#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tg6 h LEU 2 N 0.00 0.00 -8.35 2.45 -0.00 -2.12 -3.47 115.31 103.82 1tg6 h LEU 2 Ca 0.00 -0.15 -0.67 0.00 -0.00 0.00 0.00 57.88 57.07 1tg6 h LEU 2 Cb 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 40.35 1tg6 h LEU 2 CO 0.00 0.07 -0.80 -0.63 -0.00 0.00 0.00 178.44 177.08 1tg6 s ILE 3 N -3.15 2.65 0.38 0.15 1.01 -1.26 -5.06 121.20 115.92 1tg6 s ILE 3 Ca 0.07 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1tg6 s ILE 3 Cb 0.13 -2.13 -0.13 0.00 0.01 0.00 0.00 42.46 40.35 1tg6 s ILE 3 CO 0.69 0.51 0.74 -2.65 0.00 0.00 0.00 174.94 174.23 1tg6 n PRO 4 N 4.15 0.86 -4.14 2.79 -0.02 -1.26 -4.84 135.00 132.53 1tg6 n PRO 4 Ca -0.19 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.24 1tg6 n PRO 4 Cb 0.52 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1tg6 n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1tg6 s ILE 5 N -1.31 4.85 0.00 4.25 1.09 -1.26 -2.19 121.20 126.64 1tg6 s ILE 5 Ca 0.62 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 1tg6 s ILE 5 Cb -0.64 -3.09 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 1tg6 s ILE 5 CO 0.58 0.58 0.00 1.33 -0.10 0.00 0.00 174.94 177.33 1tg6 n VAL 6 N 1.96 0.00 1.67 2.92 0.24 -1.26 -4.86 118.33 119.00 1tg6 n VAL 6 Ca -0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.20 1tg6 n VAL 6 Cb 0.54 -0.36 0.49 0.00 -1.47 0.00 0.00 33.84 33.04 1tg6 n VAL 6 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1tg6 n VAL 7 N 0.00 0.00 0.00 3.34 0.31 -1.26 -4.88 118.33 115.84 1tg6 n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1tg6 n VAL 7 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1tg6 n VAL 7 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1tg6 n TYR 17 N -0.81 0.00 -0.26 3.52 4.02 -1.26 -5.06 117.16 117.31 1tg6 n TYR 17 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.92 1tg6 n TYR 17 Cb 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1tg6 n TYR 17 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1tg6 n ASP 18 N 0.00 -1.41 -0.31 7.72 5.75 -1.26 -4.52 116.55 122.52 1tg6 n ASP 18 Ca 0.00 0.06 0.05 0.00 -0.01 0.00 0.00 54.79 54.89 1tg6 n ASP 18 Cb 0.00 -0.19 0.19 0.00 -1.03 0.00 0.00 41.12 40.09 1tg6 n ASP 18 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1tg6 h ILE 19 N -0.21 0.88 -0.03 2.12 6.09 -1.76 -0.42 117.51 124.19 1tg6 h ILE 19 Ca -0.11 -0.28 -0.24 0.00 -1.37 0.00 0.00 64.86 62.86 1tg6 h ILE 19 Cb 0.33 0.00 0.01 0.00 0.47 0.00 0.00 36.82 37.63 1tg6 h ILE 19 CO 0.07 0.15 -0.95 1.88 -3.07 0.00 0.00 178.15 176.22 1tg6 h TYR 20 N 0.81 0.87 -0.30 2.19 -1.99 -1.94 -2.86 116.97 113.74 1tg6 h TYR 20 Ca 0.43 -0.45 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 1tg6 h TYR 20 Cb 0.45 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 1tg6 h TYR 20 CO -0.05 1.28 0.07 0.77 -0.00 0.00 0.00 178.16 180.23 1tg6 h SER 21 N 0.35 0.39 -0.46 3.88 0.02 -1.74 -0.82 113.55 115.16 1tg6 h SER 21 Ca -0.10 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1tg6 h SER 21 Cb 1.59 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 1tg6 h SER 21 CO 0.18 0.40 0.05 -0.09 -1.14 0.00 0.00 176.83 176.23 1tg6 h ARG 22 N 0.42 0.79 -0.16 3.45 9.65 -1.04 -2.43 114.38 125.07 1tg6 h ARG 22 Ca 0.10 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.68 1tg6 h ARG 22 Cb 0.17 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1tg6 h ARG 22 CO -0.00 0.82 -0.23 -0.07 2.80 0.00 0.00 179.97 183.28 1tg6 h LEU 23 N 0.65 0.27 -1.27 3.80 4.07 -1.10 -2.10 115.31 119.63 1tg6 h LEU 23 Ca 0.14 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1tg6 h LEU 23 Cb 0.43 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1tg6 h LEU 23 CO 0.01 0.51 0.49 0.25 -1.08 0.00 0.00 178.44 178.62 1tg6 h LEU 24 N 0.25 0.85 -2.82 1.67 6.46 -0.72 0.31 115.31 121.32 1tg6 h LEU 24 Ca 0.04 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1tg6 h LEU 24 Cb 0.55 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1tg6 h LEU 24 CO 0.04 0.62 -0.00 0.03 -0.62 0.00 0.00 178.44 178.51 1tg6 h ARG 25 N 1.00 0.00 -0.67 1.25 3.08 -0.96 0.32 114.38 118.41 1tg6 h ARG 25 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1tg6 h ARG 25 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1tg6 h ARG 25 CO -0.06 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.94 1tg6 n GLU 26 N -3.19 3.34 -2.75 0.04 4.07 0.10 -4.92 120.64 117.33 1tg6 n GLU 26 Ca -0.03 -2.67 -0.18 0.00 -0.06 0.00 0.00 57.16 54.22 1tg6 n GLU 26 Cb 0.09 -1.78 0.02 0.00 -0.06 0.00 0.00 31.44 29.71 1tg6 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1tg6 n ARG 27 N 1.20 -3.44 -3.94 5.31 1.74 0.11 -4.86 116.66 112.79 1tg6 n ARG 27 Ca 0.24 0.79 -0.35 0.00 -0.77 0.00 0.00 57.85 57.75 1tg6 n ARG 27 Cb 0.78 -5.32 -0.13 0.00 -1.02 0.00 0.00 32.46 26.78 1tg6 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tg6 s ILE 28 N -3.02 3.94 -0.08 0.55 1.01 -0.83 -1.01 121.20 121.76 1tg6 s ILE 28 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1tg6 s ILE 28 Cb -0.08 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1tg6 s ILE 28 CO 0.24 0.40 -0.14 -0.69 0.00 0.00 0.00 174.94 174.75 1tg6 s VAL 29 N 1.29 3.05 -0.20 2.92 1.01 0.13 -3.61 120.40 124.98 1tg6 s VAL 29 Ca 0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1tg6 s VAL 29 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1tg6 s VAL 29 CO 0.01 0.56 0.05 0.00 0.00 0.00 0.00 175.10 175.73 1tg6 s VAL 31 N 0.85 3.22 0.02 0.00 1.01 0.50 -4.94 120.40 121.07 1tg6 s VAL 31 Ca 0.03 -2.85 0.08 0.00 0.00 0.00 0.00 61.98 59.24 1tg6 s VAL 31 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1tg6 s VAL 31 CO 0.02 -0.80 -0.24 0.00 0.00 0.00 0.00 175.10 174.08 1tg6 s MET 32 N 0.16 1.73 0.42 2.72 0.23 -1.26 -1.27 119.30 122.03 1tg6 s MET 32 Ca 0.15 -0.97 0.00 0.00 -1.03 0.00 0.00 55.69 53.84 1tg6 s MET 32 Cb -0.22 -1.81 0.00 0.00 -1.53 0.00 0.00 34.83 31.27 1tg6 s MET 32 CO -0.03 0.48 0.00 0.41 -2.03 0.00 0.00 175.02 173.85 1tg6 n GLY 33 N 2.06 -2.20 3.67 3.16 0.00 -0.54 -4.89 105.19 106.45 1tg6 n GLY 33 Ca -0.16 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1tg6 n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tg6 n PRO 34 N -0.57 1.33 -3.57 1.61 -0.02 -1.26 -4.30 135.00 128.22 1tg6 n PRO 34 Ca 0.00 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 