#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tg6 n LEU 2 N 0.00 -0.67 -4.69 2.45 4.77 -1.26 -4.86 117.00 112.74 1tg6 n LEU 2 Ca 0.00 1.48 -0.44 0.00 -0.03 0.00 0.00 56.01 57.02 1tg6 n LEU 2 Cb 0.00 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1tg6 n LEU 2 CO 0.00 -1.09 1.34 -0.38 -1.33 0.00 0.00 177.39 175.93 1tg6 n ILE 3 N -4.42 0.12 -0.92 -0.08 5.41 -1.26 -5.03 119.36 113.18 1tg6 n ILE 3 Ca 0.01 -0.02 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1tg6 n ILE 3 Cb 0.16 -1.85 0.24 0.00 -0.71 0.00 0.00 39.64 37.48 1tg6 n ILE 3 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1tg6 s PRO 4 N 1.63 -1.11 -0.22 0.38 0.02 -1.26 -4.87 135.00 129.57 1tg6 s PRO 4 Ca 0.79 0.20 -0.14 0.00 0.02 0.00 0.00 61.00 61.86 1tg6 s PRO 4 Cb -0.57 -1.59 0.06 0.00 0.02 0.00 0.00 34.50 32.43 1tg6 s PRO 4 CO 0.37 -3.69 0.54 -1.50 -0.33 0.00 0.00 177.00 172.38 1tg6 s ILE 5 N -2.82 -0.01 0.00 2.83 2.07 -1.26 -2.29 121.20 119.72 1tg6 s ILE 5 Ca 0.69 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 1tg6 s ILE 5 Cb -0.14 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1tg6 s ILE 5 CO 0.58 0.01 0.00 1.33 -1.91 0.00 0.00 174.94 174.95 1tg6 n VAL 6 N 3.83 0.00 -1.25 4.00 0.24 -1.26 -4.99 118.33 118.91 1tg6 n VAL 6 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1tg6 n VAL 6 Cb 0.57 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.64 0.00 0.00 3.34 0.31 -1.26 -5.00 118.33 115.08 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 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1tg6 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tg6 n TYR 17 N 0.00 0.00 -0.70 3.52 9.36 -1.26 -5.08 117.16 123.00 1tg6 n TYR 17 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1tg6 n TYR 17 Cb 0.09 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 1tg6 n TYR 17 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1tg6 n ASP 18 N 0.00 -3.32 -0.28 2.98 -0.08 -1.24 -4.88 116.55 109.73 1tg6 n ASP 18 Ca 0.00 0.26 0.04 0.00 -1.51 0.00 0.00 54.79 53.58 1tg6 n ASP 18 Cb 0.00 -1.44 0.18 0.00 2.34 0.00 0.00 41.12 42.21 1tg6 n ASP 18 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1tg6 h ILE 19 N 0.76 0.81 -0.25 5.18 -0.00 -1.79 0.87 117.51 123.09 1tg6 h ILE 19 Ca 0.00 -0.23 -0.16 0.00 -0.00 0.00 0.00 64.86 64.47 1tg6 h ILE 19 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 36.82 36.91 1tg6 h ILE 19 CO 0.00 0.12 -0.46 1.88 -0.00 0.00 0.00 178.15 179.69 1tg6 h TYR 20 N 0.67 0.95 -0.15 2.19 0.05 -1.98 -2.76 116.97 115.94 1tg6 h TYR 20 Ca 0.41 -0.34 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1tg6 h TYR 20 Cb 0.49 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1tg6 h TYR 20 CO -0.09 1.13 -0.08 0.77 -1.05 0.00 0.00 178.16 178.84 1tg6 h SER 21 N 0.50 0.21 -0.22 3.88 0.02 -1.78 -1.94 113.55 114.23 1tg6 h SER 21 Ca 0.01 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1tg6 h SER 21 Cb 1.06 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1tg6 h SER 21 CO 0.10 0.33 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.98 1tg6 h ARG 22 N 0.22 0.42 0.00 3.45 1.12 -0.74 -2.65 114.38 116.20 1tg6 h ARG 22 Ca 0.05 -0.16 -0.05 0.00 -1.11 0.00 0.00 59.98 58.70 1tg6 h ARG 22 Cb 0.29 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1tg6 h ARG 22 CO 0.01 0.66 -0.26 -0.07 -3.11 0.00 0.00 179.97 177.21 1tg6 h LEU 23 N 0.15 0.00 -0.88 3.80 4.07 -1.19 -1.99 115.31 119.27 1tg6 h LEU 23 Ca 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1tg6 h LEU 23 Cb 0.50 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1tg6 h LEU 23 CO 0.02 0.26 0.30 0.25 -1.08 0.00 0.00 178.44 178.19 1tg6 h LEU 24 N 0.00 1.03 -1.18 1.67 7.12 -1.08 0.15 115.31 123.02 1tg6 h LEU 24 Ca -0.00 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1tg6 h LEU 24 Cb 0.50 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1tg6 h LEU 24 CO 0.03 0.92 0.00 -1.14 -0.13 0.00 0.00 178.44 178.12 1tg6 n ARG 25 N -4.28 0.15 -0.62 1.25 0.63 -0.75 0.31 116.66 113.34 1tg6 n ARG 25 Ca 0.07 0.58 0.08 0.00 -0.92 0.00 0.00 57.85 57.66 1tg6 n ARG 25 Cb 0.18 -1.92 0.34 0.00 0.45 0.00 0.00 32.46 31.51 1tg6 n ARG 25 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1tg6 n GLU 26 N -2.22 3.82 -2.95 -0.14 -0.58 0.44 -4.93 120.64 114.09 1tg6 n GLU 26 Ca -0.00 -2.89 -0.21 0.00 -0.42 0.00 0.00 57.16 53.64 1tg6 n GLU 26 Cb 0.08 -1.93 0.03 0.00 -0.57 0.00 0.00 31.44 29.05 1tg6 n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1tg6 n ARG 27 N 0.62 -4.55 -4.08 3.49 1.74 0.15 -4.87 116.66 109.15 1tg6 n ARG 27 Ca 0.24 0.88 -0.35 0.00 -0.77 0.00 0.00 57.85 57.85 1tg6 n ARG 27 Cb 0.94 -5.65 -0.13 0.00 -1.02 0.00 0.00 32.46 26.60 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 -3.15 3.93 -0.13 0.55 1.01 -0.59 -1.22 121.20 121.60 1tg6 s ILE 28 Ca 0.28 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1tg6 s ILE 28 Cb -0.12 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1tg6 s ILE 28 CO 0.34 0.43 -0.16 -0.69 0.00 0.00 0.00 174.94 174.87 1tg6 s VAL 29 N 0.98 2.80 -0.23 2.92 1.01 0.14 -3.64 120.40 124.38 1tg6 s VAL 29 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1tg6 s VAL 29 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1tg6 s VAL 29 CO 0.02 0.53 0.10 0.00 0.00 0.00 0.00 175.10 175.74 1tg6 s VAL 31 N 1.19 3.53 -0.00 0.00 1.01 0.19 -4.95 120.40 121.37 1tg6 s VAL 31 Ca 0.05 -2.24 0.05 0.00 0.00 0.00 0.00 61.98 59.85 1tg6 s VAL 31 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1tg6 s VAL 31 CO 0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 175.10 174.23 1tg6 s MET 32 N 0.88 1.29 0.31 2.72 0.23 -1.26 -1.79 119.30 121.68 1tg6 s MET 32 Ca 0.10 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 54.13 1tg6 s MET 32 Cb -0.23 -1.27 0.00 0.00 -1.53 0.00 0.00 34.83 31.81 1tg6 s MET 32 CO -0.04 0.34 0.00 0.41 -2.03 0.00 0.00 175.02 173.71 1tg6 n GLY 33 N 2.52 -2.32 3.68 3.16 0.00 -0.72 -4.88 105.19 106.63 1tg6 n GLY 33 Ca -0.15 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.60 2.17 -3.17 1.61 -0.02 -1.26 -4.36 135.00 129.35 1tg6 n PRO 34 Ca 0.00 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 1tg6 n PRO 34 Cb 0.00 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 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 0.05 5.08 0.22 4.25 1.01 0.22 -4.90 121.20 127.13 1tg6 s ILE 35 Ca 0.68 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1tg6 s ILE 35 Cb -0.62 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 37.93 1tg6 s ILE 35 CO 0.48 0.20 0.27 -0.90 0.00 0.00 0.00 174.94 174.99 1tg6 n ASP 