#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tec s SER 9 N 0.00 3.38 -0.48 3.14 0.01 -1.26 -0.43 113.70 118.06 3tec s SER 9 Ca 0.00 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 56.45 3tec s SER 9 Cb 0.00 -0.25 0.26 0.00 0.21 0.00 0.00 66.02 66.24 3tec s SER 9 CO 0.00 0.10 0.62 0.49 0.41 0.00 0.00 173.24 174.86 3tec n PHE 10 N 0.20 1.16 0.22 2.43 3.01 -0.51 -4.96 117.46 119.00 3tec n PHE 10 Ca -0.12 -3.79 0.10 0.00 1.01 0.00 0.00 57.45 54.65 3tec n PHE 10 Cb 0.56 -0.43 0.66 0.00 -0.01 0.00 0.00 39.48 40.27 3tec n PHE 10 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3tec h PRO 11 N 3.99 0.00 0.00 -1.08 0.11 -1.94 -3.07 132.00 130.01 3tec h PRO 11 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3tec h PRO 11 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3tec h PRO 11 CO 0.60 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.44 3tec h GLU 12 N 0.00 0.00 -0.00 1.05 9.09 -1.99 -2.09 114.58 120.64 3tec h GLU 12 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3tec h GLU 12 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3tec h GLU 12 CO -0.00 0.00 -0.54 1.33 0.05 0.00 0.00 179.01 179.85 3tec n VAL 13 N -3.05 0.00 -1.70 -1.06 0.24 -1.16 -4.88 118.33 106.73 3tec n VAL 13 Ca -0.02 -0.05 -0.44 0.00 -2.04 0.00 0.00 64.34 61.80 3tec n VAL 13 Cb 0.14 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 3tec n VAL 13 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3tec n VAL 14 N -1.20 0.07 -0.12 3.34 0.31 -0.79 -1.99 118.33 117.95 3tec n VAL 14 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3tec n VAL 14 Cb 0.35 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 3tec n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3tec n GLY 15 N 3.64 1.83 3.77 2.92 0.00 0.90 -5.01 105.19 113.25 3tec n GLY 15 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3tec n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tec s LYS 16 N -0.32 4.63 0.85 1.61 1.02 -0.84 -4.82 119.74 121.88 3tec s LYS 16 Ca 0.00 1.30 -0.13 0.00 0.02 0.00 0.00 55.97 57.16 3tec s LYS 16 Cb 0.00 -3.04 0.06 0.00 -0.52 0.00 0.00 37.83 34.33 3tec s LYS 16 CO 0.00 0.42 0.85 -2.37 -0.92 0.00 0.00 175.35 173.32 3tec n THR 17 N 1.04 1.06 -0.21 2.17 5.66 -1.26 -1.13 114.28 121.61 3tec n THR 17 Ca -0.01 -0.20 0.02 0.00 -3.05 0.00 0.00 64.05 60.81 3tec n THR 17 Cb 0.49 -0.92 0.12 0.00 -1.55 0.00 0.00 70.33 68.47 3tec n THR 17 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3tec h VAL 18 N -1.17 0.63 -0.61 1.08 2.07 -1.59 0.03 116.25 116.69 3tec h VAL 18 Ca -0.45 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3tec h VAL 18 Cb 1.30 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3tec h VAL 18 CO 0.41 0.05 0.27 0.44 0.02 0.00 0.00 177.57 178.76 3tec h ASP 19 N 0.28 0.79 -0.08 0.57 5.19 -1.92 0.69 116.42 121.94 3tec h ASP 19 Ca 0.34 -0.09 -0.24 0.00 -0.62 0.00 0.00 57.03 56.41 3tec h ASP 19 Cb 0.51 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.83 3tec h ASP 19 CO -0.41 0.69 -0.89 1.56 -3.12 0.00 0.00 179.24 177.07 3tec h GLN 20 N 0.86 0.76 -0.44 3.56 4.20 -1.69 -2.43 115.11 119.93 3tec h GLN 20 Ca 0.21 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 3tec h GLN 20 Cb 0.13 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3tec h GLN 20 CO -0.02 1.28 0.15 0.00 -0.67 0.00 0.00 178.83 179.57 3tec h ALA 21 N 0.50 0.57 -0.47 3.87 0.00 -0.80 -1.09 119.26 121.84 3tec h ALA 21 Ca -0.08 