#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 0.00 -3.68 0.00 1.02 -1.26 -4.66 120.64 112.06 3inb n GLU 2 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3inb n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3inb n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3inb s GLU 3 N 0.00 3.68 0.62 3.49 2.02 -1.26 -4.79 118.70 122.45 3inb s GLU 3 Ca 0.00 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 3inb s GLU 3 Cb 0.00 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 3inb s GLU 3 CO 0.00 0.68 1.25 -2.14 0.02 0.00 0.00 175.26 175.08 3inb s PRO 4 N -1.38 2.75 0.48 0.39 0.02 -1.26 -5.06 135.00 130.94 3inb s PRO 4 Ca 0.24 1.95 0.08 0.00 0.02 0.00 0.00 61.00 63.29 3inb s PRO 4 Cb -0.14 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.53 3inb s PRO 4 CO 0.12 -1.41 0.60 -1.25 -0.33 0.00 0.00 177.00 174.74 3inb s PRO 5 N -3.36 2.56 -0.32 5.54 0.05 -1.26 -5.10 135.00 133.11 3inb s PRO 5 Ca 0.80 -1.48 0.00 0.00 0.05 0.00 0.00 61.00 60.37 3inb s PRO 5 Cb -0.34 -2.61 0.07 0.00 0.05 0.00 0.00 34.50 31.67 3inb s PRO 5 CO 0.37 -0.49 0.02 0.99 0.05 0.00 0.00 177.00 177.93 3inb s THR 6 N -2.51 2.72 0.02 1.26 2.01 -1.26 -4.91 115.64 112.98 3inb s THR 6 Ca 0.55 -1.72 0.05 0.00 0.31 0.00 0.00 61.69 60.88 3inb s THR 6 Cb -0.07 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3inb s THR 6 CO 0.33 -0.27 -0.12 0.72 -0.69 0.00 0.00 174.62 174.60 3inb s PHE 7 N 1.14 2.74 -0.36 4.92 -0.00 -1.26 -5.11 117.98 120.04 3inb s PHE 7 Ca -0.01 -0.14 -0.18 0.00 -0.00 0.00 0.00 56.93 56.60 3inb s PHE 7 Cb -0.20 -1.54 0.00 0.00 -0.00 0.00 0.00 43.02 41.28 3inb s PHE 7 CO -0.04 0.32 0.53 -2.00 -0.00 0.00 0.00 175.22 174.03 3inb s GLU 8 N -1.43 3.55 0.21 1.99 2.12 -1.26 -4.40 118.70 119.47 3inb s GLU 8 Ca 0.16 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3inb s GLU 8 Cb -0.11 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.45 3inb s GLU 8 CO 0.07 -0.70 0.00 0.00 -0.54 0.00 0.00 175.26 174.09 3inb n ALA 9 N 5.80 1.91 -1.00 6.30 0.00 -1.26 -5.01 120.51 127.25 3inb n ALA 9 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3inb n ALA 9 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3inb n ALA 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3inb n MET 10 N -3.06 3.06 -2.75 0.00 2.81 -1.26 -3.78 117.12 112.14 3inb n MET 10 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 3inb n MET 10 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 3inb n MET 10 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3inb s GLU 11 N 0.00 0.33 0.00 0.03 2.12 0.20 -4.07 118.70 117.31 3inb s GLU 11 Ca 0.00 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 54.99 3inb s GLU 11 Cb 0.00 0.00 -0.11 0.00 0.26 0.00 0.00 34.13 34.29 3inb s GLU 11 CO 0.00 -0.44 1.12 1.28 -0.54 0.00 0.00 175.26 176.68 3inb n LEU 12 N 3.15 0.27 -4.97 2.70 4.32 -1.26 -3.94 117.00 117.27 3inb n LEU 12 Ca 0.10 -1.11 -0.21 0.00 -0.02 0.00 0.00 56.01 54.76 3inb n LEU 12 Cb 0.63 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 3inb n LEU 12 CO -0.09 -1.43 0.19 -0.51 -1.22 0.00 0.00 177.39 174.33 3inb s ILE 13 N 5.37 4.03 0.00 -0.08 2.07 -1.26 -4.94 121.20 126.39 3inb s ILE 13 Ca 0.20 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 3inb s ILE 13 Cb 0.04 -3.45 0.00 0.00 0.13 0.00 0.00 42.46 39.18 3inb s ILE 13 CO 0.10 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 3inb n GLY 14 N -1.90 -0.44 3.01 1.50 0.00 -1.26 -4.93 105.19 101.18 3inb n GLY 14 Ca 0.01 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3inb n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inb s LYS 15 N 0.00 1.73 0.10 1.61 -2.85 -1.26 -5.14 119.74 113.92 3inb s LYS 15 Ca 0.00 -0.41 -0.19 0.00 -1.00 0.00 0.00 55.97 54.38 3inb s LYS 15 Cb 0.00 -1.47 -0.07 0.00 -2.06 0.00 0.00 37.83 34.23 3inb s LYS 15 CO 0.00 -0.02 0.59 -2.14 0.10 0.00 0.00 