1tg6 n PRO 34 Cb 0.00 -2.32 -0.11 0.00 -0.02 0.00 0.00 33.50 31.05 1tg6 n PRO 34 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1tg6 s ILE 35 N -1.37 5.30 0.28 4.25 1.01 0.22 -4.90 121.20 125.99 1tg6 s ILE 35 Ca 0.71 0.07 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1tg6 s ILE 35 Cb -0.45 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1tg6 s ILE 35 CO 0.50 0.17 0.17 -0.90 0.00 0.00 0.00 174.94 174.88 1tg6 n ASP 36 N 5.08 0.20 -0.33 3.58 3.85 -1.26 0.12 116.55 127.79 1tg6 n ASP 36 Ca -0.13 -2.68 0.03 0.00 -0.71 0.00 0.00 54.79 51.30 1tg6 n ASP 36 Cb 0.51 1.07 0.18 0.00 -1.35 0.00 0.00 41.12 41.53 1tg6 n ASP 36 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1tg6 h ASP 37 N 1.43 0.85 -0.48 -1.12 3.45 -1.94 -0.81 116.42 117.81 1tg6 h ASP 37 Ca -0.21 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.16 1tg6 h ASP 37 Cb 0.93 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 1tg6 h ASP 37 CO 0.32 0.51 -0.19 0.77 -1.57 0.00 0.00 179.24 179.07 1tg6 h SER 38 N 0.96 1.00 -0.44 6.45 4.64 -1.99 -1.68 113.55 122.50 1tg6 h SER 38 Ca 0.42 -0.37 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1tg6 h SER 38 Cb 0.29 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1tg6 h SER 38 CO -0.21 1.16 -0.15 0.58 -0.87 0.00 0.00 176.83 177.34 1tg6 h VAL 39 N 0.86 1.27 -0.09 0.95 2.07 -1.78 -2.42 116.25 117.11 1tg6 h VAL 39 Ca 0.12 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1tg6 h VAL 39 Cb 0.76 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1tg6 h VAL 39 CO 0.06 0.44 0.04 0.00 0.02 0.00 0.00 177.57 178.14 1tg6 h ALA 40 N 1.01 0.11 -0.48 1.67 0.00 -1.00 -1.56 119.26 119.01 1tg6 h ALA 40 Ca 0.12 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1tg6 h ALA 40 Cb 0.69 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1tg6 h ALA 40 CO 0.05 -0.32 0.15 0.77 0.00 0.00 0.00 179.25 179.90 1tg6 h SER 41 N 0.02 0.12 0.27 0.00 0.02 -1.21 0.42 113.55 113.18 1tg6 h SER 41 Ca 0.03 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1tg6 h SER 41 Cb 0.12 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1tg6 h SER 41 CO -0.00 0.10 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.58 1tg6 h LEU 42 N 0.31 -0.31 -0.54 5.07 3.38 -1.34 -0.64 115.31 121.24 1tg6 h LEU 42 Ca 0.24 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1tg6 h LEU 42 Cb 0.27 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1tg6 h LEU 42 CO -0.26 -0.13 0.18 0.58 0.09 0.00 0.00 178.44 178.90 1tg6 h VAL 43 N -0.47 0.79 -0.38 1.22 2.07 -0.78 -1.61 116.25 117.09 1tg6 h VAL 43 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1tg6 h VAL 43 Cb 0.35 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1tg6 h VAL 43 CO 0.06 0.06 0.14 0.40 0.02 0.00 0.00 177.57 178.25 1tg6 h ILE 44 N 0.36 1.20 -0.98 4.57 2.04 -0.04 -1.40 117.51 123.26 1tg6 h ILE 44 Ca 0.27 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1tg6 h ILE 44 Cb 0.32 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1tg6 h ILE 44 CO -0.28 0.23 0.64 0.00 0.00 0.00 0.00 178.15 178.73 1tg6 h ALA 45 N 0.98 1.27 -0.47 1.87 0.00 -0.72 -0.88 119.26 121.32 1tg6 h ALA 45 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1tg6 h ALA 45 Cb 0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1tg6 h ALA 45 CO -0.01 0.56 -0.00 1.96 0.00 0.00 0.00 179.25 181.76 1tg6 h GLN 46 N 1.26 0.84 0.04 0.00 4.20 -1.04 -0.87 115.11 119.53 1tg6 h GLN 46 Ca 0.38 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1tg6 h GLN 46 Cb -0.05 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1tg6 h GLN 46 CO -0.11 0.88 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.83 1tg6 h LEU 47 N 0.69 -0.10 -1.00 1.46 3.38 -0.53 0.15 115.31 119.36 1tg6 h LEU 47 Ca 0.13 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1tg6 h LEU 47 Cb 0.51 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1tg6 h LEU 47 CO 0.02 -0.06 0.36 -0.07 0.09 0.00 0.00 178.44 178.79 1tg6 h LEU 48 N -0.08 0.97 -0.09 1.67 3.38 -1.13 -1.36 115.31 118.66 1tg6 h LEU 48 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1tg6 h LEU 48 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1tg6 h LEU 48 CO -0.01 0.82 0.05 0.15 0.09 0.00 0.00 178.44 179.54 1tg6 h PHE 49 N 1.07 0.12 -0.46 1.13 3.57 -0.81 -2.08 116.94 119.47 1tg6 h PHE 49 Ca 0.26 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1tg6 h PHE 49 Cb 0.11 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1tg6 h PHE 49 CO 0.01 0.14 0.26 -0.07 -2.23 0.00 0.00 178.31 176.42 1tg6 h LEU 50 N 0.06 0.55 0.07 0.59 3.38 -0.54 -1.97 115.31 117.45 1tg6 h LEU 50 Ca 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tg6 h LEU 50 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1tg6 h LEU 50 CO -0.01 0.44 -0.03 -0.61 0.09 0.00 0.00 178.44 178.33 1tg6 h GLN 51 N 0.63 -0.08 -0.63 1.13 4.15 -0.85 -1.65 115.11 117.80 1tg6 h GLN 51 Ca 0.16 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.69 1tg6 h GLN 51 Cb 0.01 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1tg6 h GLN 51 CO -0.03 0.11 0.42 0.66 -1.93 0.00 0.00 178.83 178.06 1tg6 h SER 52 N -0.27 0.41 -0.37 -0.69 4.64 -1.05 0.31 113.55 116.52 1tg6 h SER 52 Ca -0.01 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1tg6 h SER 52 Cb 0.24 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1tg6 h SER 52 CO 0.01 0.24 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.89 1tg6 h GLU 53 N 0.45 0.76 -1.04 4.77 4.39 -0.94 -3.44 114.58 119.53 1tg6 h GLU 53 Ca 0.29 -0.20 0.18 0.00 0.34 0.00 0.00 59.36 59.98 1tg6 h GLU 53 Cb 0.54 -0.09 -0.29 0.00 -0.10 0.00 0.00 28.75 28.80 1tg6 h GLU 53 CO -0.09 0.77 0.54 0.45 -1.16 0.00 0.00 179.01 179.52 1tg6 s SER 54 N -6.66 -0.26 0.00 1.42 0.15 0.10 -5.03 113.70 103.43 1tg6 s SER 54 Ca -0.09 0.39 0.19 0.00 0.70 0.00 0.00 55.95 57.14 1tg6 s SER 54 Cb 0.15 1.17 0.55 0.00 -1.71 0.00 0.00 66.02 66.17 1tg6 s SER 54 CO 0.80 -0.06 1.44 -0.46 1.20 0.00 0.00 173.24 176.16 1tg6 n ASN 55 N 3.75 2.43 -0.07 5.45 0.23 -0.94 -4.14 115.26 121.96 1tg6 n ASN 55 Ca -0.15 -1.89 -0.14 0.00 -0.53 0.00 0.00 54.58 51.87 1tg6 n ASN 55 Cb 0.56 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 37.98 1tg6 n ASN 55 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1tg6 n LYS 56 N 0.82 0.33 -1.75 -3.83 4.81 -1.26 -3.58 118.16 113.70 1tg6 n LYS 56 Ca 0.17 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 57.31 1tg6 n LYS 56 Cb 0.42 -1.13 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 1tg6 n LYS 56 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1tg6 s LYS 57 N -2.28 4.12 0.80 1.64 1.02 -1.26 -4.51 119.74 119.28 1tg6 s LYS 57 Ca -0.20 2.59 -0.13 0.00 0.02 0.00 0.00 55.97 58.25 1tg6 s LYS 57 Cb 0.07 -3.05 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1tg6 s LYS 57 CO 0.29 -0.69 1.19 -1.25 -0.92 0.00 0.00 175.35 173.97 1tg6 s PRO 58 N 0.26 1.72 -0.05 -1.68 0.04 -1.26 -4.54 135.00 129.49 1tg6 s PRO 58 Ca 0.69 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.47 1tg6 s PRO 58 Cb -0.49 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1tg6 s PRO 58 CO 0.41 -2.14 -0.24 0.42 0.04 0.00 0.00 177.00 175.49 1tg6 s ILE 59 N -2.23 2.19 -0.21 0.56 1.01 -0.18 -4.93 121.20 117.41 1tg6 s ILE 59 Ca 0.72 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1tg6 s ILE 59 Cb -0.27 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1tg6 s ILE 59 CO 0.50 0.57 0.03 -1.00 0.00 0.00 0.00 174.94 175.05 1tg6 s HIS 60 N -0.28 3.08 -0.31 3.97 3.76 -0.18 -0.26 115.29 125.08 1tg6 s HIS 60 Ca 0.00 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1tg6 s HIS 60 Cb -0.13 -2.13 0.04 0.00 1.11 0.00 0.00 32.58 31.47 1tg6 s HIS 60 CO 0.03 -0.21 0.04 1.41 -0.85 0.00 0.00 174.74 175.15 1tg6 s MET 61 N 1.09 2.54 -0.30 1.40 1.75 0.27 0.19 119.30 126.25 1tg6 s MET 61 Ca 0.03 -1.20 -0.22 0.00 -1.25 0.00 0.00 55.69 53.05 1tg6 s MET 61 Cb -0.14 -3.28 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 1tg6 s MET 61 CO 0.02 -0.62 0.71 0.71 -0.65 0.00 0.00 175.02 175.19 1tg6 s TYR 62 N 1.32 3.22 -0.20 4.11 2.02 -0.10 -1.09 117.35 126.63 1tg6 s TYR 62 Ca -0.03 0.72 -0.03 0.00 -0.37 0.00 0.00 57.07 57.36 1tg6 s TYR 62 Cb -0.19 -3.09 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 1tg6 s TYR 62 CO 0.00 -0.50 -0.07 0.42 -1.57 0.00 0.00 175.55 173.83 1tg6 s ILE 63 N 2.77 3.20 -0.37 2.71 1.01 0.44 -0.37 121.20 130.59 1tg6 s ILE 63 Ca 0.29 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1tg6 s ILE 63 Cb -0.15 -2.43 0.15 0.00 0.01 0.00 0.00 42.46 40.05 1tg6 s ILE 63 CO 0.12 0.45 0.32 0.21 0.00 0.00 0.00 174.94 176.04 1tg6 s ASN 64 N 1.24 1.76 -0.00 3.58 2.47 -0.40 -0.99 114.94 122.60 1tg6 s ASN 64 Ca 0.03 -1.93 -0.06 0.00 0.42 0.00 0.00 52.86 51.32 1tg6 s ASN 64 Cb -0.14 0.18 -0.00 0.00 -1.45 0.00 0.00 41.25 39.83 1tg6 s ASN 64 CO -0.03 -0.26 0.11 -0.55 -3.72 0.00 0.00 177.10 172.65 1tg6 s SER 65 N 1.17 0.03 0.00 -4.21 0.15 -0.66 -1.47 113.70 108.71 1tg6 s SER 65 Ca 0.19 -0.17 0.28 0.00 0.70 0.00 0.00 55.95 56.94 1tg6 s SER 65 Cb -0.16 0.20 0.99 0.00 -1.71 0.00 0.00 66.02 65.33 1tg6 s SER 65 CO -0.02 -0.30 1.71 -0.81 1.20 0.00 0.00 173.24 175.01 1tg6 n PRO 66 N 1.74 1.11 0.00 5.44 -0.04 -1.26 -1.13 135.00 140.86 1tg6 n PRO 66 Ca -0.21 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1tg6 n PRO 66 Cb 0.56 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1tg6 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tg6 n GLY 67 N 1.26 0.20 0.00 0.55 0.00 -1.00 -4.33 105.19 101.86 1tg6 n GLY 67 Ca 0.15 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1tg6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tg6 n GLY 68 N 0.00 -0.49 3.72 -0.02 0.00 -1.26 0.72 105.19 107.85 1tg6 n GLY 68 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1tg6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tg6 s VAL 69 N -3.52 3.16 0.11 1.61 1.01 0.31 -4.84 120.40 118.26 1tg6 s VAL 69 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 1tg6 s VAL 69 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1tg6 s VAL 69 CO 0.00 0.07 1.65 0.58 0.00 0.00 0.00 175.10 177.41 1tg6 h VAL 70 N 4.15 0.51 -0.13 2.92 2.07 -1.98 -0.79 116.25 123.01 1tg6 h VAL 70 Ca -0.43 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1tg6 h VAL 70 Cb 1.21 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1tg6 h VAL 70 CO 0.86 0.00 -0.09 0.71 0.02 0.00 0.00 177.57 179.08 1tg6 h THR 71 N -0.37 1.14 -0.36 2.57 1.35 -1.98 0.59 112.91 115.85 1tg6 h THR 71 Ca 0.04 -0.61 -0.14 0.00 -0.55 0.00 0.00 66.41 65.15 1tg6 h THR 71 Cb 0.42 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1tg6 h THR 71 CO -0.15 0.19 -0.33 0.00 -0.25 0.00 0.00 175.52 174.98 1tg6 h ALA 72 N 1.72 0.72 -0.43 6.62 0.00 -1.82 -1.83 119.26 124.25 1tg6 h ALA 72 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1tg6 h ALA 72 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1tg6 h ALA 72 CO 0.01 0.66 -0.30 0.78 0.00 0.00 0.00 179.25 180.40 1tg6 h GLY 73 N 0.91 1.05 2.00 0.00 0.00 -0.15 -2.67 103.07 104.20 1tg6 h GLY 73 Ca 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 1tg6 h GLY 73 CO 0.08 0.91 -0.07 1.41 0.00 0.00 0.00 176.54 178.87 1tg6 h LEU 74 N 0.80 0.00 -0.07 3.11 3.38 -0.80 -0.90 115.31 120.82 1tg6 h LEU 74 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1tg6 h LEU 74 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1tg6 h LEU 74 CO 0.08 0.07 -0.08 0.00 0.09 0.00 0.00 178.44 178.60 1tg6 h ALA 75 N 1.93 0.11 -0.16 1.53 0.00 -1.00 -0.83 119.26 120.84 1tg6 h ALA 75 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1tg6 h ALA 75 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1tg6 h ALA 75 CO 0.01 -0.07 0.07 0.82 0.00 0.00 0.00 179.25 180.09 1tg6 h ILE 76 N -0.26 1.14 -0.08 0.00 2.04 -1.25 -2.06 117.51 117.04 1tg6 h ILE 76 Ca 0.01 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1tg6 h ILE 76 Cb 0.61 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1tg6 h ILE 76 CO 0.02 0.13 -0.32 0.22 0.00 0.00 0.00 178.15 178.20 1tg6 h TYR 77 N 0.12 -0.89 -0.76 1.37 3.20 -1.15 0.17 116.97 119.03 1tg6 h TYR 77 Ca 0.06 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1tg6 h TYR 77 Cb 0.14 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1tg6 h TYR 77 CO -0.02 -0.40 0.45 -0.44 -1.64 0.00 0.00 178.16 176.10 1tg6 h ASP 78 N -0.43 0.68 -0.74 -2.11 3.32 -1.10 -0.96 116.42 115.08 1tg6 h ASP 78 Ca 0.08 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1tg6 h ASP 78 Cb 0.55 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1tg6 h ASP 78 CO -0.32 0.44 0.35 0.74 -1.72 0.00 0.00 179.24 178.73 1tg6 h THR 79 N 0.82 1.24 -0.84 0.35 2.02 -0.61 0.37 112.91 116.25 1tg6 h THR 79 Ca 0.34 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1tg6 h THR 79 Cb 0.19 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1tg6 h THR 79 CO -0.18 0.28 0.49 0.24 0.37 0.00 0.00 175.52 176.72 1tg6 h MET 80 N 1.04 1.16 0.00 6.66 2.86 0.24 -2.14 114.93 124.75 1tg6 h MET 80 Ca 0.25 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 1tg6 h MET 80 Cb 0.12 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1tg6 h MET 80 CO -0.03 0.83 -0.66 1.96 1.06 0.00 0.00 176.91 180.06 1tg6 h GLN 81 N 1.16 0.00 -0.08 1.72 1.08 -0.74 -3.34 115.11 114.91 1tg6 h GLN 81 Ca 0.30 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1tg6 h GLN 81 Cb -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1tg6 h GLN 81 CO -0.05 0.66 -0.40 -0.92 -0.95 0.00 0.00 178.83 177.17 1tg6 h TYR 82 N 0.00 0.56 -4.20 2.96 3.20 0.18 -3.45 116.97 116.22 1tg6 h TYR 82 Ca -0.01 -0.24 -0.51 0.00 3.14 0.00 0.00 58.73 61.11 1tg6 h TYR 82 Cb 1.36 -0.09 0.11 0.00 1.54 0.00 0.00 36.73 39.66 1tg6 h TYR 82 CO 0.00 1.00 0.37 0.96 -1.64 0.00 0.00 178.16 178.85 1tg6 s ILE 83 N -3.65 3.06 -0.34 1.81 -4.36 -0.84 -4.95 121.20 111.93 1tg6 s ILE 83 Ca -0.14 0.50 0.21 0.00 -0.26 0.00 0.00 60.65 60.96 1tg6 s ILE 83 Cb 0.04 -3.02 0.23 0.00 1.25 0.00 0.00 42.46 40.97 1tg6 s ILE 83 CO 0.80 -0.31 1.51 -0.07 0.24 0.00 0.00 174.94 177.11 1tg6 h LEU 84 N -0.06 0.00-10.08 0.37 3.38 -1.87 -3.48 115.31 103.57 1tg6 h LEU 84 Ca -0.47 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 1tg6 h LEU 84 Cb 1.26 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.16 1tg6 h LEU 84 CO 0.53 0.14 0.48 0.59 0.09 0.00 0.00 178.44 180.28 1tg6 n ASN 85 N -3.10 2.00 -4.74 -0.43 4.13 -1.23 -4.93 115.26 106.95 1tg6 n ASN 85 Ca 0.03 0.83 -0.41 0.00 1.68 0.00 0.00 54.58 56.72 1tg6 n ASN 85 Cb 0.59 -1.54 -0.05 0.00 -1.54 0.00 0.00 39.78 37.24 1tg6 n ASN 85 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1tg6 s PRO 86 N -3.29 4.70 -0.23 3.52 0.02 -1.26 -4.91 135.00 133.55 1tg6 s PRO 86 Ca 0.82 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 1tg6 s PRO 86 Cb -0.39 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 30.88 1tg6 s PRO 86 CO 0.41 0.26 -0.09 0.42 -0.33 0.00 0.00 177.00 177.68 1tg6 s ILE 87 N -0.69 2.74 -0.37 2.83 1.01 -1.26 -1.01 121.20 124.44 1tg6 s ILE 87 Ca 0.45 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1tg6 s ILE 87 Cb -0.28 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1tg6 s ILE 87 CO 0.35 0.26 0.47 0.00 0.00 0.00 0.00 174.94 176.02 1tg6 s THR 89 N 2.28 5.47 -0.11 0.00 -4.23 -0.76 -0.56 115.64 117.73 1tg6 s THR 89 Ca 0.16 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 1tg6 s THR 89 Cb -0.16 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.27 1tg6 s THR 89 CO 0.13 0.60 -0.11 0.26 -0.54 0.00 0.00 174.62 174.96 1tg6 s TRP 90 N -1.06 1.69 -0.26 3.99 0.52 -0.25 0.34 118.94 123.91 1tg6 s TRP 90 Ca 0.17 -0.81 -0.21 0.00 0.02 0.00 0.00 56.10 55.27 1tg6 s TRP 90 Cb -0.12 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1tg6 s TRP 90 CO 0.06 -0.48 0.66 0.00 0.02 0.00 0.00 176.95 177.21 1tg6 s VAL 92 N 2.58 1.31 0.00 0.00 1.01 -0.16 -1.88 120.40 123.27 1tg6 s VAL 92 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1tg6 s VAL 92 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1tg6 s VAL 92 CO 0.09 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1tg6 n GLY 93 N 4.43 2.38 3.38 4.51 0.00 -1.26 -3.93 105.19 114.69 1tg6 n GLY 93 Ca -0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1tg6 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tg6 s GLN 94 N 0.00 1.14 -0.36 1.61 -2.07 -1.26 -1.71 119.66 117.02 1tg6 s GLN 94 Ca 0.00 -0.50 0.01 0.00 -1.82 0.00 0.00 55.36 53.05 1tg6 s GLN 94 Cb 0.00 0.52 0.14 0.00 -1.09 0.00 0.00 33.01 32.58 1tg6 s GLN 94 CO 0.00 -0.46 0.23 0.00 -1.32 0.00 0.00 175.29 173.74 1tg6 s ALA 95 N -3.45 0.88 -0.03 2.60 0.00 -0.69 -1.66 121.76 119.41 1tg6 s ALA 95 Ca 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.10 1tg6 s ALA 95 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1tg6 s ALA 95 CO -0.10 -2.10 0.02 0.00 0.00 0.00 0.00 175.76 173.58 1tg6 s ALA 96 N 1.00 3.35 0.00 0.00 0.00 -0.29 -2.42 121.76 123.39 1tg6 s ALA 96 Ca 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1tg6 s ALA 96 Cb -0.20 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1tg6 s ALA 96 CO -0.01 0.63 0.00 0.45 0.00 0.00 0.00 175.76 176.83 1tg6 n SER 97 N 1.62 0.00 0.03 0.00 2.88 0.81 -1.32 113.62 117.65 1tg6 n SER 97 Ca -0.16 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.58 1tg6 n SER 97 Cb 0.53 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.71 1tg6 n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1tg6 h MET 98 N 0.00 0.00 -0.65 -1.46 2.86 -1.88 0.32 114.93 114.12 1tg6 h MET 98 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1tg6 h MET 98 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1tg6 h MET 98 CO 0.00 0.00 0.34 0.78 1.06 0.00 0.00 176.91 179.09 1tg6 h GLY 99 N 0.00 0.96 2.00 8.32 0.00 -1.49 -1.96 103.07 110.90 1tg6 h GLY 99 Ca 0.23 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 1tg6 h GLY 99 CO -0.00 0.41 -0.62 1.48 0.00 0.00 0.00 176.54 177.81 1tg6 h SER 100 N 0.90 0.00 -0.44 0.19 4.64 -0.42 -2.44 113.55 115.99 1tg6 h SER 100 Ca 0.23 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1tg6 h SER 100 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1tg6 h SER 100 CO -0.04 0.62 -0.09 0.25 -0.87 0.00 0.00 176.83 176.70 1tg6 h LEU 101 N 0.00 0.88 -0.70 5.97 6.46 -1.03 -1.77 115.31 125.13 1tg6 h LEU 101 Ca -0.01 -0.27 -0.11 0.00 -0.12 0.00 0.00 57.88 57.38 1tg6 h LEU 101 Cb 1.19 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1tg6 h LEU 101 CO 0.08 0.99 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.67 1tg6 h LEU 102 N 0.80 0.84 -0.13 2.25 3.38 -1.28 -1.75 115.31 119.43 1tg6 h LEU 102 Ca 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1tg6 h LEU 102 Cb 0.61 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1tg6 h LEU 102 CO 0.04 1.00 0.07 0.25 0.09 0.00 0.00 178.44 179.89 1tg6 h LEU 103 N 0.74 0.15 -1.47 1.67 5.85 -1.13 -2.42 115.31 118.71 1tg6 h LEU 103 Ca 0.11 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1tg6 h LEU 103 Cb 0.68 