#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp n ASP 2 N 0.00 2.08 -4.72 4.04 5.75 -1.26 -4.86 116.55 117.58 1sqp n ASP 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1sqp n ASP 2 Cb 0.00 0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 1sqp n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqp n LEU 3 N -1.17 3.94 -4.82 -2.12 -0.00 -1.26 -4.91 117.00 106.65 1sqp n LEU 3 Ca 0.00 1.19 -0.23 0.00 -0.00 0.00 0.00 56.01 56.97 1sqp n LEU 3 Cb 0.21 -1.53 -0.05 0.00 -0.00 0.00 0.00 43.42 42.06 1sqp n LEU 3 CO 0.00 -0.20 -0.06 -0.70 -0.00 0.00 0.00 177.39 176.43 1sqp s GLU 4 N -1.38 2.37 -0.00 1.47 2.12 -1.26 -4.96 118.70 117.05 1sqp s GLU 4 Ca 0.59 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1sqp s GLU 4 Cb -0.55 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1sqp s GLU 4 CO 0.57 -0.22 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.90 1sqp s LEU 5 N -4.06 1.85 0.06 2.70 2.96 -1.26 -5.17 118.68 115.75 1sqp s LEU 5 Ca 0.43 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1sqp s LEU 5 Cb -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1sqp s LEU 5 CO 0.25 -0.01 0.16 -1.00 -1.32 0.00 0.00 176.35 174.43 1sqp s HIS 6 N 0.17 3.42 0.61 5.38 3.76 -1.26 -4.78 115.29 122.59 1sqp s HIS 6 Ca -0.01 0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 54.92 1sqp s HIS 6 Cb -0.03 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 1sqp s HIS 6 CO -0.00 0.57 1.13 -0.35 -0.85 0.00 0.00 174.74 175.24 1sqp n PRO 7 N 0.44 1.05 0.00 8.40 -0.04 -1.26 -5.06 135.00 138.53 1sqp n PRO 7 Ca -0.07 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1sqp n PRO 7 Cb 0.51 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1sqp n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1sqp n PRO 8 N -1.35 0.00 -2.69 0.54 -0.02 -1.26 -5.02 135.00 125.20 1sqp n PRO 8 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1sqp n PRO 8 Cb 0.47 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.99 1sqp n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sqp n SER 9 N 0.00 -1.76 -4.72 2.55 2.88 -1.26 -5.06 113.62 106.24 1sqp n SER 9 Ca 0.00 -1.51 -0.42 0.00 -1.33 0.00 0.00 58.87 55.61 1sqp n SER 9 Cb 0.00 0.92 -0.03 0.00 -0.75 0.00 0.00 64.21 64.35 1sqp n SER 9 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1sqp s TYR 10 N 0.77 3.22 -1.39 0.66 1.51 -1.26 -4.91 117.35 115.95 1sqp s TYR 10 Ca 0.25 0.97 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 1sqp s TYR 10 Cb 0.13 -3.70 0.04 0.00 -0.11 0.00 0.00 41.96 38.33 1sqp s TYR 10 CO -0.10 -2.40 2.07 -0.35 -1.11 0.00 0.00 175.55 173.66 1sqp n PRO 11 N 3.65 2.91 -1.25 -1.71 -0.04 -1.26 -4.98 135.00 132.32 1sqp n PRO 11 Ca 0.11 -2.79 -0.35 0.00 -0.04 0.00 0.00 63.50 60.43 1sqp n PRO 11 Cb 0.42 -3.35 0.11 0.00 -0.04 0.00 0.00 33.50 30.63 1sqp n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1sqp n TRP 12 N 6.91 0.92 1.34 0.54 7.02 -1.26 -4.89 117.44 128.02 1sqp n TRP 12 Ca 0.51 0.39 0.08 0.00 -1.02 0.00 0.00 57.50 57.46 1sqp n TRP 12 Cb 0.41 -2.09 0.48 0.00 -2.42 0.00 0.00 31.31 27.69 1sqp n TRP 12 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1sqp n SER 13 N -2.36 0.00 0.00 -0.99 2.88 -1.26 -3.48 113.62 108.40 1sqp n SER 13 Ca 0.13 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 1sqp n SER 13 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1sqp n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqp n HIS 14 N -0.88 0.00 1.88 0.66 1.44 -1.25 -4.36 115.22 112.71 1sqp n HIS 14 Ca 0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 1sqp n HIS 14 Cb 0.06 0.00 0.64 0.00 0.12 0.00 0.00 29.99 30.80 1sqp n HIS 14 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1sqp n ARG 15 N -0.63 1.13 -1.64 -1.40 1.74 -1.23 -4.46 116.66 110.16 1sqp n ARG 15 Ca 0.00 -0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.53 1sqp n ARG 15 Cb 0.00 -1.37 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 1sqp n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sqp s GLY 16 N -1.72 2.65 0.00 -0.13 0.00 -1.26 -4.88 107.32 101.99 1sqp s GLY 16 Ca 0.34 1.07 0.01 0.00 0.00 0.00 0.00 44.72 46.15 1sqp s GLY 16 CO 0.27 1.49 0.28 1.04 0.00 0.00 0.00 173.10 176.18 1sqp n LEU 17 N -2.19 0.00 0.00 0.66 4.77 -1.26 -2.69 117.00 116.28 1sqp n LEU 17 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1sqp n LEU 17 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1sqp n LEU 17 CO 0.47 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.42 1sqp n LEU 18 N -0.66 0.00 -4.84 2.23 7.94 -1.26 -5.14 117.00 115.27 1sqp n LEU 18 Ca 0.01 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.54 1sqp n LEU 18 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.90 1sqp n LEU 18 CO 0.01 0.08 0.15 -0.44 -1.11 0.00 0.00 177.39 176.07 1sqp s SER 19 N 0.00 6.80 0.87 1.96 0.01 -1.10 -4.85 113.70 117.39 1sqp s SER 19 Ca 0.00 0.98 -0.13 0.00 1.31 0.00 0.00 55.95 58.11 1sqp s SER 19 Cb 0.00 -2.25 0.12 0.00 0.21 0.00 0.00 66.02 64.10 1sqp s SER 19 CO 0.00 0.22 1.19 -0.94 0.41 0.00 0.00 173.24 174.13 1sqp s SER 20 N -1.42 3.96 0.51 2.44 1.04 -1.26 -4.42 113.70 114.54 1sqp s SER 20 Ca 0.30 0.73 -0.21 0.00 0.48 0.00 0.00 55.95 57.26 1sqp s SER 20 Cb -0.16 -1.16 -0.07 0.00 0.10 0.00 0.00 66.02 64.74 1sqp s SER 20 CO 0.17 -2.25 1.12 -0.76 0.98 0.00 0.00 173.24 172.50 1sqp s LEU 21 N -5.77 3.84 -0.62 2.42 1.43 -1.26 -3.90 118.68 114.82 1sqp s LEU 21 Ca 0.65 2.17 -0.28 0.00 -1.03 0.00 0.00 54.13 55.64 1sqp s LEU 21 Cb -0.11 -4.48 0.03 0.00 0.03 0.00 0.00 46.19 41.66 1sqp s LEU 21 CO 0.51 -1.05 1.25 -0.62 0.23 0.00 0.00 176.35 176.66 1sqp s ASP 22 N -1.69 6.33 0.44 2.29 2.15 -1.26 -4.92 116.67 120.01 1sqp s ASP 22 Ca 0.69 -0.00 0.21 0.00 0.43 0.00 0.00 52.55 53.88 1sqp s ASP 22 Cb -0.24 -2.55 1.03 0.00 -0.30 0.00 0.00 42.92 40.86 1sqp s ASP 22 CO 0.28 -1.61 1.91 0.45 -0.17 0.00 0.00 175.17 176.03 1sqp h HIS 23 N 9.91 0.00 -0.07 -5.34 3.86 -1.93 -2.12 115.15 119.45 1sqp h HIS 23 Ca -0.26 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.84 1sqp h HIS 23 Cb 1.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1sqp h HIS 23 CO 1.06 0.25 -0.44 1.15 0.86 0.00 0.00 177.93 180.81 1sqp h THR 24 N 0.00 1.32 0.00 2.45 2.02 -1.92 -3.20 112.91 113.58 1sqp h THR 24 Ca -0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1sqp h THR 24 Cb 0.58 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1sqp h THR 24 CO 0.03 0.46 -1.17 -1.54 0.37 0.00 0.00 175.52 173.67 1sqp n SER 25 N -4.00 0.57 -0.22 4.18 3.41 -0.98 -3.19 113.62 113.38 1sqp n SER 25 Ca -0.02 -0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.37 1sqp n SER 25 Cb 0.49 0.94 0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1sqp n SER 25 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1sqp h ILE 26 N 0.00 1.26 0.35 -1.33 2.04 -1.46 -2.60 117.51 115.78 1sqp h ILE 26 Ca 0.00 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1sqp h ILE 26 Cb 0.80 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1sqp h ILE 26 CO 0.00 0.39 -0.37 -0.09 0.00 0.00 0.00 178.15 178.08 1sqp h ARG 27 N 0.95 -0.73 -0.90 2.37 2.43 -1.60 -2.39 114.38 114.51 1sqp h ARG 27 Ca 0.18 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1sqp h ARG 27 Cb 0.48 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1sqp h ARG 27 CO 0.02 -0.49 0.59 0.00 -1.51 0.00 0.00 179.97 178.58 1sqp h ARG 28 N -0.76 1.14 0.00 0.20 3.08 -1.58 -1.93 114.38 114.54 1sqp h ARG 28 Ca -0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1sqp h ARG 28 Cb 0.69 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1sqp h ARG 28 CO -0.08 0.75 -0.22 0.78 -1.07 0.00 0.00 179.97 180.14 1sqp h GLY 29 N 1.18 0.00 0.98 0.04 0.00 -1.40 -2.48 103.07 101.39 1sqp h GLY 29 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1sqp h GLY 29 CO -0.10 0.00 0.27 -2.75 0.00 0.00 0.00 176.54 173.96 1sqp h PHE 30 N 0.00 0.67 -0.92 5.60 3.57 -0.81 -2.68 116.94 122.36 1sqp h PHE 30 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sqp h PHE 30 Cb 0.47 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1sqp h PHE 30 CO 0.00 0.49 0.58 1.96 -2.23 0.00 0.00 178.31 179.12 1sqp h GLN 31 N 0.65 1.24 0.00 1.11 4.20 -1.47 0.20 115.11 121.04 1sqp h GLN 31 Ca 0.17 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1sqp h GLN 31 Cb 0.04 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1sqp h GLN 31 CO -0.03 0.84 0.00 0.28 -0.67 0.00 0.00 178.83 179.25 1sqp h VAL 32 N 1.26 0.00 0.10 -0.54 2.07 -1.32 0.12 116.25 117.94 1sqp h VAL 32 Ca 0.34 -0.16 -0.36 0.00 0.82 0.00 0.00 66.70 67.33 1sqp h VAL 32 Cb -0.10 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1sqp h VAL 32 CO -0.07 0.00 -2.05 0.00 0.02 0.00 0.00 177.57 175.48 1sqp n TYR 33 N -2.74 1.06 -0.14 1.57 9.36 -0.76 -3.37 117.16 122.13 1sqp n TYR 33 Ca -0.01 0.24 -0.06 0.00 3.32 0.00 0.00 57.90 61.38 1sqp n TYR 33 Cb 0.14 -1.14 0.02 0.00 -0.63 0.00 0.00 39.34 37.74 1sqp n TYR 33 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1sqp h LYS 34 N 0.06 0.49 -0.00 2.98 1.63 0.21 0.29 116.57 122.22 1sqp h LYS 34 Ca -0.44 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1sqp h LYS 34 Cb 2.02 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.54 1sqp h LYS 34 CO 0.06 0.32 0.00 0.00 -3.45 0.00 0.00 179.45 176.39 1sqp n GLN 35 N -4.86 2.10 0.02 1.90 0.00 -1.07 -4.51 117.38 110.96 1sqp n GLN 35 Ca 0.02 -1.28 -0.00 0.00 0.00 0.00 0.00 57.00 55.74 1sqp n GLN 35 Cb 0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 30.24 29.32 1sqp n GLN 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sqp n VAL 36 N -0.38 0.46 1.05 -0.39 0.31 -1.22 -4.84 118.33 113.32 1sqp n VAL 36 Ca 0.00 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.59 1sqp n VAL 36 Cb 0.20 -1.23 0.32 0.00 -0.91 0.00 0.00 33.84 32.21 1sqp n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqp n SER 38 N 0.50 0.80 -0.28 0.00 7.64 0.99 -2.44 113.62 120.82 1sqp n SER 38 Ca 0.16 0.62 0.13 0.00 1.01 0.00 0.00 58.87 60.79 1sqp n SER 38 Cb 0.35 -0.82 0.39 0.00 -1.01 0.00 0.00 64.21 63.12 1sqp n SER 38 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1sqp n SER 39 N -2.30 1.12 0.00 6.43 3.41 -1.25 -4.06 113.62 116.96 1sqp n SER 39 Ca 0.04 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1sqp n SER 39 Cb 0.35 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1sqp n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqp s HIS 41 N 0.00 0.99 0.46 0.00 4.02 -1.02 -4.76 115.29 114.97 1sqp s HIS 41 Ca 0.00 -0.50 -0.22 0.00 1.02 0.00 0.00 55.06 55.36 1sqp s HIS 41 Cb 0.00 -0.98 -0.08 0.00 -1.02 0.00 0.00 32.58 30.50 1sqp s HIS 41 CO 0.00 -0.45 1.07 -1.54 1.02 0.00 0.00 174.74 174.85 1sqp s SER 42 N 1.87 6.40 -0.30 1.40 1.04 -1.26 -4.58 113.70 118.26 1sqp s SER 42 Ca 0.03 2.06 0.19 0.00 0.48 0.00 0.00 55.95 58.71 1sqp s SER 42 Cb -0.14 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 63.88 1sqp s SER 42 CO -0.07 -0.75 1.04 0.23 0.98 0.00 0.00 173.24 174.67 1sqp n MET 43 N -0.60 1.62 -0.16 4.02 2.00 -1.26 0.26 117.12 123.00 1sqp n MET 43 Ca 0.08 -3.47 0.28 0.00 0.00 0.00 0.00 57.70 54.59 1sqp n MET 43 Cb 0.51 -1.50 0.57 0.00 0.00 0.00 0.00 33.22 32.80 1sqp n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1sqp h ASP 44 N 2.78 0.00 -0.05 7.83 3.32 -1.94 -1.04 116.42 127.32 1sqp h ASP 44 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1sqp h ASP 44 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1sqp h ASP 44 CO 0.40 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.70 1sqp n TYR 45 N -3.47 0.03 -3.97 4.55 4.01 -1.26 -4.73 117.16 112.32 1sqp n TYR 45 Ca 0.20 -0.01 -0.35 0.00 -0.16 0.00 0.00 57.90 57.58 1sqp n TYR 45 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 40.17 1sqp n TYR 45 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sqp s VAL 46 N -1.97 3.10 0.43 -0.72 1.01 -0.40 -5.07 120.40 116.77 1sqp s VAL 46 Ca 0.31 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1sqp s VAL 46 Cb 0.20 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1sqp s VAL 46 CO 0.31 0.45 0.58 0.00 0.00 0.00 0.00 175.10 176.43 1sqp s ALA 47 N 1.41 4.53 0.22 5.51 0.00 -1.26 -2.25 121.76 129.92 1sqp s ALA 47 Ca 0.05 -1.70 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 1sqp s ALA 47 Cb -0.14 -1.61 0.20 0.00 0.00 0.00 0.00 23.12 21.58 1sqp s ALA 47 CO -0.05 -0.31 1.60 1.88 0.00 0.00 0.00 175.76 178.88 1sqp h TYR 48 N 0.63 0.73 -0.14 0.00 0.05 -1.46 -3.10 116.97 113.68 1sqp h TYR 48 Ca -0.40 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.22 1sqp h TYR 48 Cb 1.28 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1sqp h TYR 48 CO 0.40 0.90 0.11 0.07 -1.05 0.00 0.00 178.16 178.59 1sqp h ARG 49 N 0.51 0.00 -0.21 4.88 0.11 -1.16 -2.22 114.38 116.29 1sqp h ARG 49 Ca 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 1sqp h ARG 49 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 1sqp h ARG 49 CO 0.08 0.00 -0.01 0.45 0.10 0.00 0.00 179.97 180.59 1sqp h HIS 50 N 0.00 0.31 0.00 4.08 3.86 -1.84 -2.71 115.15 118.85 1sqp h HIS 50 Ca 0.07 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1sqp h HIS 50 Cb 0.29 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1sqp h HIS 50 CO 0.00 0.33 -0.16 -0.07 0.86 0.00 0.00 177.93 178.89 1sqp h LEU 51 N 0.30 0.00 -9.84 2.43 3.38 -1.55 -3.42 115.31 106.61 1sqp h LEU 51 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 1sqp h LEU 51 Cb 0.22 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.04 1sqp h LEU 51 CO 0.01 0.16 0.72 -0.69 0.09 0.00 0.00 178.44 178.72 1sqp s VAL 52 N -3.80 2.55 0.00 1.22 1.01 -1.03 -2.20 120.40 118.16 1sqp s VAL 52 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1sqp s VAL 52 Cb 0.11 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1sqp s VAL 52 CO 0.60 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1sqp n GLY 53 N 1.30 2.30 0.01 4.51 0.00 -1.01 -4.71 105.19 107.59 1sqp n GLY 53 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1sqp n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sqp h VAL 54 N 0.00 0.00 0.00 1.61 2.07 -1.76 -3.47 116.25 114.69 1sqp h VAL 54 Ca 0.00 -0.08 -0.21 0.00 0.82 0.00 0.00 66.70 67.23 1sqp h VAL 54 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1sqp h VAL 54 CO 0.00 0.00 -1.69 0.00 0.02 0.00 0.00 177.57 175.90 1sqp s TYR 56 N -2.22 2.88 0.55 0.00 1.51 -1.12 -4.96 117.35 113.99 1sqp s TYR 56 Ca -0.17 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1sqp s TYR 56 Cb 0.07 -2.16 0.11 0.00 -0.11 0.00 0.00 41.96 39.86 1sqp s TYR 56 CO 0.22 -0.18 0.75 0.25 -1.11 0.00 0.00 175.55 175.48 1sqp n THR 57 N -1.67 0.00 -0.25 -0.71 -2.24 -1.26 -2.40 114.28 105.75 1sqp n THR 57 Ca 0.04 -1.10 -0.04 0.00 -2.27 0.00 0.00 64.05 60.68 1sqp n THR 57 Cb 0.59 -1.09 0.07 0.00 -2.10 0.00 0.00 70.33 67.80 1sqp n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sqp h GLU 58 N 0.00 0.85 0.21 -0.78 4.81 -1.97 -2.59 114.58 115.11 1sqp h GLU 58 Ca -0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1sqp h GLU 58 Cb 0.88 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1sqp h GLU 58 CO 0.25 0.56 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.56 1sqp h ASP 59 N 0.88 -0.24 -0.94 1.04 5.19 -2.00 -2.93 116.42 117.42 1sqp h ASP 