175.35 173.88 3inb s PRO 16 N 0.82 4.19 -0.23 1.78 0.02 -1.26 -5.08 135.00 135.24 3inb s PRO 16 Ca -0.11 0.73 -0.17 0.00 0.02 0.00 0.00 61.00 61.46 3inb s PRO 16 Cb -0.15 -3.17 0.06 0.00 0.02 0.00 0.00 34.50 31.26 3inb s PRO 16 CO 0.02 0.60 0.59 0.21 -0.33 0.00 0.00 177.00 178.08 3inb s LYS 17 N -1.30 0.64 0.12 5.54 2.47 -1.26 -5.14 119.74 120.81 3inb s LYS 17 Ca 0.32 0.93 -0.35 0.00 -1.56 0.00 0.00 55.97 55.30 3inb s LYS 17 Cb -0.19 0.21 -0.16 0.00 -1.46 0.00 0.00 37.83 36.24 3inb s LYS 17 CO 0.19 -0.12 1.31 -2.30 0.16 0.00 0.00 175.35 174.59 3inb n PRO 18 N 3.47 1.24 -1.45 4.03 -0.02 -1.26 -4.97 135.00 136.03 3inb n PRO 18 Ca -0.17 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3inb n PRO 18 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3inb n PRO 18 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3inb n TYR 19 N 2.26 0.00 -0.94 6.00 -0.00 -1.26 -5.05 117.16 118.17 3inb n TYR 19 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.07 3inb n TYR 19 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.56 3inb n TYR 19 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 3inb n TYR 20 N 0.00 0.00 0.00 -3.48 9.36 -1.26 -4.74 117.16 117.04 3inb n TYR 20 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3inb n TYR 20 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3inb n TYR 20 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3inb n GLU 21 N 0.00 0.00 0.00 2.98 2.13 -1.26 -4.51 120.64 119.97 3inb n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3inb n GLU 21 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 3inb n GLU 21 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3inb n ILE 22 N 0.00 0.00 0.00 6.31 -5.35 -1.26 -5.14 119.36 113.92 3inb n ILE 22 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3inb n ILE 22 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3inb n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3inb n GLY 23 N 0.00 -1.92 2.80 3.28 0.00 -1.26 -4.67 105.19 103.42 3inb n GLY 23 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 3inb n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3inb s GLU 24 N -0.60 0.29 0.78 1.61 0.41 -1.26 -4.97 118.70 114.97 3inb s GLU 24 Ca 0.00 0.11 -0.14 0.00 -0.41 0.00 0.00 54.97 54.53 3inb s GLU 24 Cb 0.00 -0.54 0.04 0.00 -1.78 0.00 0.00 34.13 31.84 3inb s GLU 24 CO 0.00 -0.18 0.95 0.54 -0.49 0.00 0.00 175.26 176.08 3inb n ARG 25 N 4.39 0.25 -3.74 1.61 5.12 -1.13 -4.95 116.66 118.21 3inb n ARG 25 Ca -0.21 0.15 -0.26 0.00 -1.93 0.00 0.00 57.85 55.59 3inb n ARG 25 Cb 0.50 -2.23 -0.17 0.00 -1.16 0.00 0.00 32.46 29.41 3inb n ARG 25 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3inb s VAL 26 N -2.03 0.45 0.00 1.55 -7.23 -1.26 -3.59 120.40 108.29 3inb s VAL 26 Ca 0.71 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 3inb s VAL 26 Cb -0.31 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 35.79 3inb s VAL 26 CO 0.53 -0.05 0.00 0.47 -0.31 0.00 0.00 175.10 175.75 3inb n ASP 27 N 5.09 0.00 0.00 4.85 8.00 -1.10 -4.99 116.55 128.41 3inb n ASP 27 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3inb n ASP 27 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3inb n ASP 27 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3inb n TYR 28 N 1.28 0.00 -4.34 1.24 4.01 -1.26 -4.50 117.16 113.59 3inb n TYR 28 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 3inb n TYR 28 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3inb n TYR 28 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3inb s LYS 29 N 1.14 2.09 0.01 -0.72 2.20 -1.25 -4.97 119.74 118.24 3inb s LYS 29 Ca 0.00 -1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 54.06 3inb s LYS 29 Cb 0.00 -2.06 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 3inb s LYS 29 CO 0.00 0.37 0.29 0.00 -0.36 0.00 0.00 175.35 175.65 3inb s LYS 31 