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1tg6 h LEU 103 CO 0.05 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1tg6 h ALA 104 N 1.00 1.00 -0.06 1.25 0.00 -1.17 -2.71 119.26 118.56 1tg6 h ALA 104 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tg6 h ALA 104 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1tg6 h ALA 104 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1tg6 n ALA 105 N -1.98 2.58 -0.87 0.00 0.00 -0.67 -4.84 120.51 114.73 1tg6 n ALA 105 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1tg6 n ALA 105 Cb 0.23 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 18.66 1tg6 n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tg6 s GLY 106 N -1.71 1.57 0.30 0.00 0.00 -1.03 -4.88 107.32 101.57 1tg6 s GLY 106 Ca 0.34 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 1tg6 s GLY 106 CO 0.28 0.49 1.51 -1.59 0.00 0.00 0.00 173.10 173.78 1tg6 s THR 107 N -2.72 2.29 0.21 0.90 2.01 0.36 -4.87 115.64 113.82 1tg6 s THR 107 Ca 0.66 0.25 -0.32 0.00 0.31 0.00 0.00 61.69 62.60 1tg6 s THR 107 Cb -0.21 -3.16 -0.14 0.00 0.01 0.00 0.00 72.50 68.99 1tg6 s THR 107 CO 0.60 0.04 1.27 -2.65 -0.69 0.00 0.00 174.62 173.20 1tg6 n PRO 108 N 1.86 1.59 -0.06 4.92 -0.02 -1.26 -0.36 135.00 141.67 1tg6 n PRO 108 Ca 0.06 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1tg6 n PRO 108 Cb 0.39 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1tg6 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tg6 n GLY 109 N 2.01 1.89 0.39 -1.23 0.00 -1.26 -4.86 105.19 102.13 1tg6 n GLY 109 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1tg6 n GLY 109 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tg6 n MET 110 N -2.00 1.78 -3.60 1.61 2.81 0.51 -4.90 117.12 113.33 1tg6 n MET 110 Ca 0.00 -2.74 -0.38 0.00 -1.81 0.00 0.00 57.70 52.77 1tg6 n MET 110 Cb 0.00 -1.62 -0.11 0.00 -0.71 0.00 0.00 33.22 30.78 1tg6 n MET 110 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1tg6 s ARG 111 N -2.91 3.88 0.43 0.03 0.52 -1.25 -1.82 118.95 117.83 1tg6 s ARG 111 Ca 0.36 -0.36 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 1tg6 s ARG 111 Cb 0.31 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.07 1tg6 s ARG 111 CO 0.04 -0.20 0.02 -1.01 0.02 0.00 0.00 175.30 174.16 1tg6 s HIS 112 N 1.74 2.39 -0.18 -0.53 3.76 0.15 -0.40 115.29 122.22 1tg6 s HIS 112 Ca 0.07 -0.72 -0.27 0.00 -0.15 0.00 0.00 55.06 53.98 1tg6 s HIS 112 Cb -0.16 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.84 1tg6 s HIS 112 CO 0.10 0.39 0.71 0.45 -0.85 0.00 0.00 174.74 175.54 1tg6 s SER 113 N -3.76 -0.71 0.66 1.40 0.15 -0.64 -1.10 113.70 109.70 1tg6 s SER 113 Ca 0.30 1.15 -0.11 0.00 0.70 0.00 0.00 55.95 57.99 1tg6 s SER 113 Cb 0.08 1.09 -0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1tg6 s SER 113 CO 0.15 -0.39 1.05 -0.76 1.20 0.00 0.00 173.24 174.49 1tg6 s LEU 114 N -0.25 3.11 0.28 3.45 1.43 -0.79 -1.17 118.68 124.74 1tg6 s LEU 114 Ca -0.04 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1tg6 s LEU 114 Cb -0.03 -4.33 0.63 0.00 0.03 0.00 0.00 46.19 42.49 1tg6 s LEU 114 CO 0.05 -1.14 1.74 -0.65 0.23 0.00 0.00 176.35 176.58 1tg6 h PRO 115 N -0.51 0.57 -0.42 1.29 0.11 -1.92 -3.14 132.00 127.98 1tg6 h PRO 115 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1tg6 h PRO 115 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1tg6 h PRO 115 CO 0.61 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.87 1tg6 n ASN 116 N -4.90 4.53 -4.84 -2.05 3.02 -1.26 -4.65 115.26 105.11 1tg6 n ASN 116 Ca 0.20 -2.83 -0.30 0.00 -0.03 0.00 0.00 54.58 51.62 1tg6 n ASN 116 Cb 0.53 -0.57 0.09 0.00 -0.61 0.00 0.00 39.78 39.21 1tg6 n ASN 116 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1tg6 s SER 117 N -1.35 4.60 0.01 6.41 0.01 -1.19 -4.86 113.70 117.33 1tg6 s SER 117 Ca 0.46 1.13 0.03 0.00 1.31 0.00 0.00 55.95 58.88 1tg6 s SER 117 Cb 0.35 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1tg6 s SER 117 CO 0.14 -1.88 -0.09 0.00 0.41 0.00 0.00 173.24 171.82 1tg6 s ARG 118 N -5.29 0.66 0.09 12.44 1.70 -0.69 -4.04 118.95 123.82 1tg6 s ARG 118 Ca 0.61 -0.40 0.06 0.00 -0.47 0.00 0.00 55.73 55.53 1tg6 s ARG 118 Cb -0.13 -0.62 -0.04 0.00 -0.57 0.00 0.00 34.95 33.59 1tg6 s ARG 118 CO 0.53 0.16 -0.05 0.42 -1.08 0.00 0.00 175.30 175.28 1tg6 s ILE 119 N -0.41 3.69 -0.14 4.99 1.09 -0.11 -1.70 121.20 128.61 1tg6 s ILE 119 Ca 0.01 -1.11 -0.11 0.00 -1.10 0.00 0.00 60.65 58.34 1tg6 s ILE 119 Cb -0.04 -2.73 0.04 0.00 -1.06 0.00 0.00 42.46 38.66 1tg6 s ILE 119 CO -0.00 0.13 0.36 -0.32 -0.10 0.00 0.00 174.94 175.01 1tg6 s MET 120 N -2.21 0.40 0.06 2.79 1.75 -1.02 0.03 119.30 121.11 1tg6 s MET 120 Ca 0.23 0.55 0.03 0.00 -1.25 0.00 0.00 55.69 55.25 1tg6 s MET 120 Cb -0.11 0.14 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 1tg6 s MET 120 CO 0.15 -0.08 -0.10 0.96 -0.65 0.00 0.00 175.02 175.31 1tg6 s ILE 121 N 0.46 0.79 -0.09 10.11 -4.36 -0.82 -0.13 121.20 127.16 1tg6 s ILE 121 Ca -0.02 -1.31 -0.32 0.00 -0.26 0.00 0.00 60.65 58.74 1tg6 s ILE 121 Cb -0.04 -0.95 0.12 0.00 1.25 0.00 0.00 42.46 42.84 1tg6 s ILE 121 CO -0.02 -0.40 1.13 -1.38 0.24 0.00 0.00 174.94 174.50 1tg6 s HIS 122 N -1.70 -0.17 0.90 1.37 -3.43 -1.26 -1.65 115.29 109.36 1tg6 s HIS 122 Ca -0.03 0.06 -0.11 0.00 -0.80 0.00 0.00 55.06 54.18 1tg6 s HIS 122 Cb -0.08 0.54 0.13 0.00 -1.43 0.00 0.00 32.58 31.74 1tg6 s HIS 122 CO 0.01 -0.35 1.09 1.14 -2.00 0.00 0.00 174.74 174.63 1tg6 s GLN 123 N -2.66 1.18 0.60 -0.38 -2.07 0.05 -4.99 119.66 111.39 1tg6 s GLN 123 Ca 0.09 0.99 -0.15 0.00 -1.82 0.00 0.00 55.36 54.48 1tg6 s GLN 123 Cb 0.00 -1.79 -0.04 0.00 -1.09 0.00 0.00 33.01 30.10 1tg6 s GLN 123 CO -0.05 -2.34 1.04 -1.25 -1.32 0.00 0.00 175.29 171.38 1tg6 s PRO 124 N -4.84 3.36 0.23 9.60 0.04 -1.26 -5.07 135.00 137.07 1tg6 s PRO 124 Ca 0.64 1.10 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1tg6 s PRO 124 Cb -0.19 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1tg6 s PRO 124 CO 0.58 -0.76 -0.18 -1.12 0.04 0.00 0.00 177.00 175.55 1tg6 s SER 125 N -3.07 3.07 0.00 6.66 0.01 -1.26 -5.03 113.70 114.07 1tg6 s SER 125 Ca 0.61 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1tg6 s SER 125 Cb -0.14 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1tg6 s SER 125 CO 0.40 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1tg6 