.37 3inb n GLU 11 Ca -0.05 -2.91 -0.37 0.00 0.66 0.00 0.00 57.16 54.48 3inb n GLU 11 Cb 0.42 -3.40 -0.04 0.00 0.27 0.00 0.00 31.44 28.69 3inb n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3inb n LEU 12 N 7.64 -0.24 -3.76 4.31 7.94 -1.26 -4.56 117.00 127.06 3inb n LEU 12 Ca 0.50 0.76 -0.03 0.00 -1.11 0.00 0.00 56.01 56.14 3inb n LEU 12 Cb 0.43 -0.61 -0.01 0.00 0.53 0.00 0.00 43.42 43.76 3inb n LEU 12 CO 0.83 -1.47 0.40 2.30 -1.11 0.00 0.00 177.39 178.33 3inb n ILE 13 N 0.70 0.00 0.00 1.96 -5.35 -1.26 -4.68 119.36 110.73 3inb n ILE 13 Ca 0.13 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3inb n ILE 13 Cb 0.09 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 3inb n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3inb n GLY 14 N 3.25 0.96 3.25 3.28 0.00 -1.26 -5.00 105.19 109.67 3inb n GLY 14 Ca 0.03 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 3inb n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inb s LYS 15 N 0.00 1.07 0.00 1.61 1.02 -1.26 -5.17 119.74 117.01 3inb s LYS 15 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.63 3inb s LYS 15 Cb 0.00 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 3inb s LYS 15 CO 0.00 0.14 0.00 -2.30 -0.92 0.00 0.00 175.35 172.27 3inb n PRO 16 N 0.15 3.69 0.23 -1.68 -0.02 -1.26 -5.13 135.00 130.98 3inb n PRO 16 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3inb n PRO 16 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3inb n PRO 16 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3inb n LYS 17 N 0.00 0.00 0.00 -0.52 4.81 -1.26 -5.11 118.16 116.08 3inb n LYS 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3inb n LYS 17 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3inb n LYS 17 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3inb n PRO 18 N -3.42 0.00 -3.54 1.64 -0.05 -1.26 -5.08 135.00 123.30 3inb n PRO 18 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 63.50 63.34 3inb n PRO 18 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.42 3inb n PRO 18 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 3inb s TYR 19 N -0.58 -0.41 0.06 0.54 5.04 -1.26 -4.05 117.35 116.69 3inb s TYR 19 Ca 0.00 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 3inb s TYR 19 Cb 0.00 0.52 -0.04 0.00 0.35 0.00 0.00 41.96 42.79 3inb s TYR 19 CO 0.00 -0.89 -0.04 0.71 -1.34 0.00 0.00 175.55 174.00 3inb s TYR 20 N -3.79 2.93 1.09 4.97 2.02 -1.26 -5.07 117.35 118.24 3inb s TYR 20 Ca 0.03 -0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.50 3inb s TYR 20 Cb -0.01 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.06 3inb s TYR 20 CO -0.09 0.44 -0.16 0.39 -1.57 0.00 0.00 175.55 174.56 3inb n GLU 21 N 0.92 -1.31 -3.61 -0.62 -0.58 -1.26 -4.83 120.64 109.36 3inb n GLU 21 Ca -0.13 -0.37 -0.38 0.00 -0.42 0.00 0.00 57.16 55.87 3inb n GLU 21 Cb 0.52 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 3inb n GLU 21 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3inb s ILE 22 N -2.22 5.19 0.00 -3.67 -1.09 -1.26 -4.10 121.20 114.05 3inb s ILE 22 Ca 0.53 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.60 3inb s ILE 22 Cb -0.10 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3inb s ILE 22 CO 0.66 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 175.56 3inb n GLY 23 N 1.97 1.12 3.81 6.18 0.00 -1.20 -4.94 105.19 112.13 3inb n GLY 23 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3inb n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3inb s GLU 24 N -0.50 2.77 0.27 1.61 -1.05 -1.26 -4.83 118.70 115.71 3inb s GLU 24 Ca 0.00 -1.20 0.06 0.00 -0.15 0.00 0.00 54.97 53.68 3inb s GLU 24 Cb 0.00 -2.47 -0.02 0.00 -0.44 0.00 0.00 34.13 31.20 3inb s GLU 24 CO 0.00 0.29 0.21 2.89 0.95 0.00 0.00 175.26 179.60 