N -1.73 4.28 -0.08 0.00 1.02 -1.25 -4.77 119.74 117.21 3inb s LYS 31 Ca 0.28 1.42 -0.20 0.00 0.02 0.00 0.00 55.97 57.49 3inb s LYS 31 Cb -0.13 -3.64 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 3inb s LYS 31 CO 0.16 -0.59 0.58 1.17 -0.92 0.00 0.00 175.35 175.75 3inb n LYS 32 N 6.12 0.00 -2.55 1.68 4.81 -1.26 -2.24 118.16 124.72 3inb n LYS 32 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.54 3inb n LYS 32 Cb 0.46 -0.69 0.00 0.00 0.02 0.00 0.00 35.03 34.83 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 1.11 0.86 2.63 3.14 0.00 -1.25 -4.96 105.19 106.73 3inb n GLY 33 Ca 0.11 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 3inb n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inb n TYR 34 N -2.61 -0.72 -3.53 1.61 4.02 -0.95 -3.75 117.16 111.23 3inb n TYR 34 Ca 0.00 -2.25 -0.13 0.00 -0.01 0.00 0.00 57.90 55.51 3inb n TYR 34 Cb 0.50 0.26 -0.05 0.00 -0.02 0.00 0.00 39.34 40.04 3inb n TYR 34 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 3inb s PHE 35 N -3.12 -0.49 -0.46 -0.72 -0.71 -0.94 -4.89 117.98 106.65 3inb s PHE 35 Ca 0.32 0.72 -0.17 0.00 -1.04 0.00 0.00 56.93 56.76 3inb s PHE 35 Cb 0.01 0.46 0.04 0.00 -1.21 0.00 0.00 43.02 42.33 3inb s PHE 35 CO 0.22 -0.52 0.48 -0.47 -1.34 0.00 0.00 175.22 173.59 3inb s TYR 36 N -1.70 3.16 -0.14 3.49 5.04 -1.26 -0.77 117.35 125.16 3inb s TYR 36 Ca -0.04 -0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 53.97 3inb s TYR 36 Cb -0.00 -3.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.14 3inb s TYR 36 CO 0.02 -0.81 0.11 0.96 -1.34 0.00 0.00 175.55 174.49 3inb s ILE 37 N 2.15 5.27 1.32 3.14 -5.25 -1.15 -5.00 121.20 121.68 3inb s ILE 37 Ca 0.11 0.12 -0.21 0.00 -0.99 0.00 0.00 60.65 59.69 3inb s ILE 37 Cb -0.19 -3.32 0.32 0.00 2.95 0.00 0.00 42.46 42.22 3inb s ILE 37 CO 0.12 0.56 0.72 -2.65 -1.79 0.00 0.00 174.94 171.90 3inb n PRO 38 N 2.54 -4.07 0.01 0.37 -0.02 -1.26 -4.53 135.00 128.04 3inb n PRO 38 Ca -0.18 -1.21 0.11 0.00 -2.02 0.00 0.00 63.50 60.19 3inb n PRO 38 Cb 0.54 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 3inb n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3inb n PRO 39 N -4.50 0.26 -1.65 0.52 -0.05 -1.26 -4.98 135.00 123.34 3inb n PRO 39 Ca 0.11 -0.04 -0.40 0.00 -0.05 0.00 0.00 63.50 63.13 3inb n PRO 39 Cb 0.51 -1.55 0.03 0.00 -0.05 0.00 0.00 33.50 32.43 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 -1.87 3.56 -4.49 1.53 4.77 -1.26 -4.77 117.00 114.46 3inb n LEU 40 Ca 0.02 0.99 -0.46 0.00 -0.03 0.00 0.00 56.01 56.53 3inb n LEU 40 Cb 0.43 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.03 3inb n LEU 40 CO 0.42 -1.28 1.90 0.00 -1.33 0.00 0.00 177.39 177.10 3inb n ALA 41 N -0.80 1.05 -2.11 -1.18 0.00 -1.26 -4.83 120.51 111.37 3inb n ALA 41 Ca 0.10 -0.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 3inb n ALA 41 Cb 0.42 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.17 3inb n ALA 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3inb n THR 42 N 7.48 4.99 -3.88 0.00 5.66 -1.26 -4.23 114.28 123.04 3inb n THR 42 Ca 0.41 -4.64 -0.10 0.00 -3.05 0.00 0.00 64.05 56.68 3inb n THR 42 Cb 0.30 -1.71 -0.06 0.00 -1.55 0.00 0.00 70.33 67.31 3inb n THR 42 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3inb s HIS 43 N -2.67 0.21 -0.29 1.09 3.76 -1.26 -2.70 115.29 113.43 3inb s HIS 43 Ca 0.50 -0.57 -0.22 0.00 -0.15 0.00 0.00 55.06 54.62 3inb s HIS 43 Cb 0.25 0.09 0.15 0.00 1.11 0.00 0.00 32.58 34.18 3inb s HIS 43 CO -0.17 -0.77 1.12 -0.08 -0.85 0.00 0.00 174.74 174.00 3inb s THR 44 N -3.93 0.00 -0.01 1.30 -1.32 -1.24 -4.35 115.64 106.09 3inb s THR 44 Ca 0.13 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.55 3inb s THR 44 Cb 0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3inb s THR 44 CO -0.02 0.00 0.13 -0.63 -2.21 0.00 0.00 174.62 171.89 3inb s ILE 45 N 0.52 0.06 0.42 5.08 