n GLY 126 N -0.35 1.61 3.31 3.44 0.00 -1.26 -5.08 105.19 106.86 1tg6 n GLY 126 Ca -0.08 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1tg6 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tg6 n GLY 127 N 0.00 2.24 0.00 -0.02 0.00 -1.26 -5.17 105.19 100.98 1tg6 n GLY 127 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1tg6 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tg6 n ALA 128 N -0.73 0.00 -3.06 4.61 0.00 -1.26 -5.00 120.51 115.07 1tg6 n ALA 128 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1tg6 n ALA 128 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 1tg6 n ALA 128 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1tg6 s ARG 129 N -0.77 0.85 0.00 0.00 1.70 -1.26 -5.01 118.95 114.46 1tg6 s ARG 129 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 1tg6 s ARG 129 Cb 0.00 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1tg6 s ARG 129 CO 0.00 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 1tg6 n GLY 130 N 0.55 0.79 3.72 3.88 0.00 -1.26 -4.83 105.19 108.04 1tg6 n GLY 130 Ca -0.19 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 1tg6 n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tg6 s GLN 131 N -1.44 1.61 0.23 1.61 -0.21 -1.26 -4.75 119.66 115.45 1tg6 s GLN 131 Ca 0.00 1.36 -0.07 0.00 0.02 0.00 0.00 55.36 56.67 1tg6 s GLN 131 Cb 0.00 -1.81 0.27 0.00 1.00 0.00 0.00 33.01 32.47 1tg6 s GLN 131 CO 0.00 -2.15 1.84 0.00 -2.12 0.00 0.00 175.29 172.86 1tg6 h ALA 132 N -1.51 1.05 -0.86 6.09 0.00 -1.99 -0.68 119.26 121.37 1tg6 h ALA 132 Ca -0.43 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1tg6 h ALA 132 Cb 1.25 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1tg6 h ALA 132 CO 0.46 0.23 0.50 1.15 0.00 0.00 0.00 179.25 181.59 1tg6 h THR 133 N 0.89 0.90 -0.23 0.00 2.02 -2.00 0.40 112.91 114.90 1tg6 h THR 133 Ca 0.33 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 67.06 1tg6 h THR 133 Cb 0.12 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1tg6 h THR 133 CO -0.15 0.15 -0.55 0.44 0.37 0.00 0.00 175.52 175.78 1tg6 h ASP 134 N 0.82 0.78 -0.73 4.18 3.32 -1.66 -2.32 116.42 120.81 1tg6 h ASP 134 Ca 0.42 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1tg6 h ASP 134 Cb 0.41 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1tg6 h ASP 134 CO -0.26 1.17 0.20 0.40 -1.72 0.00 0.00 179.24 179.04 1tg6 h ILE 135 N 0.54 1.26 -0.31 0.35 2.04 -0.25 -0.45 117.51 120.69 1tg6 h ILE 135 Ca 0.01 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1tg6 h ILE 135 Cb 1.12 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1tg6 h ILE 135 CO 0.11 0.37 0.19 0.00 0.00 0.00 0.00 178.15 178.82 1tg6 h ALA 136 N 1.11 0.39 -0.85 1.87 0.00 -0.86 -0.23 119.26 120.69 1tg6 h ALA 136 Ca 0.23 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1tg6 h ALA 136 Cb 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1tg6 h ALA 136 CO -0.00 -0.12 0.54 0.82 0.00 0.00 0.00 179.25 180.49 1tg6 h ILE 137 N 0.41 1.11 -0.32 0.00 2.04 -0.96 0.07 117.51 119.86 1tg6 h ILE 137 Ca 0.11 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 1tg6 h ILE 137 Cb -0.01 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1tg6 h ILE 137 CO -0.02 0.19 -0.42 1.56 0.00 0.00 0.00 178.15 179.46 1tg6 h GLN 138 N 1.04 0.79 -0.07 2.37 1.08 -0.67 -2.00 115.11 117.65 1tg6 h GLN 138 Ca 0.35 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1tg6 h GLN 138 Cb 0.05 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1tg6 h GLN 138 CO -0.13 1.05 0.03 0.00 -0.95 0.00 0.00 178.83 178.84 1tg6 h ALA 139 N 0.88 0.10 -0.79 3.87 0.00 -0.50 -0.09 119.26 122.73 1tg6 h ALA 139 Ca 0.05 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1tg6 h ALA 139 Cb 0.98 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1tg6 h ALA 139 CO 0.09 -0.33 0.47 1.49 0.00 0.00 0.00 179.25 180.97 1tg6 h GLU 140 N -0.03 0.81 -0.40 0.00 4.81 -0.96 -0.37 114.58 118.43 1tg6 h GLU 140 Ca 0.02 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1tg6 h GLU 140 Cb 0.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1tg6 h GLU 140 CO -0.00 0.53 -0.04 1.49 -0.73 0.00 0.00 179.01 180.26 1tg6 h GLU 141 N 0.83 0.74 0.00 1.92 4.57 -0.98 -1.95 114.58 119.70 1tg6 h GLU 141 Ca 0.36 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1tg6 h GLU 141 Cb 0.24 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1tg6 h GLU 141 CO -0.20 0.85 -0.40 0.97 -1.18 0.00 0.00 179.01 179.05 1tg6 h ILE 142 N 0.56 1.23 -0.57 2.32 2.10 -0.55 -1.83 117.51 120.77 1tg6 h ILE 142 Ca 0.11 -1.39 -0.05 0.00 1.08 0.00 0.00 64.86 64.62 1tg6 h ILE 142 Cb 0.54 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 38.01 1tg6 h ILE 142 CO 0.03 0.39 0.18 -0.03 -1.08 0.00 0.00 178.15 177.64 1tg6 h MET 143 N 0.00 0.89 -0.55 2.19 4.05 -0.84 -1.17 114.93 119.50 1tg6 h MET 143 Ca -0.00 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 1tg6 h MET 143 Cb 0.73 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1tg6 h MET 143 CO 0.05 0.80 0.24 0.87 0.23 0.00 0.00 176.91 179.10 1tg6 h LYS 144 N 0.80 0.81 -0.69 0.39 1.57 -0.77 -1.97 116.57 116.72 1tg6 h LYS 144 Ca 0.18 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1tg6 h LYS 144 Cb 0.28 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1tg6 h LYS 144 CO -0.01 0.69 0.43 -0.07 -0.57 0.00 0.00 179.45 179.92 1tg6 h LEU 145 N 0.75 0.71 0.17 2.94 3.38 -0.99 0.97 115.31 123.24 1tg6 h LEU 145 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1tg6 h LEU 145 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1tg6 h LEU 145 CO -0.02 0.49 -0.17 0.50 0.09 0.00 0.00 178.44 179.33 1tg6 h LYS 146 N 0.84 -0.36 -0.71 1.13 3.64 -0.82 0.25 116.57 120.55 1tg6 h LYS 146 Ca 0.28 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1tg6 h LYS 146 Cb 0.02 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1tg6 h LYS 146 CO -0.11 -0.24 0.41 0.87 -2.27 0.00 0.00 179.45 178.11 1tg6 h LYS 147 N -0.38 0.97 -0.08 1.90 1.57 -1.02 -0.14 116.57 119.39 1tg6 h LYS 147 Ca 0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1tg6 h LYS 147 Cb 0.36 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1tg6 h LYS 147 CO -0.05 0.69 0.04 0.37 -0.57 0.00 0.00 179.45 179.93 1tg6 h GLN 148 N 0.98 0.11 -0.61 3.15 4.15 -0.30 -1.43 115.11 121.15 1tg6 h GLN 148 Ca 0.25 