59 Ca 0.27 -0.27 0.16 0.00 -0.62 0.00 0.00 57.03 56.58 1sqp h ASP 59 Cb -0.02 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 39.46 1sqp h ASP 59 CO -0.09 0.19 0.54 -0.33 -3.12 0.00 0.00 179.24 176.42 1sqp h GLU 60 N -0.73 0.71 -0.31 3.56 5.08 -1.95 0.67 114.58 121.61 1sqp h GLU 60 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1sqp h GLU 60 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1sqp h GLU 60 CO 0.05 0.47 -0.14 0.00 -1.00 0.00 0.00 179.01 178.38 1sqp h ALA 61 N 1.60 0.44 -0.76 3.43 0.00 -1.51 -1.40 119.26 121.05 1sqp h ALA 61 Ca 0.52 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sqp h ALA 61 Cb 0.76 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1sqp h ALA 61 CO -0.36 0.33 0.37 -0.22 0.00 0.00 0.00 179.25 179.37 1sqp h LYS 62 N 0.41 1.10 -0.66 0.00 3.64 -1.12 -1.26 116.57 118.67 1sqp h LYS 62 Ca 0.07 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1sqp h LYS 62 Cb 0.67 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1sqp h LYS 62 CO 0.04 0.85 0.33 0.00 -2.27 0.00 0.00 179.45 178.40 1sqp h ALA 63 N 1.19 1.33 0.01 5.00 0.00 -0.73 -0.87 119.26 125.20 1sqp h ALA 63 Ca 0.26 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1sqp h ALA 63 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sqp h ALA 63 CO -0.03 0.53 -0.88 -0.07 0.00 0.00 0.00 179.25 178.80 1sqp h LEU 64 N 0.93 0.10 -0.19 0.00 3.38 -1.11 -3.30 115.31 115.12 1sqp h LEU 64 Ca 0.23 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sqp h LEU 64 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sqp h LEU 64 CO -0.03 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.37 1sqp h ALA 65 N 1.07 0.26 0.00 1.53 0.00 -0.56 -3.21 119.26 118.35 1sqp h ALA 65 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sqp h ALA 65 Cb 1.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1sqp h ALA 65 CO 0.12 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.81 1sqp n GLU 66 N -4.63 0.14 0.03 0.00 1.02 -0.39 -3.17 120.64 113.64 1sqp n GLU 66 Ca -0.05 0.63 0.06 0.00 -0.02 0.00 0.00 57.16 57.78 1sqp n GLU 66 Cb 0.28 -1.95 0.26 0.00 -0.02 0.00 0.00 31.44 30.01 1sqp n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sqp n GLU 67 N -2.25 0.04 -4.04 3.49 1.02 -1.21 -4.09 120.64 113.59 1sqp n GLU 67 Ca -0.01 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1sqp n GLU 67 Cb 0.04 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 1sqp n GLU 67 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sqp s VAL 68 N -3.08 0.19 -0.10 2.62 0.11 -1.19 -5.05 120.40 113.91 1sqp s VAL 68 Ca 0.04 -1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 1sqp s VAL 68 Cb 0.06 -1.32 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 1sqp s VAL 68 CO 0.20 -0.88 1.07 -1.61 -3.33 0.00 0.00 175.10 170.55 1sqp s GLU 69 N -3.54 4.39 -0.11 1.54 0.41 -1.26 -2.61 118.70 117.52 1sqp s GLU 69 Ca 0.03 1.47 0.02 0.00 -0.41 0.00 0.00 54.97 56.08 1sqp s GLU 69 Cb 0.05 -3.55 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1sqp s GLU 69 CO -0.09 -0.37 -0.17 0.08 -0.49 0.00 0.00 175.26 174.23 1sqp s VAL 70 N 2.13 2.74 -0.51 2.63 1.01 -0.19 -4.96 120.40 123.24 1sqp s VAL 70 Ca 0.50 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1sqp s VAL 70 Cb -0.20 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1sqp s VAL 70 CO 0.19 0.54 1.72 -1.58 0.00 0.00 0.00 175.10 175.96 1sqp s GLN 71 N 0.18 3.03 0.36 2.72 0.74 -1.26 -1.05 119.66 124.36 1sqp s GLN 71 Ca -0.10 0.81 -0.10 0.00 0.05 0.00 0.00 55.36 56.03 1sqp s GLN 71 Cb -0.16 -4.26 -0.06 0.00 1.10 0.00 0.00 33.01 29.63 1sqp s GLN 71 CO 0.06 -2.25 0.70 0.34 -0.55 0.00 0.00 175.29 173.59 1sqp s ASP 72 N 6.47 6.53 0.71 6.67 2.15 -0.82 -4.99 116.67 133.41 1sqp s ASP 72 Ca 0.67 1.04 -0.16 0.00 0.43 0.00 0.00 52.55 54.52 1sqp s ASP 72 Cb -0.15 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 1sqp s ASP 72 CO 0.26 -0.31 0.44 0.61 -0.17 0.00 0.00 175.17 175.99 1sqp n GLY 73 N -1.05 -1.75 3.66 2.66 0.00 -1.26 -3.71 105.19 103.74 1sqp n GLY 73 Ca 0.01 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1sqp n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sqp n PRO 74 N -0.44 1.92 0.00 1.61 -0.04 -1.26 -4.61 135.00 132.18 1sqp n PRO 74 Ca 0.10 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1sqp n PRO 74 Cb 0.50 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1sqp n PRO 74 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sqp n ASN 75 N 1.91 -0.17 0.07 3.54 6.94 -1.14 -4.94 115.26 121.47 1sqp n ASN 75 Ca 0.11 -0.23 -0.10 0.00 -0.02 0.00 0.00 54.58 54.34 1sqp n ASN 75 Cb 0.31 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.74 1sqp n ASN 75 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1sqp h GLU 76 N 0.00 0.31 -0.27 -3.83 9.09 -1.95 -3.29 114.58 114.63 1sqp h GLU 76 Ca 0.00 -0.30 -0.04 0.00 0.05 0.00 0.00 59.36 59.07 1sqp h GLU 76 Cb 0.00 0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 1sqp h GLU 76 CO 0.00 0.97 -0.02 -0.44 0.05 0.00 0.00 179.01 179.57 1sqp h ASP 77 N 0.19 0.39 0.00 3.06 5.19 -2.03 -3.47 116.42 119.75 1sqp h ASP 77 Ca -0.04 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1sqp h ASP 77 Cb 1.41 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1sqp h ASP 77 CO 0.13 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.34 1sqp n GLY 78 N -0.94 1.14 3.48 2.75 0.00 -1.24 -5.12 105.19 105.26 1sqp n GLY 78 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1sqp n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqp s GLU 79 N -0.40 1.89 -0.13 1.61 2.02 -1.26 -4.87 118.70 117.57 1sqp s GLU 79 Ca 0.00 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.59 1sqp s GLU 79 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1sqp s GLU 79 CO 0.00 0.50 1.08 -1.64 0.02 0.00 0.00 175.26 175.22 1sqp s MET 80 N -1.89 4.36 0.59 1.61 -1.94 -1.26 -2.89 119.30 117.87 1sqp s MET 80 Ca 0.17 1.47 0.06 0.00 -1.71 0.00 0.00 55.69 55.67 1sqp s MET 80 Cb -0.11 -3.58 0.08 0.00 2.01 0.00 0.00 34.83 33.23 1sqp s MET 80 CO 0.08 -0.44 0.81 -0.59 -0.01 0.00 0.00 175.02 174.87 1sqp s PHE 81 N 2.43 1.82 -0.11 -0.03 -0.12 -1.24 -4.98 117.98 115.74 1sqp s PHE 81 Ca 0.50 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1sqp s PHE 81 Cb -0.19 -2.51 0.01 0.00 -0.63 0.00 0.00 43.02 39.69 1sqp s PHE 81 CO 0.16 -1.17 -0.21 -1.64 -0.05 0.00 0.00 175.22 172.30 1sqp s MET 82 N -4.76 2.84 0.19 1.99 -1.94 -1.26 -1.94 119.30 114.42 1sqp s MET 82 Ca 0.62 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.89 1sqp s MET 82 Cb -0.07 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 1sqp s MET 82 CO 0.40 0.06 -0.19 -0.98 -0.01 0.00 0.00 175.02 174.30 1sqp s ARG 83 N 0.63 1.38 0.76 2.03 1.70 -0.22 -4.93 118.95 120.30 1sqp s ARG 83 Ca -0.13 -1.50 -0.14 0.00 -0.47 0.00 0.00 55.73 53.49 1sqp s ARG 83 Cb -0.17 -1.45 0.06 0.00 -0.57 0.00 0.00 34.95 32.82 1sqp s ARG 83 CO 0.03 0.29 1.22 -2.14 -1.08 0.00 0.00 175.30 173.62 1sqp s PRO 84 N -2.99 1.88 0.07 3.89 0.02 -1.26 -1.02 135.00 135.59 1sqp s PRO 84 Ca 0.19 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 1sqp s PRO 84 Cb -0.05 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1sqp s PRO 84 CO 0.08 -2.04 1.36 0.20 -0.33 0.00 0.00 177.00 176.27 1sqp s GLY 85 N -2.00 2.02 0.48 0.52 0.00 -1.07 -4.79 107.32 102.48 1sqp s GLY 85 Ca 0.75 0.99 0.05 0.00 0.00 0.00 0.00 44.72 46.52 1sqp s GLY 85 CO 0.48 2.34 0.66 0.54 0.00 0.00 0.00 173.10 177.11 1sqp s LYS 86 N 1.49 2.68 0.40 2.90 -0.14 -1.26 -2.40 119.74 123.41 1sqp s LYS 86 Ca 0.63 -1.08 0.09 0.00 -1.36 0.00 0.00 55.97 54.25 1sqp s LYS 86 Cb -0.34 -2.65 0.84 0.00 -1.68 0.00 0.00 37.83 34.01 1sqp s LYS 86 CO 0.29 -0.48 1.98 -0.07 -0.76 0.00 0.00 175.35 176.31 1sqp h LEU 87 N 0.39 0.29 -0.88 3.17 3.38 -1.90 -3.00 115.31 116.76 1sqp h LEU 87 Ca -0.40 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1sqp h LEU 87 Cb 1.