3inb n ARG 25 N -1.21 0.35 -3.64 -4.83 1.85 -1.26 -0.11 116.66 107.81 3inb n ARG 25 Ca -0.06 -2.63 -0.04 0.00 -1.00 0.00 0.00 57.85 54.12 3inb n ARG 25 Cb 0.59 2.08 -0.06 0.00 -1.05 0.00 0.00 32.46 34.02 3inb n ARG 25 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3inb s VAL 26 N -3.03 -0.44 0.28 8.89 0.11 0.52 -4.97 120.40 121.76 3inb s VAL 26 Ca 0.30 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 3inb s VAL 26 Cb 0.01 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.79 3inb s VAL 26 CO 0.21 0.00 0.63 -1.81 -3.33 0.00 0.00 175.10 170.80 3inb s ASP 27 N 2.20 6.65 0.17 3.54 1.01 -1.26 -1.51 116.67 127.46 3inb s ASP 27 Ca -0.08 1.04 0.04 0.00 0.71 0.00 0.00 52.55 54.26 3inb s ASP 27 Cb -0.08 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3inb s ASP 27 CO -0.20 -0.16 0.25 -0.31 0.21 0.00 0.00 175.17 174.97 3inb s TYR 28 N -1.95 3.37 0.00 4.23 1.51 0.99 -4.40 117.35 121.10 3inb s TYR 28 Ca 0.50 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 3inb s TYR 28 Cb -0.11 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 3inb s TYR 28 CO 0.22 0.51 0.00 1.17 -1.11 0.00 0.00 175.55 176.33 3inb n LYS 29 N -0.67 3.47 -3.73 -0.62 4.81 -1.26 -4.87 118.16 115.28 3inb n LYS 29 Ca -0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.23 3inb n LYS 29 Cb 0.55 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.50 3inb n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3inb n LYS 31 N 2.63 1.93 -0.59 0.00 5.02 0.10 -4.66 118.16 122.58 3inb n LYS 31 Ca -0.14 0.69 -0.21 0.00 -2.02 0.00 0.00 58.31 56.62 3inb n LYS 31 Cb 0.57 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.16 3inb n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3inb n LYS 32 N -0.03 0.00 -0.28 1.97 4.81 -1.26 -0.40 118.16 122.97 3inb n LYS 32 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3inb n LYS 32 Cb 0.40 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 34.98 3inb n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3inb n GLY 33 N 0.78 1.67 3.72 3.14 0.00 -1.25 -5.02 105.19 108.22 3inb n GLY 33 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3inb n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3inb s TYR 34 N -3.01 2.91 0.02 1.61 1.51 0.47 -0.54 117.35 120.33 3inb s TYR 34 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 3inb s TYR 34 Cb 0.00 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 3inb s TYR 34 CO 0.00 0.55 -0.04 -0.59 -1.11 0.00 0.00 175.55 174.37 3inb s PHE 35 N -2.06 0.32 -0.14 2.71 -0.00 -0.79 -4.86 117.98 113.16 3inb s PHE 35 Ca 0.31 -0.52 -0.20 0.00 -0.00 0.00 0.00 56.93 56.52 3inb s PHE 35 Cb -0.08 -0.22 -0.04 0.00 -0.00 0.00 0.00 43.02 42.69 3inb s PHE 35 CO 0.22 -0.17 0.56 -0.47 -0.00 0.00 0.00 175.22 175.35 3inb s TYR 36 N -1.42 3.47 -0.03 3.49 5.04 -1.26 -1.08 117.35 125.55 3inb s TYR 36 Ca -0.15 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.45 3inb s TYR 36 Cb -0.10 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.51 3inb s TYR 36 CO -0.01 0.04 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.65 3inb s ILE 37 N 1.09 3.48 0.71 3.14 2.07 -1.12 -5.00 121.20 125.57 3inb s ILE 37 Ca 0.28 -0.68 -0.11 0.00 -1.41 0.00 0.00 60.65 58.73 3inb s ILE 37 Cb -0.16 -2.44 0.02 0.00 0.13 0.00 0.00 42.46 40.01 3inb s ILE 37 CO 0.12 0.51 1.07 -2.84 -1.91 0.00 0.00 174.94 171.88 3inb s PRO 38 N -1.04 2.82 -0.14 3.50 0.02 -1.26 -4.27 135.00 134.62 3inb s PRO 38 Ca 0.14 0.83 0.10 0.00 0.02 0.00 0.00 61.00 62.08 3inb s PRO 38 Cb -0.11 -1.99 -0.23 0.00 0.02 0.00 0.00 34.50 32.19 3inb s PRO 38 CO 0.04 -1.15 0.27 -0.35 -0.33 0.00 0.00 177.00 175.47 3inb n PRO 39 N -3.15 0.67 -0.90 5.54 -0.05 -1.26 -5.11 135.00 130.75 3inb n PRO 39 Ca 0.07 0.16 -0.33 0.00 -0.05 0.00 0.00 63.50 63.36 3inb n PRO 39 Cb 0.54 -1.64 -0.03 0.00 -0.05 0.00 0.00 33.50 32.32 3inb n PRO 39 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3inb n LEU 40 N -3.04 -0.50 -4.71 1.53 7.99 -1.26 -4.76 117.00 112.25 3inb n LEU 40 Ca -0.29 0.71 -0.42 0.00 -0.01 0.00 0.00 56.01 56.00 3inb n LEU 40 Cb 1.08 -0.59 -0.03 0.00 -0.11 0.00 0.00 43.42 43.77 3inb n LEU 40 CO 0.41 -1.63 1.42 0.00 -1.51 0.00 0.00 177.39 176.09 3inb s ALA 41 N -0.40 3.87 -0.62 -1.18 0.00 -1.26 -4.90 121.76 117.28 3inb s ALA 41 Ca 0.46 1.