1.01 -1.26 -2.84 121.20 124.20 3inb s ILE 45 Ca 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 3inb s ILE 45 Cb -0.04 -0.37 -0.08 0.00 0.01 0.00 0.00 42.46 41.97 3inb s ILE 45 CO -0.11 -0.29 1.13 0.00 0.00 0.00 0.00 174.94 175.67 3inb s ASP 47 N -1.36 3.80 0.14 0.00 -1.08 0.31 -4.93 116.67 113.56 3inb s ASP 47 Ca 0.60 -1.45 -0.22 0.00 -0.52 0.00 0.00 52.55 50.95 3inb s ASP 47 Cb -0.27 -0.13 0.01 0.00 -1.46 0.00 0.00 42.92 41.08 3inb s ASP 47 CO 0.33 -0.57 1.65 -0.09 0.52 0.00 0.00 175.17 177.01 3inb h ARG 48 N 1.69 -0.22 0.00 4.34 9.65 -1.99 0.16 114.38 128.02 3inb h ARG 48 Ca -0.44 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 3inb h ARG 48 Cb 1.26 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3inb h ARG 48 CO 0.78 -0.14 0.00 0.09 2.80 0.00 0.00 179.97 183.50 3inb n ASN 49 N -5.35 0.00 -2.83 -3.80 3.02 -1.26 -4.79 115.26 100.25 3inb n ASN 49 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3inb n ASN 49 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3inb n ASN 49 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3inb n HIS 50 N -0.13 0.00 -3.64 3.10 8.25 0.58 -4.89 115.22 118.48 3inb n HIS 50 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3inb n HIS 50 Cb 0.00 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.16 3inb n HIS 50 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3inb s THR 51 N -0.03 0.00 -0.06 1.59 -4.23 -1.24 -4.30 115.64 107.37 3inb s THR 51 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 3inb s THR 51 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 3inb s THR 51 CO 0.00 0.00 -0.06 0.26 -0.54 0.00 0.00 174.62 174.28 3inb s TRP 52 N -1.37 1.04 0.25 3.99 0.51 -1.26 0.11 118.94 122.22 3inb s TRP 52 Ca 0.10 -0.37 0.01 0.00 -2.12 0.00 0.00 56.10 53.71 3inb s TRP 52 Cb -0.01 -0.88 0.05 0.00 -0.81 0.00 0.00 33.47 31.82 3inb s TRP 52 CO -0.06 -0.29 0.35 -0.11 -0.51 0.00 0.00 176.95 176.33 3inb n LEU 53 N 4.29 0.00 0.00 2.99 7.94 -1.17 -4.80 117.00 126.25 3inb n LEU 53 Ca -0.20 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 53.91 3inb n LEU 53 Cb 0.51 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3inb n LEU 53 CO 0.21 -0.66 0.00 -2.65 -1.11 0.00 0.00 177.39 173.18 3inb n PRO 54 N -1.63 0.00 0.00 1.96 -0.02 -1.26 -4.17 135.00 129.88 3inb n PRO 54 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3inb n PRO 54 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3inb n PRO 54 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3inb n VAL 55 N 0.00 0.00 -3.97 -1.45 3.14 -1.26 -4.85 118.33 109.94 3inb n VAL 55 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 3inb n VAL 55 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 3inb n VAL 55 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3inb s SER 56 N 0.00 -0.09 0.00 6.55 0.01 -1.26 -5.03 113.70 113.88 3inb s SER 56 Ca 0.00 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.37 3inb s SER 56 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 3inb s SER 56 CO 0.00 -1.20 0.01 -0.90 0.41 0.00 0.00 173.24 171.56 3inb n ASP 57 N -0.45 0.02 -0.35 2.44 5.75 -1.26 -4.83 116.55 117.87 3inb n ASP 57 Ca -0.02 -0.35 0.06 0.00 -0.01 0.00 0.00 54.79 54.47 3inb n ASP 57 Cb 0.61 0.05 0.14 0.00 -1.03 0.00 0.00 41.12 40.90 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 -0.88 -0.43 -1.12 3.45 -1.95 0.89 116.42 116.38 3inb h ASP 58 Ca 0.00 0.29 0.12 0.00 0.43 0.00 0.00 57.03 57.87 3inb h ASP 58 Cb 0.15 0.60 -0.02 0.00 -0.56 0.00 0.00 39.33 39.50 3inb h ASP 58 CO 0.00 -0.32 0.42 0.00 -1.57 0.00 0.00 179.24 177.76 3inb h ALA 59 N 1.97 2.17 -1.99 3.45 0.00 -1.88 -3.35 119.26 119.64 3inb h ALA 59 Ca 0.47 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.75 3inb h ALA 59 Cb 0.74 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 3inb h ALA 59 CO -1.00 -0.64 0.44 0.00 0.00 