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1sqp h LEU 87 CO 0.47 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 177.81 1sqp n SER 88 N -4.36 1.29 -4.80 -0.43 3.41 -1.26 -0.63 113.62 106.83 1sqp n SER 88 Ca 0.00 -1.90 -0.36 0.00 -0.26 0.00 0.00 58.87 56.35 1sqp n SER 88 Cb 0.19 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1sqp n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sqp s ASP 89 N -1.16 7.15 0.74 4.04 1.01 -1.14 -4.89 116.67 122.42 1sqp s ASP 89 Ca 0.21 1.56 -0.11 0.00 0.71 0.00 0.00 52.55 54.91 1sqp s ASP 89 Cb 0.11 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.60 1sqp s ASP 89 CO 0.15 -0.01 1.08 -0.31 0.21 0.00 0.00 175.17 176.29 1sqp s TYR 90 N -1.56 2.93 0.17 4.23 2.02 -1.26 -2.29 117.35 121.59 1sqp s TYR 90 Ca 0.46 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 58.20 1sqp s TYR 90 Cb -0.17 -2.98 -0.08 0.00 -0.40 0.00 0.00 41.96 38.33 1sqp s TYR 90 CO 0.22 -1.51 1.22 -0.06 -1.57 0.00 0.00 175.55 173.84 1sqp s PHE 91 N -3.06 3.40 0.14 2.71 0.40 -0.95 -4.87 117.98 115.74 1sqp s PHE 91 Ca 0.59 1.37 -0.34 0.00 -0.60 0.00 0.00 56.93 57.95 1sqp s PHE 91 Cb -0.15 -3.46 -0.14 0.00 0.51 0.00 0.00 43.02 39.78 1sqp s PHE 91 CO 0.55 -1.33 1.57 -2.30 0.70 0.00 0.00 175.22 174.41 1sqp n PRO 92 N 2.70 2.05 -2.49 0.24 -0.02 -1.26 -4.58 135.00 131.63 1sqp n PRO 92 Ca 0.05 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1sqp n PRO 92 Cb 0.44 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1sqp n PRO 92 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1sqp s LYS 93 N 1.07 3.84 0.17 -0.52 2.20 -1.26 -4.68 119.74 120.55 1sqp s LYS 93 Ca 0.80 1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 57.34 1sqp s LYS 93 Cb -0.71 -3.88 0.04 0.00 -1.51 0.00 0.00 37.83 31.77 1sqp s LYS 93 CO 0.40 -1.22 1.48 -1.35 -0.36 0.00 0.00 175.35 174.30 1sqp h PRO 94 N 9.30 0.71 -5.98 4.03 0.11 -1.89 -3.44 132.00 134.84 1sqp h PRO 94 Ca -0.25 -0.43 -0.68 0.00 0.11 0.00 0.00 66.00 64.75 1sqp h PRO 94 Cb 1.08 0.04 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 1sqp h PRO 94 CO 1.06 1.05 -0.82 0.71 -0.21 0.00 0.00 178.00 179.80 1sqp s TYR 95 N -4.12 2.61 0.33 0.65 2.02 -1.26 -5.04 117.35 112.54 1sqp s TYR 95 Ca -0.09 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1sqp s TYR 95 Cb 0.11 -1.66 0.59 0.00 -0.40 0.00 0.00 41.96 40.60 1sqp s TYR 95 CO 0.86 -0.08 1.89 -1.35 -1.57 0.00 0.00 175.55 175.30 1sqp h PRO 96 N 5.95 0.58 -3.13 -1.71 0.11 -1.98 -3.44 132.00 128.39 1sqp h PRO 96 Ca -0.36 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1sqp h PRO 96 Cb 1.17 -0.09 -0.25 0.00 0.11 0.00 0.00 31.00 31.94 1sqp h PRO 96 CO 0.50 0.56 -0.41 0.54 -0.21 0.00 0.00 178.00 178.98 1sqp s ASN 97 N -6.70 -0.25 0.00 -2.05 2.20 -1.26 -5.05 114.94 101.82 1sqp s ASN 97 Ca -0.08 0.47 0.00 0.00 -0.94 0.00 0.00 52.86 52.31 1sqp s ASN 97 Cb 0.16 0.50 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1sqp s ASN 97 CO 0.77 -0.12 0.74 -2.65 -2.94 0.00 0.00 177.10 172.90 1sqp n PRO 98 N 2.81 0.00 0.10 3.55 -0.02 -1.26 -0.31 135.00 139.87 1sqp n PRO 98 Ca -0.14 0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 1sqp n PRO 98 Cb 0.58 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1sqp n PRO 98 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sqp h GLU 99 N 0.00 0.00 0.00 -0.52 3.07 -1.98 -3.19 114.58 111.95 1sqp h GLU 99 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1sqp h GLU 99 Cb 0.53 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1sqp h GLU 99 CO 0.00 0.79 -0.49 0.00 -1.40 0.00 0.00 179.01 177.91 1sqp h ALA 100 N 1.21 0.91 -0.39 3.43 0.00 -1.08 -3.02 119.26 120.31 1sqp h ALA 100 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1sqp h ALA 100 Cb 1.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1sqp h ALA 100 CO 0.10 0.61 0.04 0.00 0.00 0.00 0.00 179.25 180.00 1sqp h ALA 101 N 1.51 1.33 0.19 0.00 0.00 -1.58 -2.47 119.26 118.23 1sqp h ALA 101 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sqp h ALA 101 Cb 1.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sqp h ALA 101 CO 0.06 0.46 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 1sqp h ARG 102 N 0.58 -0.24 0.00 0.00 -0.00 -1.54 -2.65 114.38 110.53 1sqp h ARG 102 Ca 0.13 0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.49 1sqp h ARG 102 Cb 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.32 1sqp h ARG 102 CO 0.01 0.05 -0.63 0.00 0.00 0.00 0.00 179.97 179.40 1sqp h ALA 103 N 0.20 0.79 -0.27 0.04 0.00 -1.57 -2.72 119.26 115.73 1sqp h ALA 103 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1sqp h ALA 103 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sqp h ALA 103 CO 0.04 0.78 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1sqp n ALA 104 N -2.34 2.64 -2.76 0.00 0.00 -0.93 -4.61 120.51 112.51 1sqp n ALA 104 Ca -0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 53.44 51.46 1sqp n ALA 104 Cb 0.68 -0.57 0.04 0.00 0.00 0.00 0.00 19.45 19.60 1sqp n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sqp n ASN 105 N -0.21 0.55 -3.47 0.00 4.05 -1.00 -5.00 115.26 110.18 1sqp n ASN 105 Ca 0.17 -2.77 -0.20 0.00 0.45 0.00 0.00 54.58 52.23 1sqp n ASN 105 Cb 0.70 -0.15 0.06 0.00 1.23 0.00 0.00 39.78 41.62 1sqp n ASN 105 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1sqp n ASN 106 N -0.07 -3.94 0.00 1.20 3.02 -1.26 -3.60 115.26 110.60 1sqp n ASN 106 Ca 0.10 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1sqp n ASN 106 Cb 0.79 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1sqp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqp n GLY 107 N -1.36 1.19 3.87 7.41 0.00 -1.02 -4.89 105.19 110.38 1sqp n GLY 107 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1sqp n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp s ALA 108 N 0.00 3.16 -0.38 4.61 0.00 -1.24 -4.66 121.76 123.25 1sqp s ALA 108 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 1sqp s ALA 108 Cb 0.00 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1sqp s ALA 108 CO 0.00 -0.42 0.21 -0.48 0.00 0.00 0.00 175.76 175.07 1sqp s LEU 109 N -4.60 4.73 0.10 0.00 -0.00 -1.26 -4.21 118.68 113.44 1sqp s LEU 109 Ca 0.55 -1.00 -0.31 0.00 -0.00 0.00 0.00 54.13 53.37 1sqp s LEU 109 Cb -0.10 -2.03 -0.07 0.00 -0.00 0.00 0.00 46.19 43.98 1sqp s LEU 109 CO 0.43 -0.39 1.36 -2.16 -0.00 0.00 0.00 176.35 175.59 1sqp s PRO 110 N 1.55 4.34 0.69 1.48 0.04 -1.26 -5.03 135.00 136.81 1sqp s PRO 110 Ca 0.02 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1sqp s PRO 110 Cb -0.19 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1sqp s PRO 110 CO 0.07 -0.41 1.07 -2.14 0.04 0.00 0.00 177.00 175.62 1sqp s PRO 111 N 1.14 2.96 0.23 0.56 0.02 -1.26 -4.89 135.00 133.77 1sqp s PRO 111 Ca 0.64 0.65 -0.31 0.00 0.02 0.00 0.00 61.00 62.00 1sqp s PRO 111 Cb -0.36 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 1sqp s PRO 111 CO 0.30 -1.00 1.50 0.34 -0.33 0.00 0.00 177.00 177.81 1sqp s ASP 112 N -4.15 6.59 0.20 2.53 -1.08 -1.26 -4.47 116.67 115.03 1sqp s ASP 112 Ca 0.58 2.69 0.23 0.00 -0.52 0.00 0.00 52.55 55.52 1sqp s ASP 112 Cb -0.12 -2.61 0.08 0.00 -1.46 0.00 0.00 42.92 38.80 1sqp s ASP 112 CO 0.53 -0.77 1.12 -0.07 0.52 0.00 0.00 175.17 176.50 1sqp h LEU 113 N 5.60 0.00 -9.81 -1.34 3.38 -0.52 -3.42 115.31 109.20 1sqp h LEU 113 Ca -0.45 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 56.95 1sqp h LEU 113 Cb 1.