36 N 4.46 -0.75 -0.36 3.58 3.85 -1.26 0.67 116.55 126.74 1tg6 n ASP 36 Ca -0.03 -2.24 0.05 0.00 -0.71 0.00 0.00 54.79 51.85 1tg6 n ASP 36 Cb 0.51 1.45 0.21 0.00 -1.35 0.00 0.00 41.12 41.93 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 1.25 0.99 -0.37 -1.12 3.45 -1.94 0.54 116.42 119.23 1tg6 h ASP 37 Ca -0.16 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.21 1tg6 h ASP 37 Cb 0.75 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1tg6 h ASP 37 CO 0.23 0.59 -0.20 0.77 -1.57 0.00 0.00 179.24 179.06 1tg6 h SER 38 N 1.10 0.81 0.04 6.45 4.64 -1.99 -0.72 113.55 123.88 1tg6 h SER 38 Ca 0.46 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1tg6 h SER 38 Cb 0.30 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1tg6 h SER 38 CO -0.21 1.04 -0.02 0.58 -0.87 0.00 0.00 176.83 177.36 1tg6 h VAL 39 N 0.57 1.00 -0.62 0.95 2.07 -1.76 -1.77 116.25 116.68 1tg6 h VAL 39 Ca 0.08 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1tg6 h VAL 39 Cb 0.75 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1tg6 h VAL 39 CO 0.06 0.03 0.28 0.00 0.02 0.00 0.00 177.57 177.96 1tg6 h ALA 40 N 0.84 0.82 -0.56 1.67 0.00 -0.83 -0.72 119.26 120.48 1tg6 h ALA 40 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1tg6 h ALA 40 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1tg6 h ALA 40 CO 0.01 -0.10 0.34 0.77 0.00 0.00 0.00 179.25 180.26 1tg6 h SER 41 N 0.51 0.54 -0.21 0.00 0.02 -0.83 0.11 113.55 113.69 1tg6 h SER 41 Ca 0.30 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1tg6 h SER 41 Cb 0.31 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1tg6 h SER 41 CO -0.25 0.38 0.03 0.25 -1.14 0.00 0.00 176.83 176.09 1tg6 h LEU 42 N 0.66 0.35 -0.44 5.07 5.85 -0.62 -1.16 115.31 125.02 1tg6 h LEU 42 Ca 0.23 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1tg6 h LEU 42 Cb 0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1tg6 h LEU 42 CO -0.11 0.53 0.19 0.58 -0.34 0.00 0.00 178.44 179.30 1tg6 h VAL 43 N 0.15 1.19 -0.42 1.05 2.07 -0.91 -2.30 116.25 117.09 1tg6 h VAL 43 Ca 0.06 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1tg6 h VAL 43 Cb 0.34 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1tg6 h VAL 43 CO 0.01 0.22 0.21 0.40 0.02 0.00 0.00 177.57 178.42 1tg6 h ILE 44 N 0.57 1.17 -0.42 4.57 2.04 -0.73 -1.22 117.51 123.49 1tg6 h ILE 44 Ca 0.15 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1tg6 h ILE 44 Cb 0.16 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1tg6 h ILE 44 CO -0.02 0.19 0.26 0.00 0.00 0.00 0.00 178.15 178.58 1tg6 h ALA 45 N 1.05 1.67 -0.13 1.87 0.00 -1.09 -1.73 119.26 120.90 1tg6 h ALA 45 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1tg6 h ALA 45 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tg6 h ALA 45 CO -0.02 0.30 -0.52 1.96 0.00 0.00 0.00 179.25 180.97 1tg6 h GLN 46 N 0.58 0.59 -0.23 0.00 4.20 -0.96 -2.29 115.11 116.99 1tg6 h GLN 46 Ca 0.15 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1tg6 h GLN 46 Cb -0.04 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1tg6 h GLN 46 CO -0.03 1.08 0.14 -0.07 -0.67 0.00 0.00 178.83 179.28 1tg6 h LEU 47 N 0.23 0.28 -0.84 1.46 3.38 -0.84 0.19 115.31 119.16 1tg6 h LEU 47 Ca -0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1tg6 h LEU 47 Cb 1.15 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1tg6 h LEU 47 CO 0.11 0.24 0.56 -0.07 0.09 0.00 0.00 178.44 179.37 1tg6 h LEU 48 N 0.29 0.96 -0.68 1.67 3.38 -1.39 -0.06 115.31 119.48 1tg6 h LEU 48 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1tg6 h LEU 48 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1tg6 h LEU 48 CO -0.02 0.69 0.27 0.15 0.09 0.00 0.00 178.44 179.62 1tg6 h PHE 49 N 1.13 1.04 -0.52 1.13 3.57 -0.99 -1.50 116.94 120.80 1tg6 h PHE 49 Ca 0.31 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 1tg6 h PHE 49 Cb -0.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 1tg6 h PHE 49 CO -0.01 0.81 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.71 1tg6 h LEU 50 N 0.97 0.95 -0.88 0.59 3.38 -0.26 -2.17 115.31 117.89 1tg6 h LEU 50 Ca 0.23 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1tg6 h LEU 50 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1tg6 h LEU 50 CO -0.02 1.05 0.17 -0.61 0.09 0.00 0.00 178.44 179.12 1tg6 h GLN 51 N 0.86 1.00 -0.80 1.13 4.15 -0.81 -1.69 115.11 118.95 1tg6 h GLN 51 Ca 0.14 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1tg6 h GLN 51 Cb 0.63 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1tg6 h GLN 51 CO 0.04 0.88 0.51 1.03 -1.93 0.00 0.00 178.83 179.36 1tg6 h SER 52 N 0.96 0.84 -0.61 -0.69 0.87 -0.97 -1.74 113.55 112.21 1tg6 h SER 52 Ca 0.21 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1tg6 h SER 52 Cb 0.32 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1tg6 h SER 52 CO -0.00 0.58 0.03 -0.33 -0.53 0.00 0.00 176.83 176.57 1tg6 h GLU 53 N 0.99 1.07 -1.74 2.24 4.39 -0.95 -3.44 114.58 117.13 1tg6 h GLU 53 Ca 0.32 -0.33 0.09 0.00 0.34 0.00 0.00 59.36 59.78 1tg6 h GLU 53 Cb 0.02 -0.10 -0.22 0.00 -0.10 0.00 0.00 28.75 28.35 1tg6 h GLU 53 CO -0.12 1.03 0.05 0.45 -1.16 0.00 0.00 179.01 179.26 1tg6 s SER 54 N -6.53 -0.90 0.00 1.42 0.15 -0.68 -5.00 113.70 102.17 1tg6 s SER 54 Ca -0.12 1.30 0.16 0.00 0.70 0.00 0.00 55.95 57.99 1tg6 s SER 54 Cb 0.14 1.79 0.57 0.00 -1.71 0.00 0.00 66.02 66.80 1tg6 s SER 54 CO 0.85 -0.19 1.42 -0.46 1.20 0.00 0.00 173.24 176.06 1tg6 n ASN 55 N 4.81 1.55 -0.06 5.45 0.23 -0.85 -4.09 115.26 122.31 1tg6 n ASN 55 Ca -0.14 -1.82 -0.13 0.00 -0.53 0.00 0.00 54.58 51.96 1tg6 n ASN 55 Cb 0.54 -0.14 -0.04 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.29 0.25 -1.64 -3.83 4.81 -1.26 -3.47 118.16 113.31 1tg6 n LYS 56 Ca 0.13 0.11 -0.47 0.00 -0.87 0.00 0.00 58.31 57.22 1tg6 n LYS 56 Cb 0.28 -0.93 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 1tg6 n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1tg6 n LYS 57 N -3.54 1.81 -1.24 1.64 5.02 -1.26 -4.45 118.16 116.15 1tg6 n LYS 57 Ca -0.24 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.36 1tg6 n LYS 57 Cb 0.67 -2.31 0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1tg6 n LYS 57 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1tg6 n PRO 58 N 2.47 0.37 -5.19 1.97 -0.02 -1.26 -4.55 135.00 128.79 1tg6 n PRO 58 Ca 0.15 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 1tg6 n PRO 58 Cb 0.28 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 1tg6 n PRO 58 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1tg6 s ILE 59 N -1.96 1.93 -0.17 4.25 1.01 -0.36 -4.93 121.20 120.97 