0.00 0.00 179.25 178.05 3inb s TYR 61 N 3.48 3.49 -0.18 0.00 1.51 0.05 -4.82 117.35 120.87 3inb s TYR 61 Ca 0.32 0.32 -0.18 0.00 -1.01 0.00 0.00 57.07 56.52 3inb s TYR 61 Cb -0.12 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3inb s TYR 61 CO 0.23 0.22 0.47 1.03 -1.11 0.00 0.00 175.55 176.40 3inb s ARG 62 N -4.01 4.22 1.11 -0.62 3.00 -1.26 -2.21 118.95 119.18 3inb s ARG 62 Ca 0.39 0.36 -0.16 0.00 0.00 0.00 0.00 55.73 56.32 3inb s ARG 62 Cb -0.10 -3.53 0.15 0.00 0.00 0.00 0.00 34.95 31.48 3inb s ARG 62 CO 0.33 -0.05 0.40 0.39 0.00 0.00 0.00 175.30 176.37 3inb n GLU 63 N 4.45 -1.66 -4.00 3.54 1.02 -1.25 -4.72 120.64 118.03 3inb n GLU 63 Ca -0.06 -0.46 -0.11 0.00 -0.02 0.00 0.00 57.16 56.51 3inb n GLU 63 Cb 0.51 -1.89 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 3inb n GLU 63 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3inb s THR 64 N -2.32 0.22 0.22 2.62 -4.23 -1.26 -2.32 115.64 108.57 3inb s THR 64 Ca 0.60 -0.78 -0.14 0.00 -1.18 0.00 0.00 61.69 60.19 3inb s THR 64 Cb -0.17 -0.31 -0.08 0.00 1.34 0.00 0.00 72.50 73.27 3inb s THR 64 CO 0.66 -0.36 0.62 0.00 -0.54 0.00 0.00 174.62 175.00 3inb n PRO 66 N 0.30 0.00 -1.86 0.00 -0.02 -1.26 -4.91 135.00 127.24 3inb n PRO 66 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 3inb n PRO 66 Cb 0.52 -0.89 0.02 0.00 -0.02 0.00 0.00 33.50 33.14 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 -1.77 3.17 -0.16 6.00 6.14 -1.26 -5.05 117.35 124.41 3inb s TYR 67 Ca 0.37 1.44 -0.01 0.00 0.64 0.00 0.00 57.07 59.51 3inb s TYR 67 Cb -0.18 -2.90 0.04 0.00 0.42 0.00 0.00 41.96 39.34 3inb s TYR 67 CO 0.72 -1.03 -0.03 0.42 0.64 0.00 0.00 175.55 176.27 3inb s ILE 68 N -2.81 0.92 -0.02 3.14 1.01 -1.26 -5.11 121.20 117.07 3inb s ILE 68 Ca 0.60 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 3inb s ILE 68 Cb -0.14 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3inb s ILE 68 CO 0.46 0.06 1.16 -0.60 0.00 0.00 0.00 174.94 176.02 3inb s ARG 69 N 1.71 4.41 0.10 2.79 3.52 -1.26 -4.92 118.95 125.29 3inb s ARG 69 Ca 0.01 1.65 -0.36 0.00 -0.13 0.00 0.00 55.73 56.89 3inb s ARG 69 Cb -0.15 -3.49 -0.17 0.00 -1.56 0.00 0.00 34.95 29.58 3inb s ARG 69 CO -0.07 -0.33 1.32 -0.25 -0.81 0.00 0.00 175.30 175.15 3inb n ASP 70 N 4.67 1.63 -4.74 -2.12 9.92 -1.26 -4.88 116.55 119.76 3inb n ASP 70 Ca 0.10 1.12 -0.31 0.00 -0.53 0.00 0.00 54.79 55.17 3inb n ASP 70 Cb 0.47 -1.20 0.11 0.00 -0.64 0.00 0.00 41.12 39.86 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 0.38 1.97 -0.82 -0.24 0.04 -0.96 -4.81 135.00 130.55 3inb s PRO 71 Ca 0.83 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3inb s PRO 71 Cb -0.94 -1.86 -0.17 0.00 0.04 0.00 0.00 34.50 31.58 3inb s PRO 71 CO 0.47 -1.88 2.58 1.28 0.04 0.00 0.00 177.00 179.50 3inb n LEU 72 N -3.61 0.94 -0.47 -3.56 4.77 -1.26 -1.26 117.00 112.55 3inb n LEU 72 Ca 0.10 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3inb n LEU 72 Cb 0.53 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 3inb n LEU 72 CO 0.52 -0.96 0.00 0.59 -1.33 0.00 0.00 177.39 176.20 3inb n ASN 73 N 11.91 -1.87 -3.64 -1.43 3.02 -1.26 -4.10 115.26 117.89 3inb n ASN 73 Ca 0.57 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 55.09 3inb n ASN 73 Cb 0.18 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.94 0.02 0.72 7.41 0.00 -0.39 -2.31 107.32 109.84 3inb s GLY 74 Ca 0.00 2.64 -0.12 0.00 0.00 0.00 0.00 44.72 47.23 3inb s GLY 74 CO 0.00 1.03 0.87 -1.06 0.00 0.00 0.00 173.10 173.95 3inb n GLN 75 N 0.46 -1.33 -2.78 2.90 6.02 -1.12 -2.28 117.38 119.25 3inb n GLN 75 Ca -0.00 -1.36 -0.11 0.00 -0.01 0.00 0.00 57.00 55.52 3inb n GLN 75 Cb 0.59 -1.00 0.03 0.00 1.02 0.00 0.00 30.24 30.88 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 -3.78 2.55 -1.67 -1.58 0.00 -1.26 -3.79 120.51 110.97 3inb n ALA 76 Ca -0.15 -2.82 -0.45 0.00 0.00 0.00 0.00 53.44 