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.01 1sqp h LEU 113 CO 0.83 0.02 0.60 -0.94 0.09 0.00 0.00 178.44 179.04 1sqp s SER 114 N -5.16 6.94 -1.18 -0.43 1.04 -1.26 -3.15 113.70 110.50 1sqp s SER 114 Ca 0.01 2.50 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1sqp s SER 114 Cb 0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1sqp s SER 114 CO 0.77 -0.42 0.19 -1.22 0.98 0.00 0.00 173.24 173.54 1sqp n TYR 115 N 1.37 -1.00 0.06 5.02 4.01 -0.82 -4.96 117.16 120.83 1sqp n TYR 115 Ca 0.01 0.16 -0.16 0.00 -0.16 0.00 0.00 57.90 57.75 1sqp n TYR 115 Cb 0.43 -3.26 -0.14 0.00 -0.31 0.00 0.00 39.34 36.06 1sqp n TYR 115 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1sqp h ILE 116 N -0.43 1.13 0.00 -0.72 6.09 -1.79 -3.17 117.51 118.62 1sqp h ILE 116 Ca -0.36 -2.79 0.00 0.00 -1.37 0.00 0.00 64.86 60.34 1sqp h ILE 116 Cb 1.26 2.73 0.00 0.00 0.47 0.00 0.00 36.82 41.28 1sqp h ILE 116 CO 0.41 0.81 0.00 1.33 -3.07 0.00 0.00 178.15 177.62 1sqp n VAL 117 N -3.43 0.00 0.00 2.19 0.24 -1.26 -2.94 118.33 113.13 1sqp n VAL 117 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1sqp n VAL 117 Cb 1.04 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1sqp n VAL 117 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sqp n ARG 118 N -0.66 4.02 0.00 7.34 1.74 -1.25 -4.12 116.66 123.72 1sqp n ARG 118 Ca 0.06 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1sqp n ARG 118 Cb 0.03 -0.37 0.03 0.00 -1.02 0.00 0.00 32.46 31.12 1sqp n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqp n ALA 119 N -0.65 3.01 -3.45 7.54 0.00 -1.15 -4.90 120.51 120.91 1sqp n ALA 119 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 53.44 52.53 1sqp n ALA 119 Cb 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 18.63 1sqp n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sqp s ARG 120 N -1.93 2.71 -0.03 0.00 1.81 -1.22 -5.10 118.95 115.19 1sqp s ARG 120 Ca 0.18 -0.75 -0.35 0.00 -1.72 0.00 0.00 55.73 53.09 1sqp s ARG 120 Cb 0.15 -2.14 -0.13 0.00 -0.45 0.00 0.00 34.95 32.38 1sqp s ARG 120 CO 0.39 0.06 1.72 0.72 -0.68 0.00 0.00 175.30 177.51 1sqp n HIS 121 N 3.83 2.20 0.00 -0.53 8.25 -1.26 -0.89 115.22 126.82 1sqp n HIS 121 Ca -0.20 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1sqp n HIS 121 Cb 0.52 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.06 1sqp n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqp n GLY 122 N 3.92 2.47 7.00 -1.41 0.00 -1.26 -4.76 105.19 111.14 1sqp n GLY 122 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1sqp n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 123 N -2.00 2.18 0.20 -0.02 0.00 -0.07 -3.26 105.19 102.22 1sqp n GLY 123 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 1sqp n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sqp h GLU 124 N 0.00 0.43 -1.00 1.61 5.08 -1.88 -2.80 114.58 116.02 1sqp h GLU 124 Ca 0.00 -0.27 0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1sqp h GLU 124 Cb 0.00 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1sqp h GLU 124 CO 0.00 0.87 0.63 -0.44 -1.00 0.00 0.00 179.01 179.07 1sqp h ASP 125 N 0.33 0.92 -0.18 1.42 3.32 -1.94 0.21 116.42 120.50 1sqp h ASP 125 Ca 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1sqp h ASP 125 Cb 1.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1sqp h ASP 125 CO 0.10 0.49 0.01 0.22 -1.72 0.00 0.00 179.24 178.34 1sqp h TYR 126 N 0.99 0.35 -0.50 4.55 3.20 -1.59 0.24 116.97 124.20 1sqp h TYR 126 Ca 0.49 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.25 1sqp h TYR 126 Cb 0.49 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1sqp h TYR 126 CO -0.00 0.51 0.11 0.28 -1.64 0.00 0.00 178.16 177.42 1sqp h VAL 127 N 0.08 1.24 -0.74 1.81 2.07 -1.27 0.15 116.25 119.60 1sqp h VAL 127 Ca 0.05 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1sqp h VAL 127 Cb 0.37 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1sqp h VAL 127 CO 0.01 0.31 0.49 0.15 0.02 0.00 0.00 177.57 178.55 1sqp h PHE 128 N 0.70 0.93 -0.33 1.57 3.57 -0.48 0.25 116.94 123.15 1sqp h PHE 128 Ca 0.16 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1sqp h PHE 128 Cb 0.35 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1sqp h PHE 128 CO 0.02 0.58 -0.25 0.77 -2.23 0.00 0.00 178.31 177.21 1sqp h SER 129 N 1.00 0.65 -0.18 0.41 0.02 -0.36 0.10 113.55 115.20 1sqp h SER 129 Ca 0.27 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1sqp h SER 129 Cb -0.11 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1sqp h SER 129 CO -0.06 0.88 -0.32 0.25 -1.14 0.00 0.00 176.83 176.44 1sqp h LEU 130 N 0.56 0.59 0.06 5.07 5.85 -0.30 -1.08 115.31 126.05 1sqp h LEU 130 Ca 0.08 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1sqp h LEU 130 Cb 0.72 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1sqp h LEU 130 CO 0.06 1.02 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.07 1sqp h LEU 131 N 0.18 -0.07 0.02 2.25 3.38 -0.48 -3.35 115.31 117.24 1sqp h LEU 131 Ca 0.01 -0.25 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 1sqp h LEU 131 Cb 0.91 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1sqp h LEU 131 CO 0.07 0.21 -1.26 0.00 0.09 0.00 0.00 178.44 177.56 1sqp h THR 132 N -0.35 1.42 -0.56 0.22 1.03 -0.91 -3.38 112.91 110.38 1sqp h THR 132 Ca -0.01 -3.15 -0.34 0.00 -0.01 0.00 0.00 66.41 62.90 1sqp h THR 132 Cb 0.31 2.74 -0.14 0.00 -1.07 0.00 0.00 68.15 69.99 1sqp h THR 132 CO 0.01 0.83 0.37 0.61 -0.01 0.00 0.00 175.52 177.34 1sqp n GLY 133 N 1.45 4.07 3.72 2.99 0.00 -0.41 -4.94 105.19 112.07 1sqp n GLY 133 Ca -0.07 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1sqp n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqp s TYR 134 N -1.65 3.72 0.23 1.61 2.02 -1.26 -4.51 117.35 117.50 1sqp s TYR 134 Ca 0.37 1.71 -0.10 0.00 -0.37 0.00 0.00 57.07 58.67 1sqp s TYR 134 Cb 0.27 -3.13 -0.01 0.00 -0.40 0.00 0.00 41.96 38.68 1sqp s TYR 134 CO -0.05 -0.08 0.39 0.00 -1.57 0.00 0.00 175.55 174.25 1sqp s GLU 136 N -4.03 4.33 0.59 0.00 8.01 -1.26 -4.71 118.70 121.63 1sqp s GLU 136 Ca 0.24 1.07 -0.19 0.00 0.01 0.00 0.00 54.97 56.10 1sqp s GLU 136 Cb 0.01 -2.63 -0.04 0.00 -4.31 0.00 0.00 34.13 27.16 1sqp s GLU 136 CO 0.08 0.22 1.08 -0.35 0.01 0.00 0.00 175.26 176.30 1sqp n PRO 137 N 0.19 1.07 -2.13 0.39 -0.04 -1.26 -5.01 135.00 128.21 1sqp n PRO 137 Ca 0.02 0.41 -0.27 0.00 -0.04 0.00 0.00 63.50 63.63 1sqp n PRO 137 Cb 0.52 -2.28 0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1sqp n PRO 137 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1sqp s PRO 138 N -2.84 2.15 0.34 0.54 0.04 -1.26 -5.05 135.00 128.92 1sqp s PRO 138 Ca 0.76 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.35 1sqp s PRO 138 Cb -0.42 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1sqp s PRO 138 CO 0.47 -1.32 1.16 0.99 0.04 0.00 0.00 177.00 178.33 1sqp s THR 139 N -3.32 3.25 0.00 1.26 2.01 -1.26 -3.58 115.64 114.00 1sqp s THR 139 Ca 0.61 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1sqp s THR 139 Cb -0.11 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1sqp s THR 139 CO 0.46 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 1sqp n GLY 140 N 0.84 2.97 3.44 4.40 0.00 -1.26 -5.01 105.19 110.58 1sqp n GLY 140 Ca 0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1sqp n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqp s VAL 141 N -1.79 3.72 -0.27 1.61 1.01 -1.23 -5.10 120.40 118.35 1sqp s VAL 141 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1sqp s VAL 141 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1sqp