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 3inb s ALA 41 Cb -0.66 -3.73 0.45 0.00 0.00 0.00 0.00 23.12 19.18 3inb s ALA 41 CO 0.35 -1.06 1.89 -2.37 0.00 0.00 0.00 175.76 174.58 3inb n THR 42 N 4.30 3.45 -3.81 0.00 5.66 -1.26 -4.51 114.28 118.10 3inb n THR 42 Ca 0.17 -3.24 -0.11 0.00 -3.05 0.00 0.00 64.05 57.82 3inb n THR 42 Cb 0.36 -1.16 -0.08 0.00 -1.55 0.00 0.00 70.33 67.90 3inb n THR 42 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 3inb s HIS 43 N -3.80 -0.02 0.03 1.09 -3.43 -1.26 -0.01 115.29 107.88 3inb s HIS 43 Ca 0.62 -0.13 0.03 0.00 -0.80 0.00 0.00 55.06 54.78 3inb s HIS 43 Cb 0.49 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 3inb s HIS 43 CO -0.03 -0.43 -0.11 -0.08 -2.00 0.00 0.00 174.74 172.10 3inb s THR 44 N -2.29 0.82 0.00 -5.38 -1.32 -0.57 -4.79 115.64 102.11 3inb s THR 44 Ca -0.07 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 3inb s THR 44 Cb -0.02 -0.76 -0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3inb s THR 44 CO -0.02 -0.05 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.70 3inb s ILE 45 N -0.79 0.04 0.91 5.08 1.01 -1.26 -0.36 121.20 125.83 3inb s ILE 45 Ca -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 3inb s ILE 45 Cb -0.07 -0.06 0.14 0.00 0.01 0.00 0.00 42.46 42.48 3inb s ILE 45 CO 0.01 -0.06 1.14 0.00 0.00 0.00 0.00 174.94 176.02 3inb s ASP 47 N -4.06 -0.44 -0.01 0.00 3.68 -1.26 -3.24 116.67 111.34 3inb s ASP 47 Ca 0.64 0.40 -0.03 0.00 2.13 0.00 0.00 52.55 55.70 3inb s ASP 47 Cb -0.14 0.44 -0.04 0.00 -1.45 0.00 0.00 42.92 41.73 3inb s ASP 47 CO 0.53 -0.55 0.18 -0.60 0.13 0.00 0.00 175.17 174.86 3inb s ARG 48 N -1.36 3.42 0.00 4.34 3.52 -1.26 -2.65 118.95 124.95 3inb s ARG 48 Ca -0.12 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 3inb s ARG 48 Cb -0.02 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3inb s ARG 48 CO 0.07 0.67 0.00 0.09 -0.81 0.00 0.00 175.30 175.32 3inb n ASN 49 N 0.95 0.00 -1.10 -2.12 5.03 -1.26 -4.72 115.26 112.04 3inb n ASN 49 Ca -0.11 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.22 3inb n ASN 49 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3inb n ASN 49 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 3inb n HIS 50 N -0.70 -0.22 -4.26 3.10 -0.00 -1.08 -5.00 115.22 107.05 3inb n HIS 50 Ca 0.00 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.97 3inb n HIS 50 Cb 0.00 -2.42 -0.16 0.00 -0.12 0.00 0.00 29.99 27.29 3inb n HIS 50 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 3inb s THR 51 N -2.51 0.66 -0.09 3.57 -4.23 -1.26 -4.76 115.64 107.01 3inb s THR 51 Ca 0.00 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 3inb s THR 51 Cb 0.00 -0.65 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 3inb s THR 51 CO 0.00 0.25 0.01 -1.66 -0.54 0.00 0.00 174.62 172.68 3inb s TRP 52 N 0.80 3.19 -2.00 3.99 -2.14 -1.26 -4.83 118.94 116.69 3inb s TRP 52 Ca -0.12 0.21 0.13 0.00 2.66 0.00 0.00 56.10 58.98 3inb s TRP 52 Cb -0.14 -1.80 0.76 0.00 -3.10 0.00 0.00 33.47 29.18 3inb s TRP 52 CO 0.01 0.48 1.18 -0.11 -2.66 0.00 0.00 176.95 175.85 3inb n LEU 53 N 2.15 0.00 0.00 -4.66 7.94 -1.26 -4.87 117.00 116.30 3inb n LEU 53 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 