50.02 3inb n ALA 76 Cb 0.40 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.05 0.61 -2.45 0.00 0.31 -1.21 -4.72 118.33 110.83 3inb n VAL 77 Ca 0.10 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3inb n VAL 77 Cb 0.78 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 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 3.98 3.95 0.18 5.55 0.02 -1.26 -0.87 135.00 146.55 3inb s PRO 78 Ca 0.90 1.25 -0.14 0.00 0.02 0.00 0.00 61.00 63.03 3inb s PRO 78 Cb -0.58 -3.85 0.17 0.00 0.02 0.00 0.00 34.50 30.26 3inb s PRO 78 CO 0.46 -1.07 1.69 0.00 -0.33 0.00 0.00 177.00 177.76 3inb h ALA 79 N 9.07 0.45 -0.02 -1.55 0.00 -1.02 -1.37 119.26 124.83 3inb h ALA 79 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3inb h ALA 79 Cb 1.09 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3inb h ALA 79 CO 1.03 -0.38 -0.02 0.09 0.00 0.00 0.00 179.25 179.98 3inb n ASN 80 N -5.20 2.56 -0.59 0.00 5.03 -1.26 -4.98 115.26 110.81 3inb n ASN 80 Ca 0.05 -1.78 0.00 0.00 0.87 0.00 0.00 54.58 53.72 3inb n ASN 80 Cb 0.25 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 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 1.09 0.65 3.60 7.41 0.00 -0.52 -5.09 105.19 112.32 3inb n GLY 81 Ca 0.11 -0.41 -0.09 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 -2.57 0.00 -0.38 2.61 -1.32 -1.26 -5.00 115.64 107.72 3inb s THR 82 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 3inb s THR 82 Cb 0.00 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.46 3inb s THR 82 CO 0.00 0.00 1.47 -1.22 -2.21 0.00 0.00 174.62 172.66 3inb n TYR 83 N 1.08 1.70 -1.44 9.09 4.02 -1.26 -4.75 117.16 125.59 3inb n TYR 83 Ca -0.10 -0.98 -0.30 0.00 -0.01 0.00 0.00 57.90 56.51 3inb n TYR 83 Cb 0.57 -0.56 0.20 0.00 -0.02 0.00 0.00 39.34 39.53 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 -2.12 -0.06 0.32 -0.72 2.02 -1.26 -0.56 118.70 116.31 3inb s GLU 84 Ca 0.36 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 3inb s GLU 84 Cb 0.29 -1.73 -0.10 0.00 0.10 0.00 0.00 34.13 32.69 3inb s GLU 84 CO 0.08 -2.94 1.34 -0.59 0.02 0.00 0.00 175.26 173.17 3inb s PHE 85 N -3.33 3.01 -1.01 1.61 -0.71 -0.98 -3.84 117.98 112.73 3inb s PHE 85 Ca 0.70 1.33 -0.05 0.00 -1.04 0.00 0.00 56.93 57.87 3inb s PHE 85 Cb -0.09 -3.73 0.01 0.00 -1.21 0.00 0.00 43.02 37.99 3inb s PHE 85 CO 0.55 -2.07 0.87 0.41 -1.34 0.00 0.00 175.22 173.63 3inb n GLY 86 N 1.02 -0.19 0.00 1.99 0.00 0.17 -5.00 105.19 103.18 3inb n GLY 86 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.11 0.00 -4.00 1.61 4.01 -1.25 -4.94 117.16 108.48 3inb n TYR 87 Ca -0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 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 -0.77 0.35 -0.27 -0.72 -2.07 -1.26 -0.85 119.66 114.07 3inb s GLN 88 Ca 0.00 -0.65 -0.15 0.00 -1.82 0.00 0.00 55.36 52.75 3inb s GLN 88 Cb 0.00 0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 3inb s GLN 88 CO 0.00 -0.04 0.36 1.41 -1.32 0.00 0.00 175.29 175.70 3inb s MET 89 N -1.53 4.00 0.55 9.60 -2.45 -0.88 -0.33 119.30 128.26 3inb s MET 89 Ca -0.15 0.00 -0.04 0.00 -1.25 0.00 0.00 55.69 54.26 3inb s MET 89 Cb -0.10 -3.66 0.01 0.00 1.25 0.00 0.00 34.83 32.33 3inb s MET 89 CO -0.01 -0.27 0.84 -1.01 1.05 0.00 0.00 175.02 175.61 3inb s HIS 90 N 2.04 3.23 -0.20 4.11 3.76 -0.05 -0.91 115.29 127.27 3inb s HIS 90 Ca 0.14 0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 55.52 3inb s HIS 90 Cb -0.16 -2.63 0.07 0.00 1.11 0.00 0.00 32.58 30.97 3inb s HIS 90 CO 0.10 -0.71 0.08 -0.06 -0.85 0.00 0.00 174.74 173.30 3inb s PHE 91 N -2.87 0.54 0.36 1.40 0.40 -0.69 -3.34 117.98 113.79 3inb s PHE 91 Ca 0.53 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 3inb s PHE 91 Cb -0.10 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 3inb s PHE 91 CO 0.43 -0.60 0.61 0.42 0.70 0.00 0.00 175.22 176.78 3inb s ILE 92 N 2.02 5.01 -0.01 0.64 1.01 -1.25 -4.90 121.20 123.72 3inb s ILE 92 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3inb s ILE 92 Cb -0.16 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 3inb s ILE 92 CO -0.13 -0.53 -0.20 0.00 0.00 0.00 0.00 174.94 174.08 3inb s ASN 94 N -0.51 7.01 -0.26 0.00 0.01 -0.98 -4.85 114.94 115.36 3inb s ASN 94 Ca 0.08 1.98 -0.40 0.00 -0.71 0.00 0.00 52.86 53.81 3inb s ASN 94 Cb -0.08 -2.59 -0.18 0.00 0.41 0.00 0.00 41.25 38.81 3inb s ASN 94 CO -0.01 -0.31 1.25 1.21 -1.51 0.00 0.00 177.10 177.73 3inb n GLU 95 N 0.25 0.00 -0.04 -0.60 2.13 -1.26 -1.13 120.64 119.99 3inb n GLU 95 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3inb n GLU 95 Cb 0.49 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.85 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 2.68 0.62 3.22 8.31 0.00 -1.26 -5.07 105.19 113.68 3inb n GLY 96 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 1.36 0.14 1.61 1.51 -0.29 -2.16 117.35 117.46 3inb s TYR 97 Ca 0.00 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3inb s TYR 97 Cb 0.00 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 3inb s TYR 97 CO 0.00 0.12 -0.08 1.52 -1.11 0.00 0.00 175.55 176.00 3inb s TYR 98 N -1.82 1.17 0.35 2.71 1.13 0.27 -4.64 117.35 116.52 3inb s TYR 98 Ca 0.05 -0.83 -0.14 0.00 -1.41 0.00 0.00 57.07 54.74 3inb s TYR 98 Cb -0.07 -0.62 -0.08 0.00 -1.10 0.00 0.00 41.96 40.09 3inb s TYR 98 CO 0.03 -0.01 0.76 -1.17 -2.51 0.00 0.00 175.55 172.64 3inb s LEU 99 N -3.14 3.99 -0.39 -3.49 0.20 -1.26 -2.37 118.68 112.21 3inb s LEU 99 Ca 0.16 1.26 0.04 0.00 0.69 0.00 0.00 54.13 56.28 3inb s LEU 99 Cb 0.04 -4.09 0.16 0.00 -0.43 0.00 0.00 46.19 41.87 3inb s LEU 99 CO -0.00 -0.27 0.40 -0.63 -0.29 0.00 0.00 176.35 175.56 3inb s ILE 100 N -2.11 -0.28 -3.85 6.68 1.01 -1.22 -4.91 121.20 116.52 3inb s ILE 100 Ca 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3inb s ILE 100 Cb -0.10 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3inb s ILE 100 CO 0.21 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 175.12 3inb n GLY 101 N 3.87 -0.44 3.29 6.18 0.00 -1.26 -2.33 105.19 114.49 3inb n GLY 101 Ca 0.15 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 2.67 0.32 1.61 2.02 -1.26 -4.94 118.70 117.12 3inb s GLU 102 Ca 0.00 -1.44 0.07 0.00 0.02 0.00 0.00 54.97 53.62 3inb s GLU 102 Cb 0.00 -3.84 0.37 0.00 0.10 0.00 0.00 34.13 30.76 3inb s GLU 102 CO 0.00 -0.96 1.03 -1.91 0.02 0.00 0.00 175.26 173.43 3inb n GLU 103 N 4.97 0.05 -3.74 1.61 2.13 -1.26 -4.41 120.64 119.99 3inb n GLU 103 Ca -0.10 0.52 -0.12 0.00 0.66 0.00 0.00 57.16 58.11 3inb n GLU 103 Cb 0.43 -2.18 -0.11 0.00 0.27 0.00 0.00 31.44 29.85 3inb n GLU 103 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3inb s ILE 104 N -3.15 -0.01 0.25 6.31 1.01 -1.26 -1.69 121.20 122.66 3inb s ILE 104 Ca -0.01 0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.79 3inb s ILE 104 Cb 0.02 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 3inb s ILE 104 CO 0.06 0.02 -0.19 -0.76 0.00 0.00 0.00 174.94 174.07 3inb s LEU 105 N 0.55 2.57 -0.06 2.97 1.43 -0.09 -5.00 118.68 121.06 3inb s LEU 105 Ca -0.03 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.11 3inb s LEU 105 Cb -0.05 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 3inb s LEU 105 CO -0.03 -0.01 -0.24 -0.31 0.23 0.00 0.00 176.35 175.98 3inb s TYR 106 N -2.58 2.46 -0.42 0.29 2.02 -1.26 -2.07 117.35 115.79 3inb s TYR 106 Ca 0.27 -0.66 -0.25 0.00 -0.37 0.00 0.00 57.07 56.05 3inb s TYR 106 Cb -0.04 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 3inb s TYR 106 CO 0.12 -0.18 0.90 0.00 -1.57 0.00 0.00 175.55 174.83 3inb s GLU 108 N 3.58 3.45 0.00 0.00 2.02 -0.50 0.46 118.70 127.71 3inb s GLU 108 Ca 0.36 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3inb s GLU 108 Cb -0.11 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3inb