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 1tg6 h GLN 148 Cb -0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1tg6 h GLN 148 CO -0.04 0.16 0.17 -0.07 -1.93 0.00 0.00 178.83 177.11 1tg6 h LEU 149 N 0.03 0.91 -0.54 -2.39 3.38 -0.60 -2.58 115.31 113.53 1tg6 h LEU 149 Ca 0.03 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1tg6 h LEU 149 Cb 0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1tg6 h LEU 149 CO -0.00 0.90 0.27 1.88 0.09 0.00 0.00 178.44 181.57 1tg6 h TYR 150 N 0.89 0.49 -0.34 1.13 -1.99 -0.80 -0.10 116.97 116.25 1tg6 h TYR 150 Ca 0.19 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 1tg6 h TYR 150 Cb 0.33 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1tg6 h TYR 150 CO 0.02 0.23 0.01 -0.91 -0.00 0.00 0.00 178.16 177.51 1tg6 h ASN 151 N 0.52 0.49 -0.26 3.88 2.35 -1.11 0.98 115.58 122.44 1tg6 h ASN 151 Ca 0.24 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 1tg6 h ASN 151 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1tg6 h ASN 151 CO -0.17 0.56 -0.49 0.40 -1.65 0.00 0.00 177.43 176.07 1tg6 h ILE 152 N 0.51 1.29 -0.48 2.81 2.04 -0.95 -0.69 117.51 122.05 1tg6 h ILE 152 Ca 0.11 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.24 1tg6 h ILE 152 Cb 0.31 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1tg6 h ILE 152 CO 0.01 0.54 0.14 1.88 0.00 0.00 0.00 178.15 180.72 1tg6 h TYR 153 N 0.54 0.78 -0.62 1.37 -1.99 -0.69 -2.18 116.97 114.18 1tg6 h TYR 153 Ca 0.01 -0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.74 1tg6 h TYR 153 Cb 1.10 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 39.54 1tg6 h TYR 153 CO 0.08 0.69 0.29 0.00 -0.00 0.00 0.00 178.16 179.22 1tg6 h ALA 154 N 1.00 0.82 0.57 3.88 0.00 -0.67 0.78 119.26 125.64 1tg6 h ALA 154 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1tg6 h ALA 154 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1tg6 h ALA 154 CO -0.00 -0.09 -0.27 -0.22 0.00 0.00 0.00 179.25 178.66 1tg6 h LYS 155 N 0.53 -0.74 0.00 0.00 3.64 -0.82 0.84 116.57 120.02 1tg6 h LYS 155 Ca 0.30 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1tg6 h LYS 155 Cb 0.29 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1tg6 h LYS 155 CO -0.24 -0.46 -0.10 0.45 -2.27 0.00 0.00 179.45 176.82 1tg6 h HIS 156 N -0.83 0.00 0.00 1.91 3.86 -1.24 -3.15 115.15 115.70 1tg6 h HIS 156 Ca -0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1tg6 h HIS 156 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1tg6 h HIS 156 CO -0.02 0.10 -1.60 0.25 0.86 0.00 0.00 177.93 177.52 1tg6 n THR 157 N -3.17 0.45 -1.50 2.45 -2.24 0.25 -4.78 114.28 105.73 1tg6 n THR 157 Ca 0.02 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1tg6 n THR 157 Cb 0.45 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1tg6 n THR 157 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tg6 n LYS 158 N -2.51 -0.74 -3.43 -0.78 5.02 0.28 -4.51 118.16 111.48 1tg6 n LYS 158 Ca -0.05 0.78 -0.28 0.00 -2.02 0.00 0.00 58.31 56.74 1tg6 n LYS 158 Cb 0.63 -4.75 -0.03 0.00 -0.02 0.00 0.00 35.03 30.86 1tg6 n LYS 158 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1tg6 s GLN 159 N -3.25 3.60 0.76 1.97 -1.52 -1.15 -5.04 119.66 115.03 1tg6 s GLN 159 Ca 0.00 -0.10 -0.12 0.00 -1.95 0.00 0.00 55.36 53.19 1tg6 s GLN 159 Cb 0.00 -2.70 0.06 0.00 -0.22 0.00 0.00 33.01 30.15 1tg6 s GLN 159 CO 0.00 0.26 1.12 -1.54 -0.25 0.00 0.00 175.29 174.88 1tg6 s SER 160 N -3.20 4.33 0.33 5.90 1.04 -1.26 -4.61 113.70 116.22 1tg6 s SER 160 Ca 0.42 2.00 0.01 0.00 0.48 0.00 0.00 55.95 58.86 1tg6 s SER 160 Cb -0.11 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 64.03 1tg6 s SER 160 CO 0.30 -2.16 1.96 0.25 0.98 0.00 0.00 173.24 174.58 1tg6 h LEU 161 N -0.87 0.76 -0.52 2.42 6.46 -1.94 -1.85 115.31 119.77 1tg6 h LEU 161 Ca -0.45 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1tg6 h LEU 161 Cb 1.25 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 1tg6 h LEU 161 CO 0.50 0.60 0.32 -0.61 -0.62 0.00 0.00 178.44 178.63 1tg6 h GLN 162 N 0.88 0.70 -0.73 1.25 4.15 -1.99 0.09 115.11 119.46 1tg6 h GLN 162 Ca 0.23 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1tg6 h GLN 162 Cb -0.01 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1tg6 h GLN 162 CO -0.04 0.50 0.24 0.28 -1.93 0.00 0.00 178.83 177.87 1tg6 h VAL 163 N 0.70 1.26 -0.34 2.39 2.07 -1.75 -2.10 116.25 118.47 1tg6 h VAL 163 Ca 0.19 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1tg6 h VAL 163 Cb -0.03 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1tg6 h VAL 163 CO -0.04 0.35 -0.02 0.40 0.02 0.00 0.00 177.57 178.28 1tg6 h ILE 164 N 1.07 1.26 -0.88 4.57 1.08 -0.87 -1.13 117.51 122.62 1tg6 h ILE 164 Ca 0.24 -1.01 0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1tg6 h ILE 164 Cb 0.28 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1tg6 h ILE 164 CO -0.01 0.33 0.58 -0.33 -0.69 0.00 0.00 178.15 178.03 1tg6 h GLU 165 N 0.42 1.06 -0.08 2.37 5.08 -0.80 -1.15 114.58 121.49 1tg6 h GLU 165 Ca 0.10 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1tg6 h GLU 165 Cb 0.48 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1tg6 h GLU 165 CO 0.02 0.70 -0.44 1.03 -1.00 0.00 0.00 179.01 179.32 1tg6 h SER 166 N 1.09 0.52 0.57 1.42 0.87 -1.24 -3.10 113.55 113.68 1tg6 h SER 166 Ca 0.35 -0.66 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 1tg6 h SER 166 Cb 0.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1tg6 h SER 166 CO -0.11 1.10 -0.27 0.00 -0.53 0.00 0.00 176.83 177.02 1tg6 h ALA 167 N 0.44 1.20 -0.05 6.23 0.00 -0.91 -3.25 119.26 122.91 1tg6 h ALA 167 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1tg6 h ALA 167 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1tg6 h ALA 167 CO 0.09 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.35 1tg6 n MET 168 N -3.71 1.61 -0.16 0.00 2.81 -0.46 -4.43 117.12 112.79 1tg6 n MET 168 Ca -0.01 -1.63 0.12 0.00 -1.81 0.00 0.00 57.70 54.37 1tg6 n MET 168 Cb 0.38 -1.36 0.46 0.00 -0.71 0.00 0.00 33.22 31.99 1tg6 n MET 168 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1tg6 h GLU 169 N 3.62 0.50 -4.87 0.03 4.57 -1.58 0.19 114.58 117.04 1tg6 h GLU 169 Ca 0.00 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.83 1tg6 h GLU 169 Cb 0.77 -0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.11 1tg6 h GLU 169 CO 0.00 0.33 -0.65 1.03 -1.18 0.00 0.00 179.01 178.54 1tg6 s ARG 170 N -5.49 1.21 0.03 1.92 1.81 -1.26 -4.73 118.95 112.45 1tg6 s ARG 170 Ca -0.08 -1.61 -0.35 0.00 -1.72 0.00 0.00 55.73 51.97 1tg6 s ARG 170 Cb 0.20 -0.32 -0.14 0.00 -0.45 0.00 0.00 34.95 34.24 1tg6 s ARG 170 CO 0.77 -0.16 1.64 -0.25 -0.68 0.00 0.00 175.30 176.62 1tg6 n ASP 171 N -0.32 2.88 -3.94 0.23 8.00 -1.26 -4.68 116.55 117.46 1tg6 n ASP 171 Ca -0.05 1.06 -0.31 0.00 0.71 0.00 0.00 54.79 56.20 1tg6 n ASP 171 Cb 0.64 -1.