3inb n LEU 53 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3inb n LEU 53 CO 0.29 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.92 3inb n PRO 54 N -0.96 0.00 0.00 1.96 -0.02 -1.26 -4.92 135.00 129.80 3inb n PRO 54 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3inb n PRO 54 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 3inb n PRO 54 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3inb n VAL 55 N 0.00 0.00 -4.54 -1.45 0.24 -1.26 -5.15 118.33 106.16 3inb n VAL 55 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 3inb n VAL 55 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 3inb n VAL 55 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3inb s SER 56 N 1.00 3.51 0.00 -1.34 0.01 -1.26 -4.98 113.70 110.64 3inb s SER 56 Ca 0.00 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.99 3inb s SER 56 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3inb s SER 56 CO 0.00 -0.35 0.17 -0.90 0.41 0.00 0.00 173.24 172.57 3inb n ASP 57 N -0.81 0.00 -0.15 2.44 5.75 -1.26 -4.80 116.55 117.71 3inb n ASP 57 Ca -0.05 -1.00 0.08 0.00 -0.01 0.00 0.00 54.79 53.82 3inb n ASP 57 Cb 0.65 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 41.14 3inb n ASP 57 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3inb h ASP 58 N 0.00 0.57 -0.10 -1.12 3.45 -1.99 -2.23 116.42 115.01 3inb h ASP 58 Ca 0.00 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.36 3inb h ASP 58 Cb 0.75 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 3inb h ASP 58 CO 0.00 0.36 -0.27 0.00 -1.57 0.00 0.00 179.24 177.76 3inb h ALA 59 N 1.64 1.01 -2.33 3.45 0.00 -1.88 -3.42 119.26 117.73 3inb h ALA 59 Ca 0.31 -0.37 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 3inb h ALA 59 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3inb h ALA 59 CO -0.10 0.59 0.47 0.00 0.00 0.00 0.00 179.25 180.21 3inb s TYR 61 N 1.98 2.69 -0.29 0.00 1.51 -0.24 -4.92 117.35 118.07 3inb s TYR 61 Ca 0.44 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 3inb s TYR 61 Cb -0.18 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 3inb s TYR 61 CO 0.16 -0.00 0.17 1.03 -1.11 0.00 0.00 175.55 175.80 3inb s ARG 62 N -4.05 3.70 0.77 -0.62 3.00 -1.26 -1.89 118.95 118.60 3inb s ARG 62 Ca 0.45 -0.48 -0.17 0.00 0.00 0.00 0.00 55.73 55.54 3inb s ARG 62 Cb -0.01 -3.61 -0.11 0.00 0.00 0.00 0.00 34.95 31.22 3inb s ARG 62 CO 0.26 -0.27 -0.17 -1.91 0.00 0.00 0.00 175.30 173.20 3inb n GLU 63 N 5.03 0.05 -4.28 3.54 4.07 0.30 -4.69 120.64 124.67 3inb n GLU 63 Ca -0.14 0.03 -0.23 0.00 -0.06 0.00 0.00 57.16 56.76 3inb n GLU 63 Cb 0.51 -1.27 -0.12 0.00 -0.06 0.00 0.00 31.44 30.50 3inb n GLU 63 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3inb s THR 64 N -2.01 1.64 0.15 6.31 -4.23 -1.26 -3.37 115.64 112.88 3inb s THR 64 Ca 0.53 -1.56 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 3inb s THR 64 Cb -0.33 -1.53 -0.07 0.00 1.34 0.00 0.00 72.50 71.91 3inb s THR 64 CO 0.70 -0.12 0.60 0.00 -0.54 0.00 0.00 174.62 175.27 3inb n PRO 66 N 0.94 0.00 -1.74 0.00 -0.02 -1.26 -4.90 135.00 128.01 3inb n PRO 66 Ca -0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 3inb n PRO 66 Cb 0.51 -0.78 0.05 0.00 -0.02 0.00 0.00 33.50 33.25 3inb n PRO 66 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3inb s TYR 67 N -1.57 2.73 -0.19 6.00 6.14 -1.26 -5.05 117.35 124.15 3inb s TYR 67 Ca 0.35 1.53 -0.01 0.00 0.64 0.00 0.00 57.07 59.58 3inb s TYR 67 Cb -0.20 -3.10 0.05 0.00 0.42 0.00 0.00 41.96 39.13 3inb s TYR 67 CO 0.62 -1.55 -0.02 0.42 0.64 0.00 0.00 175.55 175.66 3inb s ILE 68 N -2.49 1.02 0.04 3.14 1.01 -1.26 -5.11 121.20 117.55 3inb s ILE 68 Ca 0.65 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 3inb s ILE 68 Cb -0.19 -1.32 