1tg6 s ILE 59 Ca 0.74 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1tg6 s ILE 59 Cb -0.31 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1tg6 s ILE 59 CO 0.49 0.54 0.03 -1.00 0.00 0.00 0.00 174.94 175.01 1tg6 s HIS 60 N -0.20 3.19 -0.29 3.97 3.76 -0.35 0.29 115.29 125.66 1tg6 s HIS 60 Ca -0.02 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1tg6 s HIS 60 Cb -0.13 -2.04 0.07 0.00 1.11 0.00 0.00 32.58 31.59 1tg6 s HIS 60 CO 0.03 0.11 -0.04 -1.64 -0.85 0.00 0.00 174.74 172.35 1tg6 s MET 61 N 0.33 2.17 -0.25 1.40 -1.94 0.11 0.28 119.30 121.40 1tg6 s MET 61 Ca 0.01 -1.43 -0.23 0.00 -1.71 0.00 0.00 55.69 52.33 1tg6 s MET 61 Cb -0.13 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.66 1tg6 s MET 61 CO 0.01 -0.66 0.75 0.71 -0.01 0.00 0.00 175.02 175.82 1tg6 s TYR 62 N 1.11 3.30 -0.18 -0.03 2.02 0.20 -0.35 117.35 123.42 1tg6 s TYR 62 Ca -0.04 1.01 -0.01 0.00 -0.37 0.00 0.00 57.07 57.66 1tg6 s TYR 62 Cb -0.20 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 1tg6 s TYR 62 CO -0.04 -0.38 -0.14 0.42 -1.57 0.00 0.00 175.55 173.84 1tg6 s ILE 63 N 2.72 2.64 -0.37 2.71 1.01 0.15 -0.63 121.20 129.43 1tg6 s ILE 63 Ca 0.32 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1tg6 s ILE 63 Cb -0.15 -2.14 0.15 0.00 0.01 0.00 0.00 42.46 40.32 1tg6 s ILE 63 CO 0.08 0.50 0.30 0.21 0.00 0.00 0.00 174.94 176.03 1tg6 s ASN 64 N 1.20 1.98 -0.05 3.58 2.47 -0.74 -0.90 114.94 122.48 1tg6 s ASN 64 Ca 0.02 -2.01 -0.08 0.00 0.42 0.00 0.00 52.86 51.21 1tg6 s ASN 64 Cb -0.14 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.73 1tg6 s ASN 64 CO -0.06 -0.27 0.21 -0.55 -3.72 0.00 0.00 177.10 172.71 1tg6 s SER 65 N 1.12 -0.16 0.00 -4.21 0.15 -0.36 -1.75 113.70 108.49 1tg6 s SER 65 Ca 0.19 0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.36 1tg6 s SER 65 Cb -0.17 0.37 1.28 0.00 -1.71 0.00 0.00 66.02 65.78 1tg6 s SER 65 CO -0.02 -0.20 1.87 -0.81 1.20 0.00 0.00 173.24 175.28 1tg6 n PRO 66 N 2.36 1.27 0.00 5.44 -0.04 -1.26 -1.20 135.00 141.57 1tg6 n PRO 66 Ca -0.16 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1tg6 n PRO 66 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.16 0.16 0.00 0.55 0.00 -1.07 -4.37 105.19 101.62 1tg6 n GLY 67 Ca 0.19 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.90 3.61 0.10 1.61 1.01 0.21 -4.86 120.40 118.18 1tg6 s VAL 69 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1tg6 s VAL 69 Cb 0.00 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 1tg6 s VAL 69 CO 0.00 0.10 1.63 0.58 0.00 0.00 0.00 175.10 177.41 1tg6 h VAL 70 N 4.33 0.40 -0.34 2.92 2.07 -1.98 -0.21 116.25 123.43 1tg6 h VAL 70 Ca -0.42 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1tg6 h VAL 70 Cb 1.21 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1tg6 h VAL 70 CO 0.84 0.00 0.23 0.71 0.02 0.00 0.00 177.57 179.36 1tg6 h THR 71 N -0.59 1.08 -0.35 2.57 1.35 -1.98 0.17 112.91 115.15 1tg6 h THR 71 Ca -0.01 -0.15 -0.13 0.00 -0.55 0.00 0.00 66.41 65.57 1tg6 h THR 71 Cb 0.55 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1tg6 h THR 71 CO -0.07 0.08 -0.30 0.00 -0.25 0.00 0.00 175.52 174.98 1tg6 h ALA 72 N 1.79 0.80 -0.43 6.62 0.00 -1.81 -0.99 119.26 125.25 1tg6 h ALA 72 Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1tg6 h ALA 72 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1tg6 h ALA 72 CO -0.03 0.65 -0.06 0.78 0.00 0.00 0.00 179.25 180.58 1tg6 h GLY 73 N 0.95 0.86 2.00 0.00 0.00 0.65 -2.80 103.07 104.73 1tg6 h GLY 73 Ca 0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1tg6 h GLY 73 CO 0.07 0.63 -0.22 1.41 0.00 0.00 0.00 176.54 178.43 1tg6 h LEU 74 N 0.63 0.00 -0.61 3.11 3.38 -0.53 -0.01 115.31 121.28 1tg6 h LEU 74 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1tg6 h LEU 74 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1tg6 h LEU 74 CO 0.03 0.22 -0.32 0.00 0.09 0.00 0.00 178.44 178.47 1tg6 h ALA 75 N 1.78 0.79 -0.07 1.53 0.00 -0.93 -0.49 119.26 121.87 1tg6 h ALA 75 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1tg6 h ALA 75 Cb 0.47 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1tg6 h ALA 75 CO 0.03 0.65 -0.37 0.82 0.00 0.00 0.00 179.25 180.38 1tg6 h ILE 76 N 0.63 1.42 0.05 0.00 2.04 -1.14 -2.73 117.51 117.77 1tg6 h ILE 76 Ca 0.07 -1.77 0.02 0.00 1.00 0.00 0.00 64.86 64.19 1tg6 h ILE 76 Cb 0.85 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 1tg6 h ILE 76 CO 0.07 0.51 -0.24 0.22 0.00 0.00 0.00 178.15 178.71 1tg6 h TYR 77 N -0.10 -0.65 -0.92 1.37 3.20 -0.96 -0.22 116.97 118.69 1tg6 h TYR 77 Ca -0.03 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1tg6 h TYR 77 Cb 1.02 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 1tg6 h TYR 77 CO 0.13 -0.34 0.60 -0.44 -1.64 0.00 0.00 178.16 176.47 1tg6 h ASP 78 N -0.40 0.92 -0.48 -2.11 3.32 -1.15 -0.76 116.42 115.76 1tg6 h ASP 78 Ca 0.05 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1tg6 h ASP 78 Cb 0.46 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1tg6 h ASP 78 CO -0.18 0.59 -0.10 0.74 -1.72 0.00 0.00 179.24 178.56 1tg6 h THR 79 N 1.04 1.26 -0.51 0.35 2.02 -1.12 0.13 112.91 116.09 1tg6 h THR 79 Ca 0.40 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 1tg6 h THR 79 Cb 0.21 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1tg6 h THR 79 CO -0.15 0.43 0.29 0.24 0.37 0.00 0.00 175.52 176.70 1tg6 h MET 80 N 0.86 0.70 0.00 6.66 2.86 0.17 -2.13 114.93 124.05 1tg6 h MET 80 Ca 0.14 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1tg6 h MET 80 Cb 0.64 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1tg6 h MET 80 CO 0.04 0.53 -0.32 1.96 1.06 0.00 0.00 176.91 180.18 1tg6 h GLN 81 N 0.68 0.00 0.18 1.72 1.08 -0.96 -3.33 115.11 114.48 1tg6 h GLN 81 Ca 0.18 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.06 1tg6 h GLN 81 Cb 0.