s GLU 108 CO 0.23 0.10 0.87 1.28 0.02 0.00 0.00 175.26 177.76 3inb n LEU 109 N 3.89 2.38 -4.54 1.80 4.32 -1.26 -1.64 117.00 121.95 3inb n LEU 109 Ca -0.18 -1.10 -0.21 0.00 -0.02 0.00 0.00 56.01 54.50 3inb n LEU 109 Cb 0.52 -0.48 -0.11 0.00 -1.62 0.00 0.00 43.42 41.73 3inb n LEU 109 CO 0.31 0.44 1.64 1.17 -1.22 0.00 0.00 177.39 179.72 3inb n LYS 110 N 1.40 0.46 0.00 3.23 4.81 -1.26 -4.47 118.16 122.34 3inb n LYS 110 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 3inb n LYS 110 Cb 0.26 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.47 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 6.34 -0.82 0.17 3.14 0.00 -1.26 -4.36 105.19 108.40 3inb n GLY 111 Ca 0.52 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 1.07 0.00 -1.66 1.61 4.64 -1.93 -3.44 113.55 113.85 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 -2.76 0.00 -3.13 0.95 3.14 -1.26 -3.78 118.33 111.49 3inb n VAL 113 Ca 0.05 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.23 3inb n VAL 113 Cb 0.49 -1.29 -0.05 0.00 -1.06 0.00 0.00 33.84 31.93 3inb n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3inb n ALA 114 N -3.00 1.25 -1.08 1.55 0.00 -1.26 -4.17 120.51 113.80 3inb n ALA 114 Ca 0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 53.44 50.78 3inb n ALA 114 Cb 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 18.59 3inb n ALA 114 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3inb n ILE 115 N 2.31 0.00 0.00 0.00 5.41 -0.65 -4.18 119.36 122.25 3inb n ILE 115 Ca 0.22 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3inb n ILE 115 Cb 0.53 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 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 -3.69 0.00 -1.70 1.39 7.02 -1.26 -1.40 117.44 117.80 3inb n TRP 116 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 3inb n TRP 116 Cb 0.32 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 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 -3.76 113.62 111.13 3inb n SER 117 Ca 0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 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 1.94 3.76 5.00 0.00 -1.26 -4.92 105.19 109.72 3inb n GLY 118 Ca 0.00 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 2.58 0.76 1.61 -0.14 -1.26 -4.99 119.74 116.30 3inb s LYS 119 Ca 0.00 1.37 -0.11 0.00 -1.36 0.00 0.00 55.97 55.88 3inb s LYS 119 Cb 0.00 -1.92 0.06 0.00 -1.68 0.00 0.00 37.83 34.28 3inb s LYS 119 CO 0.00 -1.42 1.12 -2.14 -0.76 0.00 0.00 175.35 172.15 3inb s PRO 120 N -4.27 2.29 0.64 -1.68 0.02 -1.26 -4.65 135.00 126.08 3inb s PRO 120 Ca 0.66 0.15 -0.11 0.00 0.02 0.00 0.00 61.00 61.73 3inb s PRO 120 Cb -0.20 -2.02 0.15 0.00 0.02 0.00 0.00 34.50 32.45 3inb s PRO 120 CO 0.45 -1.35 0.67 -2.30 -0.33 0.00 0.00 177.00 174.15 3inb n PRO 121 N -3.14 -1.62 -3.08 5.54 -0.02 -1.26 -4.79 135.00 126.62 3inb n PRO 121 Ca 0.08 -1.06 -0.16 0.00 -2.02 0.00 0.00 63.50 60.34 3inb n PRO 121 Cb 0.60 -0.87 -0.02 0.00 -0.02 0.00 0.00 33.50 33.20 3inb n PRO 121 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3inb n ILE 122 N -3.52 0.00 -2.71 4.25 2.08 -0.98 -4.93 119.36 113.55 3inb n ILE 122 Ca 0.09 -1.24 -0.09 0.00 0.56 0.00 0.00 62.75 62.06 3inb n ILE 122 Cb 0.33 -0.01 0.04 0.00 -0.75 0.00 0.00 39.64 39.25 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 -0.13 0.17 -3.95 0.00 4.07 -1.00 -4.27 120.64 115.52 3inb n GLU 124 Ca 0.08 0.08 -0.27 0.00 -0.06 0.00 0.00 57.16 56.99 3inb n GLU 124 Cb 0.81 -1.55 -0.04 0.00 -0.06 0.00 0.00 31.44 30.61 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 -2.35 3.37 0.00 5.31 -2.85 -1.26 0.96 119.74 122.93 3inb s LYS 125 Ca 0.60 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 3inb s LYS 125 Cb -0.35 -2.95 0.00 0.00 -2.06 0.00 0.00 37.83 32.48 3inb s LYS 125 CO 0.64 0.54 0.28 1.33 0.10 0.00 0.00 175.35 178.24