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 3inb s ILE 68 CO 0.43 -0.04 1.30 -0.60 0.00 0.00 0.00 174.94 176.04 3inb s ARG 69 N 1.65 4.35 0.07 2.79 3.52 -1.26 -4.92 118.95 125.14 3inb s ARG 69 Ca -0.02 1.89 -0.36 0.00 -0.13 0.00 0.00 55.73 57.11 3inb s ARG 69 Cb -0.17 -3.42 -0.16 0.00 -1.56 0.00 0.00 34.95 29.64 3inb s ARG 69 CO -0.07 -0.42 1.42 -0.25 -0.81 0.00 0.00 175.30 175.17 3inb n ASP 70 N 4.55 1.97 -4.72 -2.12 9.92 -1.26 -4.89 116.55 120.00 3inb n ASP 70 Ca 0.11 1.11 -0.31 0.00 -0.53 0.00 0.00 54.79 55.17 3inb n ASP 70 Cb 0.45 -1.23 0.13 0.00 -0.64 0.00 0.00 41.12 39.83 3inb n ASP 70 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3inb s PRO 71 N 0.86 1.54 -0.86 -0.24 0.04 -0.91 -4.80 135.00 130.63 3inb s PRO 71 Ca 0.85 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 3inb s PRO 71 Cb -0.91 -1.81 -0.20 0.00 0.04 0.00 0.00 34.50 31.61 3inb s PRO 71 CO 0.47 -2.17 2.48 1.28 0.04 0.00 0.00 177.00 179.11 3inb n LEU 72 N -3.89 0.54 -0.39 -3.56 4.77 -1.26 -1.30 117.00 111.91 3inb n LEU 72 Ca 0.09 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3inb n LEU 72 Cb 0.53 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3inb n LEU 72 CO 0.52 -1.29 0.00 0.59 -1.33 0.00 0.00 177.39 175.88 3inb n ASN 73 N 11.60 -1.56 -3.64 -1.43 3.02 -1.26 -4.02 115.26 117.98 3inb n ASN 73 Ca 0.58 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 55.10 3inb n ASN 73 Cb 0.22 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 3inb n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3inb s GLY 74 N -2.79 0.05 0.81 7.41 0.00 -0.42 -2.30 107.32 110.07 3inb s GLY 74 Ca 0.00 2.73 -0.14 0.00 0.00 0.00 0.00 44.72 47.31 3inb s GLY 74 CO 0.00 1.09 1.00 -1.06 0.00 0.00 0.00 173.10 174.13 3inb n GLN 75 N 0.53 -1.38 -2.89 2.90 6.02 -1.11 -2.15 117.38 119.30 3inb n GLN 75 Ca -0.01 -1.55 -0.13 0.00 -0.01 0.00 0.00 57.00 55.30 3inb n GLN 75 Cb 0.59 -1.11 0.02 0.00 1.02 0.00 0.00 30.24 30.76 3inb n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3inb n ALA 76 N -3.84 2.07 -1.66 -1.58 0.00 -1.26 -3.69 120.51 110.55 3inb n ALA 76 Ca -0.17 -2.84 -0.44 0.00 0.00 0.00 0.00 53.44 49.99 3inb n ALA 76 Cb 0.45 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 3inb n ALA 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3inb n VAL 77 N 0.08 0.67 -2.33 0.00 0.31 -1.20 -4.74 118.33 111.12 3inb n VAL 77 Ca 0.14 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 3inb n VAL 77 Cb 0.74 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 3inb n VAL 77 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3inb s PRO 78 N 4.61 3.87 0.21 5.55 0.02 -1.26 -0.82 135.00 147.18 3inb s PRO 78 Ca 0.92 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 3inb s PRO 78 Cb -0.50 -3.93 0.30 0.00 0.02 0.00 0.00 34.50 30.39 3inb s PRO 78 CO 0.44 -1.18 1.70 0.00 -0.33 0.00 0.00 177.00 177.63 3inb h ALA 79 N 9.76 0.72 -0.02 -1.55 0.00 -1.04 -1.65 119.26 125.48 3inb h ALA 79 Ca -0.28 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3inb h ALA 79 Cb 1.11 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3inb h ALA 79 CO 1.02 -0.31 -0.05 0.09 0.00 0.00 0.00 179.25 180.00 3inb n ASN 80 N -5.14 2.32 -0.64 0.00 5.03 -1.26 -4.99 115.26 110.59 3inb n ASN 80 Ca 0.09 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.88 3inb n ASN 80 Cb 0.33 0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 3inb n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3inb n GLY 81 N 1.00 0.62 3.62 7.41 0.00 -0.62 -5.10 105.19 112.11 3inb n GLY 81 Ca 0.10 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 3inb n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3inb s THR 82 N -2.59 0.00 -0.28 2.61 -1.32 -1.26 -5.01 115.64 107.79 3inb s THR 82 