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1tg6 h GLN 81 CO -0.03 0.32 -1.53 -0.92 -0.95 0.00 0.00 178.83 175.72 1tg6 h TYR 82 N 0.00 0.69 -4.17 2.96 3.20 -0.40 -3.46 116.97 115.79 1tg6 h TYR 82 Ca -0.00 -0.50 -0.50 0.00 3.14 0.00 0.00 58.73 60.86 1tg6 h TYR 82 Cb 1.01 -0.03 0.08 0.00 1.54 0.00 0.00 36.73 39.34 1tg6 h TYR 82 CO 0.00 1.50 0.39 0.96 -1.64 0.00 0.00 178.16 179.37 1tg6 s ILE 83 N -2.61 3.38 0.21 1.81 -4.36 -0.83 -4.96 121.20 113.84 1tg6 s ILE 83 Ca -0.10 0.69 0.09 0.00 -0.26 0.00 0.00 60.65 61.08 1tg6 s ILE 83 Cb 0.06 -3.22 -0.09 0.00 1.25 0.00 0.00 42.46 40.46 1tg6 s ILE 83 CO 0.89 -0.35 1.49 -0.07 0.24 0.00 0.00 174.94 177.14 1tg6 h LEU 84 N 0.42 0.00 -9.75 0.37 3.38 -1.89 -3.48 115.31 104.37 1tg6 h LEU 84 Ca -0.48 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 1tg6 h LEU 84 Cb 1.24 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.13 1tg6 h LEU 84 CO 0.56 0.76 0.24 0.59 0.09 0.00 0.00 178.44 180.67 1tg6 n ASN 85 N -3.63 1.45 -4.77 -0.43 4.13 -1.23 -4.95 115.26 105.83 1tg6 n ASN 85 Ca -0.01 0.99 -0.39 0.00 1.68 0.00 0.00 54.58 56.85 1tg6 n ASN 85 Cb 0.74 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.54 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 -2.28 4.28 -0.14 3.52 0.02 -1.26 -4.90 135.00 134.24 1tg6 s PRO 86 Ca 0.66 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.46 1tg6 s PRO 86 Cb -0.50 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1tg6 s PRO 86 CO 0.54 -0.10 -0.17 0.42 -0.33 0.00 0.00 177.00 177.36 1tg6 s ILE 87 N -1.39 1.76 -0.31 2.83 1.01 -1.26 -1.22 121.20 122.62 1tg6 s ILE 87 Ca 0.53 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1tg6 s ILE 87 Cb -0.29 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1tg6 s ILE 87 CO 0.37 0.49 0.22 0.00 0.00 0.00 0.00 174.94 176.03 1tg6 s THR 89 N 1.77 5.41 -0.14 0.00 -4.23 -0.93 0.08 115.64 117.61 1tg6 s THR 89 Ca 0.07 0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1tg6 s THR 89 Cb -0.17 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1tg6 s THR 89 CO 0.11 0.56 -0.10 0.26 -0.54 0.00 0.00 174.62 174.91 1tg6 s TRP 90 N -1.09 1.81 -0.30 3.99 0.52 0.53 -0.50 118.94 123.89 1tg6 s TRP 90 Ca 0.19 -1.01 -0.22 0.00 0.02 0.00 0.00 56.10 55.08 1tg6 s TRP 90 Cb -0.13 -1.39 -0.00 0.00 -1.15 0.00 0.00 33.47 30.79 1tg6 s TRP 90 CO 0.08 -0.60 0.72 0.00 0.02 0.00 0.00 176.95 177.18 1tg6 s VAL 92 N 2.80 1.30 0.00 0.00 1.01 -0.07 -2.24 120.40 123.19 1tg6 s VAL 92 Ca 0.29 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1tg6 s VAL 92 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1tg6 s VAL 92 CO 0.12 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1tg6 n GLY 93 N 4.59 2.27 3.48 4.51 0.00 -1.26 -4.01 105.19 114.77 1tg6 n GLY 93 Ca -0.16 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 1.02 -0.32 1.61 -2.07 -1.26 -1.57 119.66 117.07 1tg6 s GLN 94 Ca 0.00 -0.21 -0.02 0.00 -1.82 0.00 0.00 55.36 53.32 1tg6 s GLN 94 Cb 0.00 0.47 0.12 0.00 -1.09 0.00 0.00 33.01 32.51 1tg6 s GLN 94 CO 0.00 -0.41 0.17 0.00 -1.32 0.00 0.00 175.29 173.73 1tg6 s ALA 95 N -2.76 0.88 0.04 2.60 0.00 -0.84 -1.22 121.76 120.47 1tg6 s ALA 95 Ca -0.00 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.47 1tg6 s ALA 95 Cb -0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1tg6 s ALA 95 CO -0.06 -1.87 -0.06 0.00 0.00 0.00 0.00 175.76 173.78 1tg6 s ALA 96 N 1.54 3.07 0.00 0.00 0.00 -0.34 -2.26 121.76 123.77 1tg6 s ALA 96 Ca 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1tg6 s ALA 96 Cb -0.20 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1tg6 s ALA 96 CO -0.18 0.64 0.00 0.43 0.00 0.00 0.00 175.76 176.65 1tg6 n SER 97 N 1.16 0.00 0.03 0.00 7.64 0.53 -0.97 113.62 122.01 1tg6 n SER 97 Ca -0.14 0.00 0.22 0.00 1.01 0.00 0.00 58.87 59.96 1tg6 n SER 97 Cb 0.52 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.43 1tg6 n SER 97 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1tg6 h MET 98 N 0.00 0.00 -0.58 1.43 2.86 -1.88 0.53 114.93 117.29 1tg6 h MET 98 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1tg6 h MET 98 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1tg6 h MET 98 CO 0.00 0.00 0.09 0.78 1.06 0.00 0.00 176.91 178.84 1tg6 h GLY 99 N 0.00 1.02 2.00 8.32 0.00 -1.33 -1.95 103.07 111.13 1tg6 h GLY 99 Ca 0.25 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1tg6 h GLY 99 CO -0.00 0.60 -0.15 1.48 0.00 0.00 0.00 176.54 178.47 1tg6 h SER 100 N 0.89 0.00 -0.14 0.19 4.64 0.01 -1.93 113.55 117.21 1tg6 h SER 100 Ca 0.18 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1tg6 h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1tg6 h SER 100 CO 0.01 0.15 -0.41 0.25 -0.87 0.00 0.00 176.83 175.96 1tg6 h LEU 101 N 0.00 0.60 -0.68 5.97 6.46 -1.11 -1.28 115.31 125.26 1tg6 h LEU 101 Ca -0.00 -0.60 -0.07 0.00 -0.12 0.00 0.00 57.88 57.10 1tg6 h LEU 101 Cb 0.84 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1tg6 h LEU 101 CO 0.02 1.09 0.16 -0.07 -0.62 0.00 0.00 178.44 179.02 1tg6 h LEU 102 N 0.14 1.04 0.00 2.25 3.38 -1.26 -1.07 115.31 119.79 1tg6 h LEU 102 Ca -0.01 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1tg6 h LEU 102 Cb 1.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1tg6 h LEU 102 CO 0.09 1.00 -0.10 0.25 0.09 0.00 0.00 178.44 179.77 1tg6 h LEU 103 N 1.03 -0.29 -1.11 1.67 5.85 -1.27 -2.04 115.31 119.15 1tg6 h LEU 103 Ca 0.21 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1tg6 h LEU 103 Cb 0.37 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1tg6 h LEU 103 CO 0.00 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.96 1tg6 h ALA 104 N 0.79 1.00 -0.05 1.25 0.00 -1.02 -2.81 119.26 118.43 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tg6 h ALA 104 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1tg6 n ALA 105 N -1.86 2.60 -1.18 0.00 0.00 -0.42 -4.83 120.51 114.82 1tg6 n ALA 105 Ca 0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1tg6 n ALA 105 Cb 0.21 -1.26 0.16 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.79 1.59 0.23 0.00 0.00 -1.06 -4.87 107.32 101.42 1tg6 s GLY 106 Ca 0.37 -0.22 -0.32 0.00 0.00 0.00 0.00 44.72 44.55 1tg6 s GLY 106 CO 0.30 0.34 1.62 2.41 0.00 0.00 0.00 173.10 177.76 1tg6 n THR 107 N -4.05 0.47 -1.61 0.90 -1.04 -0.33 -4.87 114.28 103.75 1tg6 n THR 107 Ca 0.06 -0.12 -0.47 0.00 -2.04 0.00 0.00 64.05 61.48 1tg6 n THR 107 Cb 0.56 -1.84 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1tg6 n THR 107 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1tg6 n PRO 108 N 3.01 1.45 0.00 -2.82 -0.02 -1.26 -0.61 135.00 134.75 1tg6 n PRO 108 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1tg6 n PRO 108 Cb 0.34 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.06 2.20 0.72 -1.23 0.00 -1.26 -4.86 105.19 102.81 1tg6 n GLY 109 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 1.72 -3.63 1.61 2.81 0.22 -4.87 117.12 112.98 1tg6 n MET 110 Ca 0.00 -3.12 -0.40 0.00 -1.81 0.00 0.00 57.70 52.37 1tg6 n MET 110 Cb 0.00 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 30.72 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 -3.16 2.78 0.43 0.03 0.52 -1.25 -2.20 118.95 116.10 1tg6 s ARG 111 Ca 0.39 -1.10 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1tg6 s ARG 111 Cb 0.37 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 1tg6 s ARG 111 