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3tec h ALA 21 Cb 1.53 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3tec h ALA 21 CO 0.18 0.21 0.09 -0.09 0.00 0.00 0.00 179.25 179.64 3tec h ARG 22 N 0.57 0.22 -0.13 0.00 2.43 -0.78 -0.97 114.38 115.72 3tec h ARG 22 Ca 0.14 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3tec h ARG 22 Cb 0.24 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3tec h ARG 22 CO -0.01 0.14 0.04 0.93 -1.51 0.00 0.00 179.97 179.56 3tec h GLU 23 N 0.22 0.09 -0.47 0.20 5.08 -1.14 0.13 114.58 118.69 3tec h GLU 23 Ca 0.23 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3tec h GLU 23 Cb 0.31 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3tec h GLU 23 CO -0.31 0.06 0.14 -0.92 -1.00 0.00 0.00 179.01 176.98 3tec h TYR 24 N 0.10 0.24 0.06 4.33 3.20 -0.67 0.11 116.97 124.33 3tec h TYR 24 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3tec h TYR 24 Cb 0.04 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3tec h TYR 24 CO -0.11 0.06 -0.03 0.74 -1.64 0.00 0.00 178.16 177.18 3tec h PHE 25 N 0.30 -0.07 -0.85 -3.82 -1.00 -0.30 0.43 116.94 111.63 3tec h PHE 25 Ca 0.23 -0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.17 3tec h PHE 25 Cb 0.26 0.02 -0.10 0.00 3.61 0.00 0.00 35.95 39.74 3tec h PHE 25 CO -0.18 0.34 0.41 1.79 -1.61 0.00 0.00 178.31 179.06 3tec h THR 26 N -0.50 0.65 0.03 -1.55 1.35 -0.61 0.48 112.91 112.76 3tec h THR 26 Ca -0.01 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3tec h THR 26 Cb 0.44 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 3tec h THR 26 CO 0.01 0.10 -0.02 0.25 -0.25 0.00 0.00 175.52 175.62 3tec h LEU 27 N 0.54 -0.04 0.00 3.87 5.85 -0.64 -3.35 115.31 121.55 3tec h LEU 27 Ca 0.48 -0.67 -0.32 0.00 0.84 0.00 0.00 57.88 58.22 3tec h LEU 27 Cb 0.76 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3tec h LEU 27 CO -0.41 0.70 -1.93 1.41 -0.34 0.00 0.00 178.44 177.87 3tec n HIS 28 N -4.75 0.70 -3.18 1.25 8.25 0.15 -4.74 115.22 112.90 3tec n HIS 28 Ca -0.09 0.25 -0.23 0.00 -0.26 0.00 0.00 57.72 57.39 3tec n HIS 28 Cb 0.34 -1.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.27 3tec n HIS 28 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3tec n TYR 29 N -2.98 1.34 0.78 4.41 4.02 0.15 -4.92 117.16 119.96 3tec n TYR 29 Ca -0.23 -3.83 0.11 0.00 -0.01 0.00 0.00 57.90 53.94 3tec n TYR 29 Cb 1.08 -0.44 0.48 0.00 -0.02 0.00 0.00 39.34 40.45 3tec n TYR 29 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3tec n PRO 30 N 0.64 0.01 0.22 -0.72 -0.04 -1.21 -3.05 135.00 130.84 3tec n PRO 30 Ca 0.26 0.11 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 3tec n PRO 30 Cb 0.53 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.25 3tec n PRO 30 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3tec h GLN 31 N 0.00 0.00 -6.18 0.54 7.50 -1.91 -3.45 115.11 111.61 3tec h GLN 31 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 3tec h GLN 31 Cb 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.87 3tec h GLN 31 CO 0.00 0.00 -0.28 0.71 -1.50 0.00 0.00 178.83 177.76 3tec s TYR 32 N -4.85 3.49 -0.27 2.96 4.12 -1.17 -4.99 117.35 116.64 3tec s TYR 32 Ca -0.05 0.63 -0.22 0.00 0.02 0.00 0.00 57.07 57.45 3tec s TYR 32 Cb 0.16 -2.06 -0.01 0.00 -1.52 0.00 0.00 41.96 38.54 3tec s TYR 32 CO 0.62 0.44 0.70 -0.51 0.02 0.00 0.00 175.55 176.81 3tec s ASP 33 N -2.29 6.63 -0.15 2.29 1.01 -0.31 -4.98 116.67 118.87 3tec s ASP 33 Ca 0.40 0.71 -0.00 0.00 0.71 0.00 