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 3inb s THR 82 Cb 0.00 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.39 3inb s THR 82 CO 0.00 0.00 1.60 -1.22 -2.21 0.00 0.00 174.62 172.79 3inb n TYR 83 N 1.29 1.89 -1.75 9.09 4.02 -1.26 -4.75 117.16 125.70 3inb n TYR 83 Ca -0.10 -1.39 -0.30 0.00 -0.01 0.00 0.00 57.90 56.10 3inb n TYR 83 Cb 0.57 -0.71 0.19 0.00 -0.02 0.00 0.00 39.34 39.37 3inb n TYR 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3inb s GLU 84 N -2.04 0.43 0.34 -0.72 2.02 -1.26 -0.85 118.70 116.61 3inb s GLU 84 Ca 0.35 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.79 3inb s GLU 84 Cb 0.29 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.61 3inb s GLU 84 CO 0.06 -2.58 1.35 -0.59 0.02 0.00 0.00 175.26 173.52 3inb s PHE 85 N -3.67 2.95 -1.05 1.61 -0.71 -1.22 -3.90 117.98 111.99 3inb s PHE 85 Ca 0.72 1.36 -0.05 0.00 -1.04 0.00 0.00 56.93 57.91 3inb s PHE 85 Cb -0.06 -3.76 0.01 0.00 -1.21 0.00 0.00 43.02 38.00 3inb s PHE 85 CO 0.53 -2.11 0.91 0.41 -1.34 0.00 0.00 175.22 173.62 3inb n GLY 86 N 0.75 -0.23 0.00 1.99 0.00 0.16 -5.00 105.19 102.85 3inb n GLY 86 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3inb n GLY 86 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inb n TYR 87 N -4.26 0.00 -3.98 1.61 4.01 -1.25 -4.94 117.16 108.34 3inb n TYR 87 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 3inb n TYR 87 Cb 0.57 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.49 3inb n TYR 87 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3inb s GLN 88 N -1.17 0.35 -0.26 -0.72 -2.07 -1.26 -0.95 119.66 113.58 3inb s GLN 88 Ca 0.00 -0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 52.76 3inb s GLN 88 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 3inb s GLN 88 CO 0.00 -0.06 0.31 1.41 -1.32 0.00 0.00 175.29 175.63 3inb s MET 89 N -1.66 4.04 0.52 9.60 -2.45 -0.80 -0.35 119.30 128.21 3inb s MET 89 Ca -0.14 -0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.22 3inb s MET 89 Cb -0.08 -3.62 0.00 0.00 1.25 0.00 0.00 34.83 32.38 3inb s MET 89 CO -0.02 -0.17 0.79 -1.01 1.05 0.00 0.00 175.02 175.67 3inb s HIS 90 N 1.72 3.25 -0.23 4.11 3.76 -0.00 -0.79 115.29 127.11 3inb s HIS 90 Ca 0.13 0.45 -0.03 0.00 -0.15 0.00 0.00 55.06 55.46 3inb s HIS 90 Cb -0.15 -2.52 0.08 0.00 1.11 0.00 0.00 32.58 31.09 3inb s HIS 90 CO 0.09 -0.58 0.08 -0.06 -0.85 0.00 0.00 174.74 173.42 3inb s PHE 91 N -2.77 0.73 0.40 1.40 0.40 -0.55 -3.28 117.98 114.31 3inb s PHE 91 Ca 0.51 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3inb s PHE 91 Cb -0.10 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 3inb s PHE 91 CO 0.42 -0.67 0.67 0.42 0.70 0.00 0.00 175.22 176.75 3inb s ILE 92 N 1.96 4.98 -0.01 0.64 1.01 -1.24 -4.90 121.20 123.63 3inb s ILE 92 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3inb s ILE 92 Cb -0.17 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3inb s ILE 92 CO -0.18 -0.65 -0.18 0.00 0.00 0.00 0.00 174.94 173.94 3inb s ASN 94 N -0.44 6.83 -0.36 0.00 0.01 -0.97 -4.85 114.94 115.17 3inb s ASN 94 Ca 0.07 2.07 -0.41 0.00 -0.71 0.00 0.00 52.86 53.88 3inb s ASN 94 Cb -0.07 -2.59 -0.18 0.00 0.41 0.00 0.00 41.25 38.82 3inb s ASN 94 CO -0.01 -0.44 1.33 1.21 -1.51 0.00 0.00 177.10 177.68 3inb n GLU 95 N 0.11 0.00 -0.05 -0.60 2.13 -1.26 -0.76 120.64 120.22 3inb n GLU 95 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3inb n GLU 95 Cb 0.49 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3inb n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3inb n GLY 96 N 3.12 0.70 3.19 8.31 0.00 -1.26 -5.07 105.19 114.18 3inb n GLY 96 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 3inb n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3inb s TYR 97 N -2.06 1.22 0.16 