s VAL 141 CO 0.00 0.47 0.11 -0.94 0.00 0.00 0.00 175.10 174.74 1sqp s SER 142 N 0.69 5.39 0.01 3.32 1.04 -1.26 -4.54 113.70 118.35 1sqp s SER 142 Ca -0.02 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1sqp s SER 142 Cb -0.14 -1.98 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 1sqp s SER 142 CO 0.02 -0.07 1.53 -1.48 0.98 0.00 0.00 173.24 174.22 1sqp s LEU 143 N 1.64 4.33 -0.09 2.42 2.34 -1.26 -4.98 118.68 123.08 1sqp s LEU 143 Ca 0.06 2.26 -0.30 0.00 0.06 0.00 0.00 54.13 56.21 1sqp s LEU 143 Cb -0.16 -3.56 -0.04 0.00 -0.56 0.00 0.00 46.19 41.88 1sqp s LEU 143 CO 0.06 -0.82 1.49 -0.60 -1.06 0.00 0.00 176.35 175.42 1sqp s ARG 144 N 2.78 4.21 0.00 1.48 3.52 -1.26 -4.90 118.95 124.77 1sqp s ARG 144 Ca 0.69 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1sqp s ARG 144 Cb -0.35 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.18 1sqp s ARG 144 CO 0.29 -0.77 0.59 0.39 -0.81 0.00 0.00 175.30 174.99 1sqp n GLU 145 N 6.78 0.00 -0.11 5.12 -0.58 -1.26 0.22 120.64 130.82 1sqp n GLU 145 Ca 0.16 0.10 0.10 0.00 -0.42 0.00 0.00 57.16 57.10 1sqp n GLU 145 Cb 0.44 -1.50 0.33 0.00 -0.57 0.00 0.00 31.44 30.13 1sqp n GLU 145 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sqp n GLY 146 N -1.09 0.56 2.96 0.62 0.00 -1.26 -4.87 105.19 102.10 1sqp n GLY 146 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 1sqp n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 147 N -1.51 2.11 0.00 0.99 1.43 0.13 -4.47 118.68 117.37 1sqp s LEU 147 Ca 0.33 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1sqp s LEU 147 Cb 0.18 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.33 1sqp s LEU 147 CO 0.26 -0.10 0.00 -1.22 0.23 0.00 0.00 176.35 175.52 1sqp n TYR 148 N 2.36 0.00 -3.71 0.29 4.02 -1.26 -4.47 117.16 114.40 1sqp n TYR 148 Ca -0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.54 1sqp n TYR 148 Cb 0.57 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.72 1sqp n TYR 148 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1sqp s PHE 149 N 1.39 0.02 -0.04 -0.72 5.36 -1.26 -3.52 117.98 119.21 1sqp s PHE 149 Ca 0.00 0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 1sqp s PHE 149 Cb 0.00 -0.36 0.03 0.00 -0.34 0.00 0.00 43.02 42.35 1sqp s PHE 149 CO 0.00 -0.16 0.08 1.21 -1.46 0.00 0.00 175.22 174.89 1sqp s ASN 150 N 1.73 0.13 0.37 6.13 3.84 -0.47 -4.35 114.94 122.32 1sqp s ASN 150 Ca -0.01 0.15 0.07 0.00 0.21 0.00 0.00 52.86 53.27 1sqp s ASN 150 Cb -0.12 0.03 0.73 0.00 -0.55 0.00 0.00 41.25 41.33 1sqp s ASN 150 CO -0.03 -0.15 1.93 1.55 -2.79 0.00 0.00 177.10 177.61 1sqp h PRO 151 N 7.43 0.43 0.00 0.43 0.13 -1.79 -2.98 132.00 135.65 1sqp h PRO 151 Ca -0.41 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1sqp h PRO 151 Cb 1.13 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1sqp h PRO 151 CO 0.42 0.45 -0.10 1.88 -0.23 0.00 0.00 178.00 180.41 1sqp h TYR 152 N 0.42 0.00 -3.24 1.56 0.05 -1.86 -3.42 116.97 110.49 1sqp h TYR 152 Ca 0.10 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.35 1sqp h TYR 152 Cb 0.25 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.04 1sqp h TYR 152 CO 0.01 0.10 0.77 0.12 -1.05 0.00 0.00 178.16 178.11 1sqp s PHE 153 N -3.36 3.07 0.23 4.88 2.19 -1.12 -4.91 117.98 118.95 1sqp s PHE 153 Ca 0.04 0.96 -0.07 0.00 0.33 0.00 0.00 56.93 58.19 1sqp s PHE 153 Cb 0.07 -3.81 0.38 0.00 -1.31 0.00 0.00 43.02 38.35 1sqp s PHE 153 CO 0.64 -2.73 1.72 -1.00 1.83 0.00 0.00 175.22 175.68 1sqp h PRO 154 N 5.56 0.34 -0.35 10.12 0.13 -1.87 -1.84 132.00 144.08 1sqp h PRO 154 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1sqp h PRO 154 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1sqp h PRO 154 CO 0.81 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 1sqp n GLY 155 N -1.32 0.69 4.75 1.56 0.00 -1.26 -4.80 105.19 104.80 1sqp n GLY 155 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1sqp n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqp n GLN 156 N 0.56 0.00 0.00 1.61 3.00 -0.69 -4.80 117.38 117.05 1sqp n GLN 156 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1sqp n GLN 156 Cb 0.31 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.17 1sqp n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqp n ALA 157 N 0.00 0.00 -0.82 -1.58 0.00 -1.26 -1.37 120.51 115.48 1sqp n ALA 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sqp n ALA 157 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sqp n ALA 157 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1sqp n ILE 158 N 0.00 -4.26 0.00 0.00 -0.00 -1.23 -4.56 119.36 109.31 1sqp n ILE 158 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.75 1sqp n ILE 158 Cb 0.00 -2.52 0.00 0.00 -0.00 0.00 0.00 39.64 37.12 1sqp n ILE 158 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sqp n GLY 159 N 0.25 1.65 3.65 7.39 0.00 -1.26 -4.19 105.19 112.67 1sqp n GLY 159 Ca 0.00 0.05 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1sqp n GLY 159 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sqp n MET 160 N 0.00 1.86 -3.40 1.61 0.00 -1.26 -4.35 117.12 111.58 1sqp n MET 160 Ca 0.00 0.67 -0.38 0.00 0.00 0.00 0.00 57.70 57.99 1sqp n MET 160 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 30.75 1sqp n MET 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sqp s ALA 161 N 1.06 3.61 -0.45 -5.12 0.00 -1.26 -4.51 121.76 115.09 1sqp s ALA 161 Ca 0.82 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 1sqp s ALA 161 Cb -0.76 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1sqp s ALA 161 CO 0.42 0.31 0.65 -1.25 0.00 0.00 0.00 175.76 175.88 1sqp s PRO 162 N -0.52 3.26 -1.04 0.00 0.04 -1.26 -4.98 135.00 130.49 1sqp s PRO 162 Ca 0.25 -0.44 -0.03 0.00 0.04 0.00 0.00 61.00 60.83 1sqp s PRO 162 Cb -0.17 -3.97 0.31 0.00 0.04 0.00 0.00 34.50 30.71 1sqp s PRO 162 CO 0.13 -1.05 1.52 -0.35 0.04 0.00 0.00 177.00 177.29 1sqp n PRO 163 N 6.28 4.58 0.00 0.56 -0.05 -1.26 -4.51 135.00 140.60 1sqp n PRO 163 Ca -0.02 -4.59 0.00 0.00 -0.05 0.00 0.00 63.50 58.84 1sqp n PRO 163 Cb 0.48 -2.49 0.00 0.00 -0.05 0.00 0.00 33.50 31.44 1sqp n PRO 163 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1sqp n ILE 164 N 0.99 0.32 -1.63 0.52 -6.64 -1.26 -5.01 119.36 106.65 1sqp n ILE 164 Ca 0.30 -0.61 -0.38 0.00 -1.77 0.00 0.00 62.75 60.30 1sqp n ILE 164 Cb 0.32 0.90 0.05 0.00 -1.44 0.00 0.00 39.64 39.48 1sqp n ILE 164 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1sqp n TYR 165 N -0.16 0.93 -1.71 4.28 0.18 -1.26 -4.63 117.16 114.79 1sqp n TYR 165 Ca 0.00 0.43 -0.62 0.00 1.88 0.00 0.00 57.90 59.59 1sqp n TYR 165 Cb 0.11 -2.15 -0.09 0.00 -0.38 0.00 0.00 39.34 36.83 1sqp n TYR 165 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1sqp n ASN 166 N -0.87 1.83 -2.63 9.48 4.13 -1.26 -4.05 115.26 121.89 1sqp n ASN 166 Ca 0.14 1.10 -0.02 0.00 1.68 0.00 0.00 54.58 57.48 1sqp n ASN 166 Cb 0.47 -1.02 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1sqp n ASN 166 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1sqp n GLU 167 N 4.91 -2.91 0.00 3.52 1.02 -0.41 -4.97 120.64 121.81 1sqp n GLU 167 Ca 0.30 2.42 0.10 0.00 -0.02 0.00 0.00 57.16 59.96 1sqp n GLU 167 Cb 0.04 -5.07 0.02 0.00 -0.02 0.00 0.00 31.44 26.41 1sqp n GLU 167 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sqp n VAL 168 N 0.38 0.00 -3.52 2.62 0.31 -1.26 -4.99 118.33 111.87 1sqp n VAL 168 Ca 0.03 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 1sqp n VAL 168 Cb 0.11 1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 34.31 1sqp n VAL 168 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sqp s LEU 169 N -2.20 -0.40 -0.20 