CO -0.02 -0.69 0.26 -1.01 0.02 0.00 0.00 175.30 173.85 1tg6 s HIS 112 N 1.52 2.52 -0.07 -0.53 3.76 0.35 -0.46 115.29 122.38 1tg6 s HIS 112 Ca 0.01 -0.59 -0.30 0.00 -0.15 0.00 0.00 55.06 54.03 1tg6 s HIS 112 Cb -0.19 -2.01 0.07 0.00 1.11 0.00 0.00 32.58 31.55 1tg6 s HIS 112 CO 0.06 0.03 0.66 0.45 -0.85 0.00 0.00 174.74 175.09 1tg6 s SER 113 N -4.01 -0.64 0.62 1.40 0.15 -0.65 -1.41 113.70 109.17 1tg6 s SER 113 Ca 0.42 0.74 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 1tg6 s SER 113 Cb 0.01 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1tg6 s SER 113 CO 0.24 -0.57 0.99 -0.76 1.20 0.00 0.00 173.24 174.33 1tg6 s LEU 114 N -1.07 3.17 0.63 3.45 1.43 -0.95 -1.39 118.68 123.94 1tg6 s LEU 114 Ca -0.10 1.07 0.39 0.00 -1.03 0.00 0.00 54.13 54.46 1tg6 s LEU 114 Cb -0.01 -3.97 2.11 0.00 0.03 0.00 0.00 46.19 44.36 1tg6 s LEU 114 CO 0.09 -1.05 2.29 1.55 0.23 0.00 0.00 176.35 179.46 1tg6 h PRO 115 N -0.33 0.00 -0.28 1.29 0.13 -1.91 -3.19 132.00 127.70 1tg6 h PRO 115 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1tg6 h PRO 115 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1tg6 h PRO 115 CO 0.62 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1tg6 n ASN 116 N -3.31 2.74 -4.67 1.44 3.02 -1.26 -4.68 115.26 108.53 1tg6 n ASN 116 Ca -0.03 -1.99 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 1tg6 n ASN 116 Cb 0.11 -0.19 0.17 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.99 2.70 0.01 6.41 0.01 -1.21 -4.85 113.70 115.78 1tg6 s SER 117 Ca 0.19 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.78 1tg6 s SER 117 Cb 0.10 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1tg6 s SER 117 CO 0.13 -3.10 -0.08 0.00 0.41 0.00 0.00 173.24 170.60 1tg6 s ARG 118 N -4.91 0.62 0.04 12.44 1.70 -0.61 -4.08 118.95 124.14 1tg6 s ARG 118 Ca 0.65 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 55.54 1tg6 s ARG 118 Cb -0.19 -0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 33.60 1tg6 s ARG 118 CO 0.58 0.14 -0.14 0.42 -1.08 0.00 0.00 175.30 175.22 1tg6 s ILE 119 N -0.52 3.10 -0.09 4.99 1.09 -0.03 -1.98 121.20 127.77 1tg6 s ILE 119 Ca -0.00 -1.07 -0.07 0.00 -1.10 0.00 0.00 60.65 58.41 1tg6 s ILE 119 Cb -0.05 -2.34 0.03 0.00 -1.06 0.00 0.00 42.46 39.04 1tg6 s ILE 119 CO 0.00 0.33 0.23 -0.32 -0.10 0.00 0.00 174.94 175.08 1tg6 s MET 120 N -1.50 0.25 0.05 2.79 1.75 -0.96 0.50 119.30 122.17 1tg6 s MET 120 Ca 0.16 0.37 0.04 0.00 -1.25 0.00 0.00 55.69 55.00 1tg6 s MET 120 Cb -0.11 0.06 -0.03 0.00 2.84 0.00 0.00 34.83 37.60 1tg6 s MET 120 CO 0.07 -0.07 -0.11 0.96 -0.65 0.00 0.00 175.02 175.22 1tg6 s ILE 121 N 0.42 0.81 -0.04 10.11 -4.36 -0.83 -0.34 121.20 126.97 1tg6 s ILE 121 Ca -0.03 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 58.93 1tg6 s ILE 121 Cb -0.04 -0.82 0.11 0.00 1.25 0.00 0.00 42.46 42.96 1tg6 s ILE 121 CO -0.02 -0.27 0.96 -1.38 0.24 0.00 0.00 174.94 174.48 1tg6 s HIS 122 N -1.24 -0.29 0.86 1.37 -3.43 -1.26 -1.50 115.29 109.79 1tg6 s HIS 122 Ca -0.05 0.17 -0.10 0.00 -0.80 0.00 0.00 55.06 54.28 1tg6 s HIS 122 Cb -0.10 0.53 0.11 0.00 -1.43 0.00 0.00 32.58 31.70 1tg6 s HIS 122 CO 0.01 -0.47 1.12 1.14 -2.00 0.00 0.00 174.74 174.54 1tg6 s GLN 123 N -2.96 1.47 0.83 -0.38 -2.07 0.50 -4.98 119.66 112.07 1tg6 s GLN 123 Ca 0.06 1.35 -0.11 0.00 -1.82 0.00 0.00 55.36 54.84 1tg6 s GLN 123 Cb -0.01 -1.79 0.09 0.00 -1.09 0.00 0.00 33.01 30.20 1tg6 s GLN 123 CO -0.08 -2.25 1.10 -1.25 -1.32 0.00 0.00 175.29 171.49 1tg6 s PRO 124 N -4.76 1.82 0.18 9.60 0.04 -1.26 -5.07 135.00 135.56 1tg6 s PRO 124 Ca 0.64 0.69 0.06 0.00 0.04 0.00 0.00 61.00 62.43 1tg6 s PRO 124 Cb -0.20 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1tg6 s PRO 124 CO 0.57 -1.82 -0.11 -1.12 0.04 0.00 0.00 177.00 174.57 1tg6 s SER 125 N -3.76 2.12 0.00 6.66 0.01 -1.26 -5.05 113.70 112.42 1tg6 s SER 125 Ca 0.62 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1tg6 s SER 125 Cb -0.15 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1tg6 s SER 125 CO 0.55 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1tg6 n GLY 126 N -0.30 1.05 3.04 3.44 0.00 -1.26 -5.07 105.19 106.09 1tg6 n GLY 126 Ca -0.09 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1tg6 n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tg6 s GLY 127 N -2.03 0.11 0.01 -0.02 0.00 -1.26 -5.16 107.32 98.98 1tg6 s GLY 127 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.46 1tg6 s GLY 127 CO 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 173.10 172.63 1tg6 s ALA 128 N -1.27 0.70 -0.24 3.20 0.00 -1.26 -5.06 121.76 117.83 1tg6 s ALA 128 Ca -0.14 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1tg6 s ALA 128 Cb -0.08 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.00 1tg6 s ALA 128 CO 0.00 0.12 0.62 0.50 0.00 0.00 0.00 175.76 177.00 1tg6 s ARG 129 N -0.69 0.67 0.00 0.00 3.52 -1.26 -5.05 118.95 116.14 1tg6 s ARG 129 Ca -0.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 1tg6 s ARG 129 Cb -0.05 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1tg6 s ARG 129 CO 0.00 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1tg6 n GLY 130 N 3.61 0.87 3.70 8.12 0.00 -1.26 -4.83 105.19 115.40 1tg6 n GLY 130 Ca -0.18 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.00 1.37 0.27 1.61 -0.21 -1.26 -4.72 119.66 114.72 1tg6 s GLN 131 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.59 1tg6 s GLN 131 Cb 0.00 -1.79 0.54 0.00 1.00 0.00 0.00 33.01 32.75 1tg6 s GLN 131 CO 0.00 -2.28 1.81 0.00 -2.12 0.00 0.00 175.29 172.71 1tg6 h ALA 132 N -1.59 1.42 -0.49 6.09 0.00 -1.99 -0.82 119.26 121.88 1tg6 h ALA 132 Ca -0.46 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1tg6 h ALA 132 Cb 1.