1.61 1.51 0.06 -2.39 117.35 117.47 3inb s TYR 97 Ca 0.00 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3inb s TYR 97 Cb 0.00 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 41.14 3inb s TYR 97 CO 0.00 0.07 -0.08 1.52 -1.11 0.00 0.00 175.55 175.95 3inb s TYR 98 N -1.88 1.28 0.37 2.71 1.13 0.26 -4.63 117.35 116.61 3inb s TYR 98 Ca 0.03 -0.80 -0.13 0.00 -1.41 0.00 0.00 57.07 54.76 3inb s TYR 98 Cb -0.06 -0.67 -0.08 0.00 -1.10 0.00 0.00 41.96 40.05 3inb s TYR 98 CO 0.02 0.04 0.76 -1.17 -2.51 0.00 0.00 175.55 172.69 3inb s LEU 99 N -3.18 3.93 -0.39 -3.49 0.20 -1.26 -2.53 118.68 111.96 3inb s LEU 99 Ca 0.18 1.22 0.03 0.00 0.69 0.00 0.00 54.13 56.26 3inb s LEU 99 Cb 0.03 -4.07 0.16 0.00 -0.43 0.00 0.00 46.19 41.89 3inb s LEU 99 CO 0.02 -0.32 0.39 -0.63 -0.29 0.00 0.00 176.35 175.51 3inb s ILE 100 N -2.21 -0.26 -3.07 6.68 1.01 -1.22 -4.92 121.20 117.21 3inb s ILE 100 Ca 0.53 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3inb s ILE 100 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3inb s ILE 100 CO 0.25 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 175.15 3inb n GLY 101 N 3.93 -0.39 3.27 6.18 0.00 -1.26 -2.37 105.19 114.55 3inb n GLY 101 Ca 0.14 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3inb n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3inb s GLU 102 N -2.00 2.61 0.33 1.61 2.02 -1.26 -4.95 118.70 117.06 3inb s GLU 102 Ca 0.00 -1.48 0.06 0.00 0.02 0.00 0.00 54.97 53.56 3inb s GLU 102 Cb 0.00 -3.81 0.32 0.00 0.10 0.00 0.00 34.13 30.74 3inb s GLU 102 CO 0.00 -0.98 1.00 1.49 0.02 0.00 0.00 175.26 176.79 3inb h GLU 103 N 8.42 0.00 -2.74 1.61 4.81 -1.95 -3.40 114.58 121.34 3inb h GLU 103 Ca -0.23 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3inb h GLU 103 Cb 1.08 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.21 3inb h GLU 103 CO 0.77 0.00 -0.26 0.42 -0.73 0.00 0.00 179.01 179.21 3inb s ILE 104 N -3.15 -0.01 0.26 2.32 1.01 -1.26 -1.48 121.20 118.89 3inb s ILE 104 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.76 3inb s ILE 104 Cb 0.02 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 3inb s ILE 104 CO 0.05 0.01 -0.15 -0.76 0.00 0.00 0.00 174.94 174.10 3inb s LEU 105 N 0.55 2.57 -0.05 2.97 1.43 0.03 -4.99 118.68 121.19 3inb s LEU 105 Ca -0.03 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.05 3inb s LEU 105 Cb -0.04 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3inb s LEU 105 CO -0.03 -0.13 -0.20 -0.31 0.23 0.00 0.00 176.35 175.91 3inb s TYR 106 N -2.78 1.95 -0.40 0.29 2.02 -1.26 -1.90 117.35 115.27 3inb s TYR 106 Ca 0.27 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 56.16 3inb s TYR 106 Cb -0.01 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3inb s TYR 106 CO 0.11 -0.19 0.83 0.00 -1.57 0.00 0.00 175.55 174.73 3inb s GLU 108 N 3.30 3.39 0.00 0.00 2.02 -0.40 0.37 118.70 127.38 3inb s GLU 108 Ca 0.33 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.66 3inb s GLU 108 Cb -0.12 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3inb s GLU 108 CO 0.20 0.10 1.01 1.28 0.02 0.00 0.00 175.26 177.87 3inb n LEU 109 N 3.87 2.75 -4.54 1.80 4.32 -1.26 -1.78 117.00 122.15 3inb n LEU 109 Ca -0.18 -1.25 -0.20 0.00 -0.02 0.00 0.00 56.01 54.36 3inb n LEU 109 Cb 0.52 -0.57 -0.11 0.00 -1.62 0.00 0.00 43.42 41.65 3inb n LEU 109 CO 0.30 0.51 1.59 1.17 -1.22 0.00 0.00 177.39 179.74 3inb n LYS 110 N 1.54 0.45 0.00 3.23 4.81 -1.26 -4.49 118.16 122.45 3inb n LYS 110 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 58.31 56.95 3inb n LYS 110 Cb 0.28 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.44 3inb n LYS 110 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3inb n GLY 111 N 6.37 -0.88 0.19 3.14 0.00 -1.26 -4.38 105.19 