0.00 52.55 54.37 3tec s ASP 33 Cb -0.12 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 3tec s ASP 33 CO 0.23 -0.46 -0.14 0.54 0.21 0.00 0.00 175.17 175.54 3tec s VAL 34 N 2.67 2.79 0.09 -1.27 0.11 -1.26 -0.54 120.40 122.99 3tec s VAL 34 Ca 0.29 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.70 3tec s VAL 34 Cb -0.15 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.49 3tec s VAL 34 CO 0.10 0.51 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.83 3tec s TYR 35 N 0.75 2.03 -0.20 1.54 2.02 -0.05 -4.97 117.35 118.46 3tec s TYR 35 Ca -0.06 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 3tec s TYR 35 Cb -0.15 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3tec s TYR 35 CO 0.01 0.22 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.00 3tec s PHE 36 N -1.02 2.89 0.07 2.71 0.08 -1.26 0.56 117.98 122.02 3tec s PHE 36 Ca 0.10 -1.62 0.07 0.00 0.12 0.00 0.00 56.93 55.59 3tec s PHE 36 Cb -0.10 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3tec s PHE 36 CO 0.04 -0.77 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.70 3tec s LEU 37 N 1.30 2.25 0.22 -0.37 1.43 0.90 -4.96 118.68 119.45 3tec s LEU 37 Ca 0.03 -0.60 -0.32 0.00 -1.03 0.00 0.00 54.13 52.21 3tec s LEU 37 Cb -0.14 -0.74 -0.12 0.00 0.03 0.00 0.00 46.19 45.22 3tec s LEU 37 CO -0.10 0.03 1.68 -2.84 0.23 0.00 0.00 176.35 175.35 3tec s PRO 38 N -1.61 4.14 0.41 1.29 0.02 -1.26 -1.46 135.00 136.52 3tec s PRO 38 Ca 0.03 2.57 -0.24 0.00 0.02 0.00 0.00 61.00 63.38 3tec s PRO 38 Cb -0.09 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.24 3tec s PRO 38 CO 0.03 -0.71 0.93 -0.85 -0.33 0.00 0.00 177.00 176.06 3tec n GLU 39 N 3.67 1.20 -0.99 5.54 0.28 -0.10 -2.53 120.64 127.71 3tec n GLU 39 Ca 0.14 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 3tec n GLU 39 Cb 0.36 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.30 3tec n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3tec n GLY 40 N 1.30 0.96 3.75 -1.84 0.00 -1.26 -4.98 105.19 103.11 3tec n GLY 40 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3tec n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3tec s SER 41 N -2.93 5.27 0.23 1.61 0.01 -1.05 -4.97 113.70 111.86 3tec s SER 41 Ca 0.00 2.62 -0.30 0.00 1.31 0.00 0.00 55.95 59.59 3tec s SER 41 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 3tec s SER 41 CO 0.00 -1.56 1.14 -2.16 0.41 0.00 0.00 173.24 171.07 3tec s PRO 42 N -3.02 4.57 0.16 12.44 0.04 -1.26 -5.03 135.00 142.90 3tec s PRO 42 Ca 0.73 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.63 3tec s PRO 42 Cb -0.37 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 3tec s PRO 42 CO 0.42 0.07 -0.06 0.14 0.04 0.00 0.00 177.00 177.62 3tec s VAL 43 N -0.63 1.00 0.38 -0.36 -7.23 -1.26 -5.14 120.40 107.17 3tec s VAL 43 Ca 0.48 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 3tec s VAL 43 Cb -0.32 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 3tec s VAL 43 CO 0.39 -0.63 1.26 0.42 -0.31 0.00 0.00 175.10 176.24 3tec s THR 44 N -3.44 2.79 -0.61 5.32 -4.23 -1.26 -4.95 115.64 109.26 3tec s THR 44 Ca 0.20 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3tec s THR 44 Cb 0.04 -3.43 0.42 0.00 1.34 0.00 0.00 72.50 70.88 3tec s THR 44 CO 0.02 0.11 1.75 0.18 -0.54 0.00 0.00 174.62 176.14 3tec n LEU 45 N 0.29 6.73 -4.97 4.79 4.77 -1.26 -4.94 117.00 122.41 3tec n LEU 45 Ca 0.03 -4.64 -0.24 0.00 -0.03 0.00 0.00 56.01 51.13 3tec n LEU 45 Cb 0.44 -0.81 0.09 0.00 -2.33 0.00 0.00 43.42 40.81 3tec n LEU 45 CO 0.55 1.77 0.54 1.51 -1.33 0.00 0.00 177.39 180.43 3tec s ASP 46 N -2.21 4.62 -0.21 -1.43 3.84 -1.26 -5.09 116.67 114.92 3tec s ASP 46 Ca 0.57 -0.02 0.02 0.00 -0.00 0.00 0.00 52.55 53.11 3tec s ASP 46 Cb 0.46 -0.53 0.04 0.00 -1.38 0.00 0.00 42.92 41.50 3tec s ASP 46 CO -0.13 -1.67 -0.16 -0.76 -0.00 0.00 0.00 175.17 172.45 3tec s LEU 47 N -5.12 2.66 -0.26 2.11 1.43 -1.26 -5.05 118.68 113.19 3tec s LEU 47 Ca 0.63 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3tec s LEU 47 Cb -0.08 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.72 3tec s LEU 47 CO 0.43 -0.08 -0.05 -0.13 0.23 0.00 0.00 176.35 176.75 3tec s ARG 48 N 1.22 1.77 0.27 1.70 0.52 -1.26 -5.01 118.95 118.16 3tec s ARG 48 Ca -0.01 -1.21 0.20 0.00 -0.52 0.00 0.00 55.73 54.18 3tec s ARG 48 Cb -0.16 -2.73 1.00 0.00 0.52 0.00 0.00 34.95 33.58 3tec s ARG 48 CO -0.10 -0.64 1.60 0.66 0.02 0.00 0.00 175.30 176.84 3tec n TYR 49 N 4.55 0.65 -0.44 -0.53 4.02 -1.26 -2.66 117.16 121.49 3tec n TYR 49 Ca -0.10 0.32 0.11 0.00 -0.01 0.00 0.00 57.90 58.21 3tec n TYR 49 Cb 0.43 -1.01 0.34 0.00 -0.02 0.00 0.00 39.34 39.08 3tec n TYR 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3tec n ASN 50 N -2.15 4.28 -4.24 7.72 6.94 -1.26 -4.73 115.26 121.80 3tec n ASN 50 Ca -0.00 -2.19 -0.26 0.00 -0.02 0.00 0.00 54.58 52.10 3tec n ASN 50 Cb 0.07 -0.53 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 3tec n ASN 50 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3tec s ARG 51 N -1.38 1.50 -0.18 -3.83 3.52 -1.09 -1.16 118.95 116.33 3tec s ARG 51 Ca 0.50 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3tec s ARG 51 Cb 0.29 -1.56 0.06 0.00 -1.56 0.00 0.00 34.95 32.17 3tec s ARG 51 CO 0.29 0.41 0.03 0.08 -0.81 0.00 0.00 175.30 175.30 3tec s VAL 52 N -0.70 0.52 -0.30 7.11 1.01 0.29 0.40 120.40 128.74 3tec s VAL 52 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3tec s VAL 52 Cb -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3tec s VAL 52 CO 0.01 -0.16 0.32 -0.13 0.00 0.00 0.00 175.10 175.14 3tec s ARG 53 N 1.86 3.82 -0.34 2.72 0.52 -1.26 -0.87 118.95 125.40 3tec s ARG 53 Ca -0.00 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 54.85 3tec s ARG 53 Cb -0.17 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 3tec s ARG 53 CO -0.08 -0.35 0.24 0.08 0.02 0.00 0.00 175.30 175.21 3tec s VAL 54 N 1.97 5.29 -0.19 3.52 1.01 0.19 -4.44 120.40 127.76 3tec s VAL 54 Ca 0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3tec s VAL 54 Cb -0.16 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3tec s VAL 54 CO 0.11 0.01 0.11 -0.36 0.00 0.00 0.00 175.10 174.96 3tec s PHE 55 N 1.73 3.37 0.16 5.22 0.08 -1.26 -0.07 117.98 127.21 3tec s PHE 55 Ca 0.06 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.43 3tec s PHE 55 Cb -0.17 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3tec s PHE 55 CO 0.11 0.29 -0.11 1.52 -0.10 0.00 0.00 175.22 176.92 3tec s TYR 56 N 0.22 1.35 -0.32 0.36 -0.85 -0.54 -4.11 117.35 113.45 3tec s TYR 56 Ca 0.07 -0.71 -0.29 0.00 -0.52 0.00 0.00 57.07 55.62 3tec s TYR 56 Cb -0.11 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.57 3tec s TYR 56 CO -0.01 0.13 1.09 1.21 -1.52 0.00 0.00 175.55 176.45 3tec s ASN 57 N -3.16 6.91 0.50 -0.18 3.84 -0.17 -0.92 114.94 121.76 3tec s ASN 57 Ca 0.17 1.04 0.16 0.00 0.21 0.00 0.00 52.86 54.44 3tec s ASN 57 Cb 0.02 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.39 