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1tg6 h ALA 132 CO 0.48 0.13 0.29 1.15 0.00 0.00 0.00 179.25 181.30 1tg6 h THR 133 N 0.88 1.04 -0.62 0.00 2.02 -2.00 -0.52 112.91 113.71 1tg6 h THR 133 Ca 0.48 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.41 1tg6 h THR 133 Cb 0.53 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1tg6 h THR 133 CO -0.29 0.10 0.15 0.44 0.37 0.00 0.00 175.52 176.30 1tg6 h ASP 134 N 0.57 0.93 -0.80 4.18 3.45 -1.63 -2.08 116.42 121.04 1tg6 h ASP 134 Ca 0.20 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.40 1tg6 h ASP 134 Cb 0.03 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.52 1tg6 h ASP 134 CO -0.10 0.92 0.37 0.40 -1.57 0.00 0.00 179.24 179.26 1tg6 h ILE 135 N 0.90 1.25 -0.72 0.35 2.04 -0.76 0.02 117.51 120.59 1tg6 h ILE 135 Ca 0.19 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1tg6 h ILE 135 Cb 0.35 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1tg6 h ILE 135 CO 0.00 0.31 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1tg6 h ALA 136 N 1.19 1.15 -0.46 1.87 0.00 -0.83 -0.44 119.26 121.74 1tg6 h ALA 136 Ca 0.27 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1tg6 h ALA 136 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1tg6 h ALA 136 CO -0.03 0.61 -0.13 0.82 0.00 0.00 0.00 179.25 180.52 1tg6 h ILE 137 N 1.04 1.27 -0.18 0.00 2.04 -0.79 -1.82 117.51 119.07 1tg6 h ILE 137 Ca 0.24 -1.27 -0.13 0.00 1.00 0.00 0.00 64.86 64.70 1tg6 h ILE 137 Cb 0.20 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1tg6 h ILE 137 CO -0.02 0.43 -0.45 1.56 0.00 0.00 0.00 178.15 179.68 1tg6 h GLN 138 N 0.75 0.45 -0.23 2.37 1.08 -0.66 -2.33 115.11 116.55 1tg6 h GLN 138 Ca 0.11 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1tg6 h GLN 138 Cb 0.69 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1tg6 h GLN 138 CO 0.05 0.81 -0.00 0.00 -0.95 0.00 0.00 178.83 178.74 1tg6 h ALA 139 N 1.15 0.31 -0.70 3.87 0.00 -1.00 -0.84 119.26 122.05 1tg6 h ALA 139 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1tg6 h ALA 139 Cb 0.93 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1tg6 h ALA 139 CO 0.08 0.03 0.40 1.49 0.00 0.00 0.00 179.25 181.25 1tg6 h GLU 140 N 0.17 0.71 -0.50 0.00 4.81 -1.25 -0.54 114.58 117.99 1tg6 h GLU 140 Ca 0.06 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1tg6 h GLU 140 Cb 0.41 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1tg6 h GLU 140 CO 0.01 0.47 -0.01 1.49 -0.73 0.00 0.00 179.01 180.25 1tg6 h GLU 141 N 0.74 0.89 -0.27 1.92 4.57 -1.26 -2.07 114.58 119.10 1tg6 h GLU 141 Ca 0.31 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1tg6 h GLU 141 Cb 0.17 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1tg6 h GLU 141 CO -0.18 0.93 -0.15 0.97 -1.18 0.00 0.00 179.01 179.40 1tg6 h ILE 142 N 0.76 1.23 -0.07 2.32 -0.00 -0.59 -1.56 117.51 119.60 1tg6 h ILE 142 Ca 0.14 -1.04 -0.12 0.00 -0.00 0.00 0.00 64.86 63.85 1tg6 h ILE 142 Cb 0.53 1.19 -0.01 0.00 -0.00 0.00 0.00 36.82 38.52 1tg6 h ILE 142 CO 0.03 0.34 -0.48 0.24 -0.00 0.00 0.00 178.15 178.27 1tg6 h MET 143 N 0.43 0.16 -0.37 2.19 2.86 -0.91 -1.60 114.93 117.69 1tg6 h MET 143 Ca 0.08 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1tg6 h MET 143 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1tg6 h MET 143 CO 0.03 0.62 -0.31 0.87 1.06 0.00 0.00 176.91 179.18 1tg6 h LYS 144 N 0.13 0.80 -0.45 1.72 1.57 -0.72 -1.87 116.57 117.75 1tg6 h LYS 144 Ca 0.01 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1tg6 h LYS 144 Cb 0.91 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1tg6 h LYS 144 CO 0.07 1.00 0.15 -0.07 -0.57 0.00 0.00 179.45 180.03 1tg6 h LEU 145 N 0.68 0.65 -0.19 2.94 3.38 -0.95 -0.36 115.31 121.45 1tg6 h LEU 145 Ca 0.07 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1tg6 h LEU 145 Cb 0.85 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1tg6 h LEU 145 CO 0.07 0.67 -0.04 0.50 0.09 0.00 0.00 178.44 179.73 1tg6 h LYS 146 N 0.59 0.01 -0.74 1.13 3.64 -1.10 0.13 116.57 120.22 1tg6 h LYS 146 Ca 0.15 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1tg6 h LYS 146 Cb 0.25 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1tg6 h LYS 146 CO -0.01 0.00 0.25 0.87 -2.27 0.00 0.00 179.45 178.30 1tg6 h LYS 147 N 0.01 1.13 -0.25 1.90 1.57 -1.17 -0.22 116.57 119.54 1tg6 h LYS 147 Ca 0.09 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1tg6 h LYS 147 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1tg6 h LYS 147 CO -0.19 0.95 0.12 0.37 -0.57 0.00 0.00 179.45 180.12 1tg6 h GLN 148 N 1.09 0.35 -0.51 3.15 4.15 -0.54 -0.74 115.11 122.07 1tg6 h GLN 148 Ca 0.24 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.52 1tg6 h GLN 148 Cb 0.27 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1tg6 h GLN 148 CO -0.01 0.36 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.13 1tg6 h LEU 149 N 0.26 0.86 -0.89 -2.39 3.38 -0.85 -2.00 115.31 113.69 1tg6 h LEU 149 Ca 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1tg6 h LEU 149 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1tg6 h LEU 149 CO -0.01 0.95 0.31 1.88 0.09 0.00 0.00 178.44 181.66 1tg6 h TYR 150 N 0.81 1.14 -0.19 1.13 -1.99 -0.71 -0.82 116.97 116.33 1tg6 h TYR 150 Ca 0.14 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.67 1tg6 h TYR 150 Cb 0.54 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1tg6 h TYR 150 CO 0.03 0.86 -0.41 -0.91 -0.00 0.00 0.00 178.16 177.72 1tg6 h ASN 151 N 1.10 0.46 -0.18 3.88 2.35 -0.88 -1.22 115.58 121.09 1tg6 h ASN 151 Ca 0.26 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1tg6 h ASN 151 Cb 0.19 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1tg6 h ASN 151 CO -0.02 0.83 0.00 0.40 -1.65 0.00 0.00 177.43 176.99 1tg6 h ILE 152 N 0.36 1.25 -0.68 2.81 2.04 -0.87 -1.29 117.51 121.13 1tg6 h ILE 152 Ca 0.03 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1tg6 h ILE 152 Cb 0.88 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1tg6 h ILE 152 CO 0.07 0.26 0.31 1.88 0.00 0.00 0.00 178.15 180.67 1tg6 h TYR 153 N 0.08 0.99 -0.80 1.37 -1.99 -1.06 -2.38 116.97 113.18 1tg6 h TYR 153 Ca 0.05 -0.05 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1tg6 h TYR 153 Cb 0.38 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 1tg6 h TYR 153 CO 0.03 0.75 0.51 0.00 -0.00 0.00 0.00 178.16 179.45 1tg6 h ALA 154 N 1.14 1.04 0.25 3.88 0.00 -1.10 -0.38 119.26 124.10 1tg6 h ALA 154 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1tg6 h ALA 154 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1tg6 h ALA 154 CO -0.03 0.34 -0.12 -0.22 0.00 0.00 0.00 179.25 179.22 1tg6 h LYS 155 N 1.00 -0.32 0.00 0.00 3.64 -0.90 0.85 116.57 120.84 1tg6 h LYS 155 Ca 0.31 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1tg6 h LYS 155 Cb -0.01 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1tg6 h LYS 155 CO -0.11 -0.14 -0.38 0.45 -2.27 0.00 0.00 179.45 177.00 1tg6 h HIS 156 N -0.43 0.00 0.00 1.91 3.86 -1.30 -3.21 115.15 115.98 1tg6 h HIS 156 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1tg6 h HIS 156 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1tg6 h HIS 156 CO -0.03 0.38 -1.07 0.25 0.86 0.00 0.00 177.93 178.31 1tg6 n THR 157 N -3.31 0.11 -1.33 2.45 -2.24 -0.17 -4.77 114.28 105.02 1tg6 n THR 157 Ca 0.01 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1tg6 n THR 157 Cb 0.60 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.87 -1.23 -2.52 -0.78 5.02 0.28 -4.45 118.16 112.61 1tg6 n LYS 158 Ca 0.02 0.87 -0.27 0.00 -2.02 0.00 0.00 58.31 56.90 1tg6 n LYS 158 Cb 0.42 -5.04 0.01 0.00 -0.02 0.00 0.00 35.03 30.40 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 -2.83 3.42 0.54 1.97 -1.52 -1.17 -5.03 119.66 115.04 1tg6 s GLN 159 Ca 0.00 0.20 -0.16 0.00 -1.95 0.00 0.00 55.36 53.45 1tg6 s GLN 159 Cb 0.00 -2.33 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 1tg6 s GLN 159 CO 0.00 -0.34 1.01 -1.54 -0.25 0.00 0.00 175.29 174.17 1tg6 s SER 160 N -4.15 6.32 0.32 5.90 1.04 -1.26 -4.63 113.70 117.23 1tg6 s SER 160 Ca 0.49 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.63 1tg6 s SER 160 Cb -0.10 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 64.17 1tg6 s SER 160 CO 0.46 -0.80 1.87 -0.07 0.98 0.00 0.00 173.24 175.68 1tg6 h LEU 161 N 0.75 0.80 -0.52 2.42 3.38 -1.94 -0.27 115.31 119.93 1tg6 h LEU 161 Ca -0.47 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1tg6 h LEU 161 Cb 1.20 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1tg6 h LEU 161 CO 0.60 0.43 0.23 1.56 0.09 0.00 0.00 178.44 181.36 1tg6 h GLN 162 N 0.86 0.43 -0.38 1.13 7.50 -1.99 0.25 115.11 122.91 1tg6 h GLN 162 Ca 0.45 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.54 1tg6 h GLN 162 Cb 0.53 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 1tg6 h GLN 162 CO -0.21 0.29 0.09 0.28 -1.50 0.00 0.00 178.83 177.77 1tg6 h VAL 163 N 0.45 1.23 -0.13 -0.54 2.07 -1.48 -2.10 116.25 115.75 1tg6 h VAL 163 Ca 0.24 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1tg6 h VAL 163 Cb 0.20 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1tg6 h VAL 163 CO -0.20 0.27 0.09 0.40 0.02 0.00 0.00 177.57 178.15 1tg6 h ILE 164 N 0.47 1.04 -0.99 4.57 1.08 -0.47 -0.12 117.51 123.09 1tg6 h ILE 164 Ca 0.12 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1tg6 h ILE 164 Cb 0.32 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 1tg6 h ILE 164 CO 0.00 0.04 0.66 -0.33 -0.69 0.00 0.00 178.15 177.83 1tg6 h GLU 165 N 0.17 1.29 -0.05 2.37 5.08 -0.50 -0.30 114.58 122.63 1tg6 h GLU 165 Ca 0.05 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1tg6 h GLU 165 Cb -0.01 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1tg6 h GLU 165 CO -0.01 0.85 -0.71 1.03 -1.00 0.00 0.00 179.01 179.17 1tg6 h SER 166 N 1.32 0.32 1.51 1.42 0.87 -1.12 -2.96 113.55 114.92 1tg6 h SER 166 Ca 0.37 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1tg6 h SER 166 Cb -0.12 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1tg6 h SER 166 CO -0.09 0.92 -0.50 0.00 -0.53 0.00 0.00 176.83 176.64 1tg6 h ALA 167 N 1.07 0.74 -0.17 6.23 0.00 -0.47 -3.35 119.26 123.31 1tg6 h ALA 167 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1tg6 h ALA 167 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1tg6 h ALA 167 CO 0.11 0.45 0.00 -1.33 0.00 0.00 0.00 179.25 178.49 1tg6 n MET 168 N -3.12 1.87 0.24 0.00 2.81 -0.17 -4.41 117.12 114.34 1tg6 n MET 168 Ca 0.01 -1.81 0.07 0.00 -1.81 0.00 0.00 57.70 54.17 1tg6 n MET 168 Cb 0.68 -1.37 0.61 0.00 -0.71 0.00 0.00 33.22 32.43 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 3.52 0.03 -4.96 0.03 4.57 -1.66 0.14 114.58 116.26 1tg6 h GLU 169 Ca 0.00 -0.00 -0.43 0.00 -1.18 0.00 0.00 59.36 57.75 1tg6 h GLU 169 Cb 0.79 -0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.24 1tg6 h GLU 169 CO 0.00 0.04 -0.57 1.03 -1.18 0.00 0.00 179.01 178.33 1tg6 s ARG 170 N -5.03 1.61 0.17 1.92 1.81 -1.26 -4.74 118.95 113.42 1tg6 s ARG 170 Ca -0.05 -1.92 -0.32 0.00 -1.72 0.00 0.00 55.73 51.72 1tg6 s ARG 170 Cb 0.17 -0.33 -0.11 0.00 -0.45 0.00 0.00 34.95 34.23 1tg6 s ARG 170 CO 0.68 -0.38 1.68 -0.51 -0.68 0.00 0.00 175.30 176.09 1tg6 s ASP 171 N -3.41 6.48 -0.29 0.23 -0.00 -1.26 -4.62 116.67 113.80 1tg6 s ASP 171 Ca 0.34 2.73 0.02 0.00 -0.00 0.00 0.00 52.55 55.64 1tg6 s ASP 171 Cb 0.06 -2.59 0.08 0.00 -0.00 0.00 0.00 42.92 40.47 1tg6 s ASP 171 CO 0.16 -0.92 -0.02 -0.60 -0.00 0.00 0.00 175.17 173.79 1tg6 s ARG 172 N 1.55 1.66 0.21 8.23 6.06 -0.56 -5.00 118.95 131.09 1tg6 s ARG 172 Ca 0.74 -1.40 -0.13 0.00 -2.50 0.00 0.00 55.73 52.44 1tg6 s ARG 172 Cb -0.46 -2.82 -0.07 0.00 0.06 0.00 0.00 34.95 31.65 1tg6 s ARG 172 CO 0.32 -0.75 0.59 0.71 -2.50 0.00 0.00 175.30 173.68 1tg6 s TYR 173 N 1.17 3.51 -0.02 5.12 1.51 -1.26 -1.97 117.35 125.41 1tg6 s TYR 173 Ca 0.01 1.05 -0.04 0.00 -1.01 0.00 0.00 57.07 57.07 1tg6 s TYR 173 Cb -0.19 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.29 1tg6 s TYR 173 CO -0.08 0.32 0.10 -1.64 -1.11 0.00 0.00 175.55 173.13 1tg6 s MET 174 N -2.40 0.23 0.78 -0.62 -1.94 0.18 -4.97 119.30 110.55 1tg6 s MET 174 Ca 0.44 -0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 54.24 1tg6 s MET 174 Cb -0.13 0.10 0.06 0.00 2.01 0.00 0.00 34.83 36.86 1tg6 s MET 174 CO 0.20 -0.04 1.13 -1.54 -0.01 0.00 0.00 175.02 174.75 1tg6 s SER 175 N -0.44 4.77 0.28 3.03 1.04 -1.26 -0.85 113.70 120.26 1tg6 s SER 175 Ca -0.05 1.04 -0.00 0.00 0.48 0.00 0.00 55.95 57.42 1tg6 s SER 175 Cb -0.03 -1.71 0.48 0.00 0.10 0.00 0.00 66.02 64.86 1tg6 s SER 175 CO 0.00 -1.77 1.88 -0.65 0.98 0.00 0.00 173.24 173.69 1tg6 h PRO 176 N -0.95 1.06 -0.18 4.02 0.11 -1.84 0.10 132.00 134.32 1tg6 h PRO 176 Ca -0.46 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 1tg6 h PRO 176 Cb 1.29 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1tg6 h PRO 176 CO 0.63 0.70 -0.54 0.52 -0.21 0.00 0.00 178.00 179.10 1tg6 h MET 177 N 1.09 0.52 -0.21 1.05 2.86 -1.92 -0.70 114.93 117.62 1tg6 h MET 177 Ca 0.43 -0.32 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1tg6 h MET 177 Cb 0.24 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1tg6 h MET 177 CO -0.18 0.93 -0.33 0.93 1.06 0.00 0.00 176.91 179.32 1tg6 h GLU 178 N 0.40 0.44 -0.15 1.72 5.08 -1.76 -1.05 114.58 119.26 1tg6 h GLU 178 Ca 0.01 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1tg6 h GLU 178 Cb 1.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1tg6 h GLU 178 CO 0.10 0.72 -0.49 0.00 -1.00 0.00 0.00 179.01 178.34 1tg6 h ALA 179 N 1.27 0.89 -0.17 3.43 0.00 -0.77 -0.58 119.26 123.33 1tg6 h ALA 179 Ca 0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1tg6 h ALA 179 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1tg6 h ALA 179 CO 0.06 0.66 0.05 0.37 0.00 0.00 0.00 179.25 180.39 1tg6 h GLN 180 N 0.31 0.27 -0.78 0.00 4.15 -0.64 -0.85 115.11 117.57 1tg6 h GLN 180 Ca 0.02 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1tg6 h GLN 180 Cb 0.97 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 1tg6 h GLN 180 CO 0.08 0.41 0.47 0.93 -1.93 0.00 0.00 178.83 178.79 1tg6 h GLU 181 N 0.09 1.05 0.00 1.69 5.08 -1.01 -2.55 114.58 118.93 1tg6 h GLU 181 Ca 0.05 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1tg6 h GLU 181 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1tg6 h GLU 181 CO -0.00 0.73 -0.40 0.35 -1.00 0.00 0.00 179.01 178.69 1tg6 h PHE 182 N 1.07 0.00 0.00 4.33 3.57 -0.83 -3.47 116.94 121.61 1tg6 h PHE 182 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1tg6 h PHE 182 Cb -0.