108.38 3inb n GLY 111 Ca 0.52 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.91 3inb n GLY 111 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3inb h SER 112 N 0.95 0.00 -1.98 1.61 4.64 -1.98 -3.45 113.55 113.35 3inb h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3inb h SER 112 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3inb h SER 112 CO 0.00 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.51 3inb n VAL 113 N -2.91 0.00 -3.22 0.95 3.14 -1.26 -3.92 118.33 111.11 3inb n VAL 113 Ca 0.04 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.22 3inb n VAL 113 Cb 0.50 -1.32 -0.07 0.00 -1.06 0.00 0.00 33.84 31.90 3inb n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3inb s ALA 114 N -2.63 0.38 1.10 1.55 0.00 -1.26 -4.15 121.76 116.75 3inb s ALA 114 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.00 3inb s ALA 114 Cb 0.00 -1.91 0.17 0.00 0.00 0.00 0.00 23.12 21.38 3inb s ALA 114 CO 0.00 -2.05 0.72 -0.89 0.00 0.00 0.00 175.76 173.54 3inb n ILE 115 N 2.94 0.00 0.00 0.00 5.41 -0.74 -4.15 119.36 122.83 3inb n ILE 115 Ca 0.26 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3inb n ILE 115 Cb 0.50 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 3inb n ILE 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3inb n TRP 116 N -3.64 0.00 -1.57 1.39 7.02 -1.26 -1.27 117.44 118.11 3inb n TRP 116 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 3inb n TRP 116 Cb 0.36 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 3inb n TRP 116 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3inb n SER 117 N 0.00 0.00 0.00 -0.99 3.41 -1.15 -3.80 113.62 111.09 3inb n SER 117 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3inb n SER 117 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3inb n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3inb n GLY 118 N 0.00 1.87 3.75 5.00 0.00 -1.26 -4.93 105.19 109.62 3inb n GLY 118 Ca 0.00 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 3inb n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inb s LYS 119 N -2.00 2.48 0.83 1.61 -0.14 -1.26 -4.99 119.74 116.27 3inb s LYS 119 Ca 0.00 1.44 -0.12 0.00 -1.36 0.00 0.00 55.97 55.93 3inb s LYS 119 Cb 0.00 -1.91 0.09 0.00 -1.68 0.00 0.00 37.83 34.34 3inb s LYS 119 CO 0.00 -1.51 1.17 -2.14 -0.76 0.00 0.00 175.35 172.11 3inb s PRO 120 N -4.22 1.79 0.61 -1.68 0.02 -1.26 -4.66 135.00 125.60 3inb s PRO 120 Ca 0.67 0.17 -0.10 0.00 0.02 0.00 0.00 61.00 61.76 3inb s PRO 120 Cb -0.22 -1.92 0.14 0.00 0.02 0.00 0.00 34.50 32.52 3inb s PRO 120 CO 0.45 -1.73 0.72 -0.35 -0.33 0.00 0.00 177.00 175.76 3inb n PRO 121 N -3.42 -1.24 -3.28 5.54 -0.05 -1.26 -4.77 135.00 126.52 3inb n PRO 121 Ca 0.08 -1.12 -0.19 0.00 -0.05 0.00 0.00 63.50 62.22 3inb n PRO 121 Cb 0.60 -0.83 -0.01 0.00 -0.05 0.00 0.00 33.50 33.21 3inb n PRO 121 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3inb n ILE 122 N -3.32 0.00 -2.69 0.52 2.08 -1.00 -4.92 119.36 110.03 3inb n ILE 122 Ca 0.09 -1.48 -0.08 0.00 0.56 0.00 0.00 62.75 61.85 3inb n ILE 122 Cb 0.33 -0.02 0.03 0.00 -0.75 0.00 0.00 39.64 39.24 3inb n ILE 122 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3inb n GLU 124 N -0.16 0.16 -3.86 0.00 4.07 -1.05 -4.22 120.64 115.57 3inb n GLU 124 Ca 0.08 0.07 -0.27 0.00 -0.06 0.00 0.00 57.16 56.99 3inb n GLU 124 Cb 0.82 -1.41 -0.03 0.00 -0.06 0.00 0.00 31.44 30.76 3inb n GLU 124 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 3inb s LYS 125 N -2.01 3.47 0.00 5.31 -2.85 -1.26 0.92 119.74 123.31 3inb s LYS 125 Ca 0.58 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 3inb s LYS 125 Cb -0.37 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 3inb s LYS 125 CO 0.65 0.49 0.30 1.33 0.10 0.00 0.00 175.35 178.21