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.25 1tg6 n ASP 171 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1tg6 s ARG 172 N 2.03 1.50 0.26 -1.24 6.06 -0.66 -5.01 118.95 121.90 1tg6 s ARG 172 Ca 0.86 -1.30 -0.08 0.00 -2.50 0.00 0.00 55.73 52.70 1tg6 s ARG 172 Cb -0.77 -2.70 -0.07 0.00 0.06 0.00 0.00 34.95 31.47 1tg6 s ARG 172 CO 0.46 -0.76 0.57 0.71 -2.50 0.00 0.00 175.30 173.79 1tg6 s TYR 173 N 1.26 3.44 -0.01 5.12 1.51 -1.26 -1.95 117.35 125.46 1tg6 s TYR 173 Ca 0.01 0.82 -0.08 0.00 -1.01 0.00 0.00 57.07 56.82 1tg6 s TYR 173 Cb -0.19 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1tg6 s TYR 173 CO -0.10 0.21 0.16 -1.64 -1.11 0.00 0.00 175.55 173.07 1tg6 s MET 174 N -3.12 0.44 0.73 -0.62 -1.94 0.10 -4.97 119.30 109.93 1tg6 s MET 174 Ca 0.47 -0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 54.12 1tg6 s MET 174 Cb -0.11 0.19 0.07 0.00 2.01 0.00 0.00 34.83 36.99 1tg6 s MET 174 CO 0.24 -0.10 1.06 -1.54 -0.01 0.00 0.00 175.02 174.67 1tg6 s SER 175 N -1.07 4.70 0.22 3.03 1.04 -1.26 -0.93 113.70 119.43 1tg6 s SER 175 Ca -0.12 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 1tg6 s SER 175 Cb -0.06 -1.11 0.25 0.00 0.10 0.00 0.00 66.02 65.20 1tg6 s SER 175 CO 0.01 -1.69 1.84 -0.65 0.98 0.00 0.00 173.24 173.74 1tg6 h PRO 176 N -0.72 0.86 -0.64 4.02 0.11 -1.83 -0.15 132.00 133.66 1tg6 h PRO 176 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1tg6 h PRO 176 Cb 1.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1tg6 h PRO 176 CO 0.61 0.57 0.12 0.52 -0.21 0.00 0.00 178.00 179.60 1tg6 h MET 177 N 0.88 1.05 -0.30 1.05 2.86 -1.93 -0.77 114.93 117.78 1tg6 h MET 177 Ca 0.32 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1tg6 h MET 177 Cb 0.10 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1tg6 h MET 177 CO -0.14 0.97 -0.11 0.93 1.06 0.00 0.00 176.91 179.61 1tg6 h GLU 178 N 0.97 0.51 -0.07 1.72 5.08 -1.80 -1.82 114.58 119.16 1tg6 h GLU 178 Ca 0.20 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1tg6 h GLU 178 Cb 0.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tg6 h GLU 178 CO 0.01 0.62 -0.59 0.00 -1.00 0.00 0.00 179.01 178.06 1tg6 h ALA 179 N 1.41 0.88 0.09 3.43 0.00 -0.69 -1.78 119.26 122.60 1tg6 h ALA 179 Ca 0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1tg6 h ALA 179 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tg6 h ALA 179 CO 0.03 0.72 -0.04 0.37 0.00 0.00 0.00 179.25 180.32 1tg6 h GLN 180 N 0.17 -0.11 -0.15 0.00 4.15 -0.54 0.18 115.11 118.80 1tg6 h GLN 180 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1tg6 h GLN 180 Cb 1.08 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1tg6 h GLN 180 CO 0.09 0.10 -0.01 0.93 -1.93 0.00 0.00 178.83 178.01 1tg6 h GLU 181 N -0.31 0.22 0.00 1.69 4.39 -1.26 -0.79 114.58 118.51 1tg6 h GLU 181 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1tg6 h GLU 181 Cb 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1tg6 h GLU 181 CO 0.02 0.25 0.00 0.35 -1.16 0.00 0.00 179.01 178.47 1tg6 h PHE 182 N 0.22 0.00 0.00 4.33 3.57 -1.13 -3.47 116.94 120.45 1tg6 h PHE 182 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1tg6 h PHE 182 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1tg6 h PHE 182 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1tg6 n GLY 183 N 0.60 0.99 0.15 2.40 0.00 -0.30 -4.76 105.19 104.27 1tg6 n GLY 183 Ca 0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1tg6 n GLY 183 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tg6 h ILE 184 N 0.00 1.39 -4.65 -0.61 2.04 -1.17 -3.35 117.51 111.16 1tg6 h ILE 184 Ca 0.00 -2.55 -0.30 0.00 1.00 0.00 0.00 64.86 63.01 1tg6 h ILE 184 Cb 0.00 2.56 -0.14 0.00 -0.74 0.00 0.00 36.82 38.50 1tg6 h ILE 184 CO 0.00 0.76 -0.58 -1.48 0.00 0.00 0.00 178.15 176.86 1tg6 s LEU 185 N -7.67 1.29 -0.12 1.44 -0.00 -1.20 -3.47 118.68 108.96 1tg6 s LEU 185 Ca -0.06 -1.48 0.09 0.00 -0.00 0.00 0.00 54.13 52.68 1tg6 s LEU 185 Cb 0.08 0.45 -0.14 0.00 -0.00 0.00 0.00 46.19 46.59 1tg6 s LEU 185 CO 0.88 -0.90 0.02 0.47 -0.00 0.00 0.00 176.35 176.83 1tg6 n ASP 186 N -0.60 2.25 -3.85 1.48 8.00 0.46 -4.29 116.55 120.00 1tg6 n ASP 186 Ca 0.03 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 1tg6 n ASP 186 Cb 0.65 0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 42.31 1tg6 n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tg6 s LYS 187 N -2.28 0.09 -0.33 -1.24 1.02 -0.58 -5.02 119.74 111.39 1tg6 s LYS 187 Ca -0.07 0.10 -0.07 0.00 0.02 0.00 0.00 55.97 55.96 1tg6 s LYS 187 Cb 0.04 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1tg6 s LYS 187 CO 0.45 -0.01 0.11 0.08 -0.92 0.00 0.00 175.35 175.06 1tg6 s VAL 188 N 0.04 3.84 -0.11 3.17 1.01 -1.26 -1.62 120.40 125.47 1tg6 s VAL 188 Ca -0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1tg6 s VAL 188 Cb -0.01 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1tg6 s VAL 188 CO 0.00 -0.15 0.00 -0.76 0.00 0.00 0.00 175.10 174.20 1tg6 s LEU 189 N 1.42 3.57 -0.25 3.92 1.43 -0.31 -4.94 118.68 123.51 1tg6 s LEU 189 Ca -0.01 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1tg6 s LEU 189 Cb -0.19 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.07 1tg6 s LEU 189 CO 0.03 0.33 -0.22 0.52 0.23 0.00 0.00 176.35 177.24 1tg6 n VAL 190 N 2.49 1.52 -4.38 -1.59 0.31 -1.26 -3.58 118.33 111.84 1tg6 n VAL 190 Ca -0.18 -0.24 -0.19 0.00 -0.01 0.00 0.00 64.34 63.72 1tg6 n VAL 190 Cb 0.53 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.38 1tg6 n VAL 190 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1tg6 s HIS 191 N -2.50 1.74 -2.00 3.52 3.76 -1.26 -4.96 115.29 113.58 1tg6 s HIS 191 Ca -0.35 -0.94 0.32 0.00 -0.15 0.00 0.00 55.06 53.94 1tg6 s HIS 191 Cb 0.11 -1.06 1.90 0.00 1.11 0.00 0.00 32.58 34.65 1tg6 s HIS 191 CO 0.50 -0.02 2.22 -0.35 -0.85 0.00 0.00 174.74 176.24