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1tg6 h PHE 182 CO 0.00 0.40 0.00 0.41 -2.23 0.00 0.00 178.31 176.89 1tg6 n GLY 183 N -0.25 1.01 0.12 2.40 0.00 -0.72 -4.72 105.19 103.02 1tg6 n GLY 183 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 1.48 -2.83 -0.61 2.04 -1.41 -3.34 117.51 112.85 1tg6 h ILE 184 Ca 0.00 -2.92 -0.46 0.00 1.00 0.00 0.00 64.86 62.48 1tg6 h ILE 184 Cb 0.00 2.82 -0.14 0.00 -0.74 0.00 0.00 36.82 38.76 1tg6 h ILE 184 CO 0.00 0.85 -0.69 -0.76 0.00 0.00 0.00 178.15 177.56 1tg6 s LEU 185 N -7.28 2.45 -0.10 1.44 1.43 -1.06 -3.79 118.68 111.77 1tg6 s LEU 185 Ca -0.04 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1tg6 s LEU 185 Cb 0.08 -0.58 -0.07 0.00 0.03 0.00 0.00 46.19 45.65 1tg6 s LEU 185 CO 0.88 -0.33 -0.08 0.47 0.23 0.00 0.00 176.35 177.52 1tg6 n ASP 186 N -0.50 3.23 -3.88 2.29 8.00 0.39 -4.32 116.55 121.75 1tg6 n ASP 186 Ca -0.06 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.27 1tg6 n ASP 186 Cb 0.63 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.19 0.05 -0.33 -1.24 1.02 -0.55 -5.01 119.74 111.47 1tg6 s LYS 187 Ca -0.12 -0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.78 1tg6 s LYS 187 Cb 0.03 -0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1tg6 s LYS 187 CO 0.23 0.00 0.07 0.08 -0.92 0.00 0.00 175.35 174.81 1tg6 s VAL 188 N -0.12 3.23 0.18 3.17 1.01 -1.26 -1.63 120.40 124.97 1tg6 s VAL 188 Ca -0.01 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.30 1tg6 s VAL 188 Cb -0.01 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 1tg6 s VAL 188 CO -0.00 -0.26 0.66 -0.76 0.00 0.00 0.00 175.10 174.74 1tg6 s LEU 189 N 1.26 4.37 -0.17 3.92 1.43 -0.49 -0.02 118.68 128.98 1tg6 s LEU 189 Ca -0.01 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1tg6 s LEU 189 Cb -0.20 -3.40 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 1tg6 s LEU 189 CO -0.01 0.09 -0.11 0.52 0.23 0.00 0.00 176.35 177.07 1tg6 n VAL 190 N 0.90 1.04 -3.54 -1.59 0.31 -0.11 -3.69 118.33 111.64 1tg6 n VAL 190 Ca -0.04 -0.46 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1tg6 n VAL 190 Cb 0.51 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.36 -0.36 0.91 3.52 3.76 -1.08 -5.00 115.29 114.67 1tg6 s HIS 191 Ca -0.20 0.13 -0.13 0.00 -0.15 0.00 0.00 55.06 54.71 1tg6 s HIS 191 Cb 0.06 0.39 0.18 0.00 1.11 0.00 0.00 32.58 34.32 1tg6 s HIS 191 CO 0.47 -0.76 1.25 -1.25 -0.85 0.00 0.00 174.74 173.60 1tg6 s PRO 192 N -3.64 0.88 -0.33 8.40 0.04 -1.26 -1.70 135.00 137.38 1tg6 s PRO 192 Ca 0.01 -0.55 -0.38 0.00 0.04 0.00 0.00 61.00 60.13 1tg6 s PRO 192 Cb 0.00 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 1tg6 s PRO 192 CO -0.11 -2.20 2.04 -2.30 0.04 0.00 0.00 177.00 174.47 1tg6 n PRO 193 N -3.56 1.05 -1.71 0.56 -0.02 -1.26 -4.27 135.00 125.79 1tg6 n PRO 193 Ca 0.15 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 1tg6 n PRO 193 Cb 0.60 -2.27 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1tg6 n PRO 193 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1tg6 s GLN 194 N 5.30 2.29 -0.23 -0.52 -0.21 -1.26 -4.86 119.66 120.17 1tg6 s GLN 194 Ca 1.06 0.49 -0.40 0.00 0.02 0.00 0.00 55.36 56.54 1tg6 s GLN 194 Cb -0.98 -1.95 -0.16 0.00 1.00 0.00 0.00 33.01 30.91 1tg6 s GLN 194 CO 0.56 -1.45 1.64 -3.47 -2.12 0.00 0.00 175.29 170.45 1tg6 n ASP 195 N -3.29 2.06 0.00 5.90 2.03 -1.26 -0.11 116.55 121.88 1tg6 n ASP 195 Ca 0.07 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1tg6 n ASP 195 Cb 0.57 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1tg6 n ASP 195 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tg6 n GLY 196 N 3.79 2.43 3.89 0.27 0.00 -1.26 -5.03 105.19 109.29 1tg6 n GLY 196 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1tg6 n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tg6 s GLU 197 N -0.21 3.54 -0.09 1.61 0.41 0.85 -5.02 118.70 119.79 1tg6 s GLU 197 Ca 0.00 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.46 1tg6 s GLU 197 Cb 0.00 -3.10 -0.25 0.00 -1.78 0.00 0.00 34.13 29.00 1tg6 s GLU 197 CO 0.00 0.68 0.50 -0.25 -0.49 0.00 0.00 175.26 175.69 1tg6 n ASP 198 N 1.23 1.54 -4.84 -0.19 8.00 -1.26 -4.41 116.55 116.62 1tg6 n ASP 198 Ca -0.13 0.30 -0.22 0.00 0.71 0.00 0.00 54.79 55.45 1tg6 n ASP 198 Cb 0.53 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1tg6 n ASP 198 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1tg6 s GLU 199 N -2.58 2.98 0.80 -1.24 0.41 -1.26 -4.84 118.70 112.98 1tg6 s GLU 199 Ca -0.14 -1.01 -0.12 0.00 -0.41 0.00 0.00 54.97 53.30 1tg6 s GLU 199 Cb 0.07 -2.61 0.07 0.00 -1.78 0.00 0.00 34.13 29.89 1tg6 s GLU 199 CO 0.79 0.41 1.10 -1.25 -0.49 0.00 0.00 175.26 175.83 1tg6 s PRO 200 N -3.79 2.06 -0.18 0.39 0.04 -1.26 -4.25 135.00 128.02 1tg6 s PRO 200 Ca 0.33 0.57 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 1tg6 s PRO 200 Cb -0.08 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1tg6 s PRO 200 CO 0.25 -1.62 0.46 0.99 0.04 0.00 0.00 177.00 177.13 1tg6 s THR 201 N -3.20 5.16 0.26 1.26 2.01 -0.69 -4.88 115.64 115.56 1tg6 s THR 201 Ca 0.61 0.87 0.08 0.00 0.31 0.00 0.00 61.69 63.56 1tg6 s THR 201 Cb -0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1tg6 s THR 201 CO 0.54 0.25 0.11 -0.76 -0.69 0.00 0.00 174.62 174.06 1tg6 s LEU 202 N 1.22 3.51 -0.05 4.42 1.43 -1.26 -0.94 118.68 127.00 1tg6 s LEU 202 Ca 0.23 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 1tg6 s LEU 202 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1tg6 s LEU 202 CO 0.09 -0.04 1.07 -0.69 0.23 0.00 0.00 176.35 177.02 1tg6 s VAL 203 N -2.24 4.58 0.00 -1.59 1.01 0.97 -4.79 120.40 118.35 1tg6 s VAL 203 Ca 0.33 1.86 -0.14 0.00 0.00 0.00 0.00 61.98 64.03 1tg6 s VAL 203 Cb -0.07 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1tg6 s VAL 203 CO 0.23 0.05 0.40 -1.10 0.00 0.00 0.00 175.10 174.67 1tg6 s GLN 204 N 1.76 3.89 0.00 2.72 -1.52 -1.26 -4.77 119.66 120.49 1tg6 s GLN 204 Ca 0.52 0.38 0.26 0.00 -1.95 0.00 0.00 55.36 54.57 1tg6 s GLN 204 Cb -0.22 -3.20 0.59 0.00 -0.22 0.00 0.00 33.01 29.96 1tg6 s GLN 204 CO 0.22 0.68 1.49 0.36 -0.25 0.00 0.00 175.29 177.79