3tec s ASN 57 CO 0.02 -0.90 2.11 -0.65 -2.79 0.00 0.00 177.10 174.88 3tec h PRO 58 N 8.18 0.00 0.00 0.43 0.11 -1.94 0.10 132.00 138.89 3tec h PRO 58 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3tec h PRO 58 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3tec h PRO 58 CO 1.04 0.05 0.00 0.78 -0.21 0.00 0.00 178.00 179.66 3tec h GLY 59 N 0.16 0.00 0.00 -0.55 0.00 -1.97 -3.34 103.07 97.37 3tec h GLY 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3tec h GLY 59 CO 0.01 0.00 -0.37 -1.30 0.00 0.00 0.00 176.54 174.87 3tec n THR 60 N -2.90 0.00 -2.22 4.70 -2.24 -0.75 -5.01 114.28 105.87 3tec n THR 60 Ca 0.01 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3tec n THR 60 Cb 0.31 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 3tec n THR 60 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3tec n ASN 61 N -0.99 -4.73 -4.51 3.42 3.02 0.28 -4.98 115.26 106.78 3tec n ASN 61 Ca 0.00 0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 3tec n ASN 61 Cb 0.00 -4.04 -0.12 0.00 -0.61 0.00 0.00 39.78 35.02 3tec n ASN 61 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3tec s VAL 62 N -2.72 3.06 -0.52 2.41 -7.23 -1.24 -1.40 120.40 112.76 3tec s VAL 62 Ca 0.00 -1.16 -0.28 0.00 -1.81 0.00 0.00 61.98 58.73 3tec s VAL 62 Cb 0.00 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.61 3tec s VAL 62 CO 0.00 0.28 1.44 0.68 -0.31 0.00 0.00 175.10 177.18 3tec s VAL 63 N -1.02 3.80 -1.80 1.32 -7.23 -0.28 -1.00 120.40 114.19 3tec s VAL 63 Ca 0.17 0.72 0.16 0.00 -1.81 0.00 0.00 61.98 61.22 3tec s VAL 63 Cb -0.11 -4.34 0.08 0.00 0.56 0.00 0.00 36.38 32.57 3tec s VAL 63 CO 0.08 -1.03 0.94 -0.46 -0.31 0.00 0.00 175.10 174.32 3tec n ASN 64 N 9.50 2.08 -4.21 4.85 6.94 -1.26 -0.07 115.26 133.09 3tec n ASN 64 Ca 0.14 -1.54 -0.30 0.00 -0.02 0.00 0.00 54.58 52.86 3tec n ASN 64 Cb 0.49 0.16 -0.17 0.00 -2.36 0.00 0.00 39.78 37.90 3tec n ASN 64 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 3tec s HIS 65 N -1.49 2.28 0.05 -2.53 3.76 -1.26 -4.99 115.29 111.11 3tec s HIS 65 Ca 0.17 -0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 54.00 3tec s HIS 65 Cb 0.13 -1.52 -0.09 0.00 1.11 0.00 0.00 32.58 32.22 3tec s HIS 65 CO 0.26 -0.28 1.85 0.08 -0.85 0.00 0.00 174.74 175.80 3tec s VAL 66 N 0.10 2.98 0.44 -0.90 1.01 -1.26 -4.78 120.40 117.99 3tec s VAL 66 Ca -0.09 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 3tec s VAL 66 Cb -0.15 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3tec s VAL 66 CO 0.05 -0.01 0.90 -2.16 0.00 0.00 0.00 175.10 173.88 3tec s PRO 67 N 3.76 4.00 0.07 2.72 0.04 -1.26 -4.87 135.00 139.46 3tec s PRO 67 Ca 0.83 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 3tec s PRO 67 Cb -0.42 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 3tec s PRO 67 CO 0.37 -0.10 0.02 -3.38 0.04 0.00 0.00 177.00 173.95 3tec s HIS 68 N -2.37 0.52 0.42 0.56 -3.43 -1.26 -1.43 115.29 108.29 3tec s HIS 68 Ca 0.58 -1.02 -0.26 0.00 -0.80 0.00 0.00 55.06 53.55 3tec s HIS 68 Cb -0.10 -0.35 -0.09 0.00 -1.43 0.00 0.00 32.58 30.61 3tec s HIS 68 CO 0.24 -0.43 1.35 0.14 -2.00 0.00 0.00 174.74 174.05 3tec s VAL 69 N -3.93 2.41 0.00 -5.38 -7.23 0.43 -4.22 120.40 102.47 3tec s VAL 69 Ca 0.09 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 3tec s VAL 69 Cb 0.07 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.79 3tec s VAL 69 CO -0.08 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.37