7.52 2.96 -1.26 -4.99 118.68 120.12 1sqp s LEU 169 Ca 0.18 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.90 1sqp s LEU 169 Cb 0.17 2.22 -0.05 0.00 0.50 0.00 0.00 46.19 49.03 1sqp s LEU 169 CO 0.46 -0.77 0.26 -1.61 -1.32 0.00 0.00 176.35 173.37 1sqp s GLU 170 N -3.33 4.18 -0.06 1.98 2.02 -1.26 -4.77 118.70 117.45 1sqp s GLU 170 Ca 0.05 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 1sqp s GLU 170 Cb -0.01 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1sqp s GLU 170 CO -0.08 0.13 1.37 -0.06 0.02 0.00 0.00 175.26 176.64 1sqp s PHE 171 N 0.81 2.76 0.08 1.61 0.08 -1.26 -4.94 117.98 117.13 1sqp s PHE 171 Ca 0.13 0.83 -0.05 0.00 0.12 0.00 0.00 56.93 57.96 1sqp s PHE 171 Cb -0.13 -3.62 0.10 0.00 -0.57 0.00 0.00 43.02 38.79 1sqp s PHE 171 CO 0.04 -2.29 0.51 -0.40 -0.10 0.00 0.00 175.22 172.98 1sqp n ASP 172 N 5.97 -0.19 -3.98 1.36 3.85 -1.26 -3.82 116.55 118.48 1sqp n ASP 172 Ca 0.14 0.57 -0.31 0.00 -0.71 0.00 0.00 54.79 54.48 1sqp n ASP 172 Cb 0.44 -0.14 -0.15 0.00 -1.35 0.00 0.00 41.12 39.92 1sqp n ASP 172 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1sqp s ASP 173 N -5.11 4.57 -0.37 -1.12 1.11 -1.26 -4.95 116.67 109.54 1sqp s ASP 173 Ca -0.05 -2.47 -0.11 0.00 0.18 0.00 0.00 52.55 50.11 1sqp s ASP 173 Cb 0.07 -1.61 0.02 0.00 1.07 0.00 0.00 42.92 42.47 1sqp s ASP 173 CO 0.24 -0.33 0.36 0.61 1.18 0.00 0.00 175.17 177.23 1sqp n GLY 174 N 3.84 -0.34 3.02 0.21 0.00 -1.25 -5.00 105.19 105.67 1sqp n GLY 174 Ca 0.04 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 1sqp n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqp s THR 175 N -1.73 -0.06 -0.07 2.61 -4.23 -1.26 -5.12 115.64 105.78 1sqp s THR 175 Ca 0.11 0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1sqp s THR 175 Cb -0.01 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1sqp s THR 175 CO 0.50 0.07 1.38 -2.84 -0.54 0.00 0.00 174.62 173.19 1sqp s PRO 176 N 1.30 4.26 -1.24 3.99 0.02 -1.26 -4.15 135.00 137.92 1sqp s PRO 176 Ca -0.09 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 62.74 1sqp s PRO 176 Cb -0.11 -3.72 0.05 0.00 0.02 0.00 0.00 34.50 30.75 1sqp s PRO 176 CO -0.08 -0.66 2.60 0.00 -0.33 0.00 0.00 177.00 178.54 1sqp n ALA 177 N 6.11 6.92 -1.56 -1.55 0.00 -1.26 -4.87 120.51 124.30 1sqp n ALA 177 Ca 0.14 -3.77 -0.30 0.00 0.00 0.00 0.00 53.44 49.51 1sqp n ALA 177 Cb 0.44 -2.81 0.22 0.00 0.00 0.00 0.00 19.45 17.30 1sqp n ALA 177 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1sqp s THR 178 N -0.49 1.80 0.02 0.00 -1.32 -1.26 -1.28 115.64 113.11 1sqp s THR 178 Ca 0.58 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.82 1sqp s THR 178 Cb 0.21 -2.78 -0.18 0.00 -1.51 0.00 0.00 72.50 68.24 1sqp s THR 178 CO -0.10 0.00 1.46 -0.03 -2.21 0.00 0.00 174.62 173.74 1sqp h MET 179 N -2.13 -0.01 0.00 7.08 4.05 -1.90 -1.10 114.93 120.92 1sqp h MET 179 Ca -0.44 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.88 1sqp h MET 179 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 1sqp h MET 179 CO 0.33 0.28 -0.49 0.66 0.23 0.00 0.00 176.91 177.92 1sqp h SER 180 N -0.30 0.00 0.10 1.39 4.64 -1.95 -2.09 113.55 115.34 1sqp h SER 180 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1sqp h SER 180 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1sqp h SER 180 CO 0.00 0.49 -0.05 -0.61 -0.87 0.00 0.00 176.83 175.79 1sqp h GLN 181 N 0.00 -0.13 0.00 4.77 5.75 -1.90 -2.59 115.11 121.01 1sqp h GLN 181 Ca -0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1sqp h GLN 181 Cb 0.90 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 1sqp h GLN 181 CO 0.06 0.38 -0.04 -0.24 -2.65 0.00 0.00 178.83 176.34 1sqp h VAL 182 N -0.76 0.39 0.16 2.39 3.04 -1.19 -1.96 116.25 118.33 1sqp h VAL 182 Ca -0.01 -0.21 -0.33 0.00 -1.01 0.00 0.00 66.70 65.14 1sqp h VAL 182 Cb 0.56 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1sqp h VAL 182 CO 0.02 0.04 -1.61 0.00 -1.01 0.00 0.00 177.57 175.01 1sqp h ALA 183 N 1.96 0.19 -0.16 3.17 0.00 -1.48 -3.36 119.26 119.58 1sqp h ALA 183 Ca -0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 1sqp h ALA 183 Cb 0.14 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sqp h ALA 183 CO 0.01 1.06 0.06 -0.22 0.00 0.00 0.00 179.25 180.16 1sqp h LYS 184 N 0.09 0.24 -0.41 0.00 3.11 -0.99 -3.17 116.57 115.45 1sqp h LYS 184 Ca -0.28 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.50 1sqp h LYS 184 Cb 2.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 33.23 1sqp h LYS 184 CO 0.18 0.33 0.20 -0.44 -2.81 0.00 0.00 179.45 176.91 1sqp h ASP 185 N 0.11 0.53 -0.48 4.20 3.32 -1.57 -0.41 116.42 122.12 1sqp h ASP 185 Ca 0.05 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.05 1sqp h ASP 185 Cb 0.17 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1sqp h ASP 185 CO -0.00 0.50 0.15 0.58 -1.72 0.00 0.00 179.24 178.75 1sqp h VAL 186 N 0.52 0.81 -0.51 -1.35 2.07 -1.70 0.10 116.25 116.19 1sqp h VAL 186 Ca 0.14 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1sqp h VAL 186 Cb 0.11 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1sqp h VAL 186 CO -0.02 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.89 1sqp n THR 188 N -4.62 0.90 -0.05 0.00 -1.04 -0.19 -1.03 114.28 108.24 1sqp n THR 188 Ca 0.02 0.26 -0.22 0.00 -2.04 0.00 0.00 64.05 62.08 1sqp n THR 188 Cb 0.10 -1.15 -0.13 0.00 -1.82 0.00 0.00 70.33 67.33 1sqp n THR 188 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1sqp n PHE 189 N -2.05 0.89 0.27 -1.42 7.35 0.29 -4.22 117.46 118.58 1sqp n PHE 189 Ca 0.02 0.23 0.15 0.00 -0.76 0.00 0.00 57.45 57.10 1sqp n PHE 189 Cb 0.20 -1.11 0.67 0.00 0.35 0.00 0.00 39.48 39.60 1sqp n PHE 189 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1sqp h LEU 190 N -0.22 0.00 -0.18 -2.13 3.38 0.83 0.14 115.31 117.12 1sqp h LEU 190 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1sqp h LEU 190 Cb 1.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1sqp h LEU 190 CO -0.04 0.07 0.05 -0.09 0.09 0.00 0.00 178.44 178.52 1sqp h ARG 191 N 0.00 0.28 -0.42 1.13 9.65 -1.29 -2.41 114.38 121.32 1sqp h ARG 191 Ca -0.00 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.71 1sqp h ARG 191 Cb 0.51 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1sqp h ARG 191 CO 0.01 0.41 -0.15 2.35 2.80 0.00 0.00 179.97 185.39 1sqp h TRP 192 N 0.11 0.88 -0.26 2.20 7.01 -1.55 0.11 115.95 124.43 1sqp h TRP 192 Ca 0.06 -0.17 -0.08 0.00 2.11 0.00 0.00 58.89 60.80 1sqp h TRP 192 Cb 0.25 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 1sqp h TRP 192 CO 0.01 0.88 0.10 0.00 -2.79 0.00 0.00 178.44 176.64 1sqp n ALA 193 N -2.49 3.25 0.00 2.65 0.00 0.41 -2.24 120.51 122.09 1sqp n ALA 193 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1sqp n ALA 193 Cb 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1sqp n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqp n ALA 194 N 0.09 2.20 -3.53 0.00 0.00 -0.91 -1.95 120.51 116.41 1sqp n ALA 194 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 1sqp n ALA 194 Cb 0.73 0.19 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 1sqp n ALA 194 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sqp s GLU 195 N -1.51 1.28 0.32 0.00 2.12 0.34 -4.80 118.70 116.45 1sqp s GLU 195 Ca 0.00 -2.38 0.00 0.00 0.36 0.00 0.00 54.97 52.95 1sqp s GLU 195 Cb 0.00 -1.92 0.52 0.00 0.26 0.00 0.00 34.13 32.99 1sqp s GLU 195 CO 0.00 -1.35 1.94 -1.35 -0.54 0.00 0.00 175.26 173.96 1sqp h PRO 196 N 5.66 0.87 0.00 4.30 0.11 -1.66 -3.04 132.00 138.24 1sqp h PRO 196 Ca 0.22 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1sqp h PRO 196 Cb 0.87 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1sqp h PRO 196 CO 0.45 0.64 0.00 1.05 -0.21 0.00 0.00 178.00 179.94 1sqp h GLU 197 N 0.87 0.00 0.00 1.05 9.09 -1.94 -3.37 114.58 120.29 1sqp h GLU 197 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1sqp h GLU 197 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1sqp h GLU 197 CO -0.03 0.00 0.00 1.58 0.05 0.00 0.00 179.01 180.61 1sqp n HIS 198 N -2.45 0.00 -0.07 2.06 -0.00 -1.15 -0.61 115.22 113.00 1sqp n HIS 198 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.07 1sqp n HIS 198 Cb 0.17 -0.48 -0.05 0.00 -0.12 0.00 0.00 29.99 29.51 1sqp n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sqp h ASP 199 N 0.00 0.37 -0.03 0.26 3.32 -1.88 -2.88 116.42 115.59 1sqp h ASP 199 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1sqp h ASP 199 Cb 0.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1sqp h ASP 199 CO 0.00 0.61 0.02 -0.74 -1.72 0.00 0.00 179.24 177.41 1sqp h HIS 200 N 0.13 0.04 -0.45 4.55 2.76 -1.16 0.45 115.15 121.46 1sqp h HIS 200 Ca 0.06 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1sqp h HIS 200 Cb 0.43 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 1sqp h HIS 200 CO 0.04 0.03 0.16 0.07 -1.30 0.00 0.00 177.93 176.93 1sqp h ARG 201 N 0.03 0.32 -0.59 5.26 0.11 -1.22 0.40 114.38 118.70 1sqp h ARG 201 Ca 0.01 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1sqp h ARG 201 Cb -0.00 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 30.98 1sqp h ARG 201 CO -0.00 0.21 0.20 0.87 0.10 0.00 0.00 179.97 181.35 1sqp h LYS 202 N 0.33 0.87 -0.40 0.08 6.56 -1.34 0.89 116.57 123.58 1sqp h LYS 202 Ca 0.21 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.60 1sqp h LYS 202 Cb 0.20 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1sqp h LYS 202 CO -0.21 0.74 0.07 -0.09 -2.06 0.00 0.00 179.45 177.90 1sqp h ARG 203 N 0.85 0.65 -0.36 3.15 2.43 0.26 -2.08 114.38 119.28 1sqp h ARG 203 Ca 0.20 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1sqp h ARG 203 Cb 0.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1sqp h ARG 203 CO -0.01 0.70 -0.35 0.52 -1.51 0.00 0.00 179.97 179.32 1sqp h MET 204 N 0.51 0.82 -0.52 0.20 2.86 0.51 -2.82 114.93 116.48 1sqp h MET 204 Ca 0.12 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1sqp h MET 204 Cb 0.36 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1sqp h MET 204 CO 0.01 1.04 0.21 0.78 1.06 0.00 0.00 176.91 180.01 1sqp h GLY 205 N 0.90 0.80 0.80 8.32 0.00 0.91 0.27 103.07 115.06 1sqp h GLY 205 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1sqp h GLY 205 CO 0.08 0.38 -0.01 -2.00 0.00 0.00 0.00 176.54 174.99 1sqp h LEU 206 N 0.74 0.30 -0.71 3.11 5.85 -1.28 -0.61 115.31 122.72 1sqp h LEU 206 Ca 0.18 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1sqp h LEU 206 Cb 0.14 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1sqp h LEU 206 CO -0.02 0.55 0.46 0.11 -0.34 0.00 0.00 178.44 179.19 1sqp h LYS 207 N 0.05 0.88 0.05 1.25 1.57 -1.14 0.12 116.57 119.35 1sqp h LYS 207 Ca 0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1sqp h LYS 207 Cb 0.39 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sqp h LYS 207 CO 0.01 0.59 -0.13 1.98 -0.57 0.00 0.00 179.45 181.32 1sqp h MET 208 N 0.91 -0.24 -0.57 3.15 4.05 -0.42 0.39 114.93 122.20 1sqp h MET 208 Ca 0.27 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.73 1sqp h MET 208 Cb -0.05 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1sqp h MET 208 CO -0.08 -0.16 0.35 -0.07 0.23 0.00 0.00 176.91 177.18 1sqp h LEU 209 N -0.25 0.58 -1.00 3.39 3.38 -0.76 0.17 115.31 120.82 1sqp h LEU 209 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1sqp h LEU 209 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1sqp h LEU 209 CO -0.10 0.41 -0.11 -0.07 0.09 0.00 0.00 178.44 178.67 1sqp h LEU 210 N 0.70 0.58 -0.10 1.67 3.38 -0.43 -0.53 115.31 120.58 1sqp h LEU 210 Ca 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1sqp h LEU 210 Cb -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sqp h LEU 210 CO -0.09 0.73 -0.03 0.24 0.09 0.00 0.00 178.44 179.38 1sqp h MET 211 N 0.55 0.20 -0.65 1.13 2.86 0.24 -2.61 114.93 116.66 1sqp h MET 211 Ca 0.10 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1sqp h MET 211 Cb 0.51 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1sqp h MET 211 CO 0.03 0.53 0.21 0.52 1.06 0.00 0.00 176.91 179.26 1sqp h MET 212 N -0.14 0.97 -0.12 1.72 2.86 -0.56 0.39 114.93 120.06 1sqp h MET 212 Ca 0.02 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1sqp h MET 212 Cb 0.46 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1sqp h MET 212 CO 0.01 0.83 -0.05 0.78 1.06 0.00 0.00 176.91 179.54 1sqp h GLY 213 N 1.04 0.18 0.54 8.32 0.00 -1.10 0.35 103.07 112.40 1sqp h GLY 213 Ca 0.21 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 1sqp h GLY 213 CO -0.01 0.08 -0.99 -2.00 0.00 0.00 0.00 176.54 173.63 1sqp h LEU 214 N 0.17 0.37 -0.04 3.11 6.46 -0.99 -3.41 115.31 120.97 1sqp h LEU 214 Ca 0.04 -0.90 -0.06 0.00 -0.12 0.00 0.00 57.88 56.84 1sqp h LEU 214 Cb 0.20 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1sqp h LEU 214 CO 0.01 1.45 -0.22 -0.07 -0.62 0.00 0.00 178.44 178.99 1sqp h LEU 215 N -0.44 0.27 -0.42 2.25 3.38 0.14 -3.25 115.31 117.25 1sqp h LEU 215 Ca -0.20 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.18 1sqp h LEU 215 Cb 1.61 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1sqp h LEU 215 CO 0.08 0.88 0.05 -0.07 0.09 0.00 0.00 178.44 179.47 1sqp h LEU 216 N -0.33 -0.07 -1.12 1.67 3.38 -0.54 -0.31 115.31 117.99 1sqp h LEU 216 Ca -0.01 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1sqp h LEU 216 Cb 0.87 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1sqp h LEU 216 CO 0.04 0.00 -0.13 -0.65 0.09 0.00 0.00 178.44 177.80 1sqp h PRO 217 N 0.17 0.46 -0.24 1.13 0.11 -1.77 -2.54 132.00 129.32 1sqp h PRO 217 Ca 0.20 -0.13 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 1sqp h PRO 217 Cb 0.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1sqp h PRO 217 CO -0.30 0.59 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.60 1sqp h LEU 218 N 0.43 0.78 -0.42 2.35 3.38 -1.46 0.11 115.31 120.48 1sqp h LEU 218 Ca 0.08 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1sqp h LEU 218 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sqp h LEU 218 CO 0.03 1.17 -0.06 0.58 0.09 0.00 0.00 178.44 180.24 1sqp h VAL 219 N 0.43 1.27 -0.54 1.22 2.07 -1.11 -1.71 116.25 117.88 1sqp h VAL 219 Ca 0.02 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1sqp h VAL 219 Cb 1.02 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1sqp h VAL 219 CO 0.09 0.38 0.20 0.22 0.02 0.00 0.00 177.57 178.49 1sqp h TYR 220 N 0.61 0.36 -0.87 1.57 3.20 -1.35 0.15 116.97 120.65 1sqp h TYR 220 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1sqp h TYR 220 Cb 0.58 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1sqp h TYR 220 CO 0.05 0.12 0.53 0.00 -1.64 0.00 0.00 178.16 177.21 1sqp h ALA 221 N 1.36 1.28 -0.25 1.82 0.00 -0.88 0.22 119.26 122.81 1sqp h ALA 221 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sqp h ALA 221 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sqp h ALA 221 CO -0.26 0.62 0.09 0.52 0.00 0.00 0.00 179.25 180.23 1sqp h MET 222 N 1.20 0.37 0.43 0.00 2.86 -0.44 -2.44 114.93 116.91 1sqp h MET 222 Ca 0.31 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1sqp h MET 222 Cb -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1sqp h MET 222 CO -0.06 0.42 -0.24 -0.22 1.06 0.00 0.00 176.91 177.86 1sqp h LYS 223 N 0.24 -0.61 -0.30 1.72 3.11 -0.31 -2.69 116.57 117.73 1sqp h LYS 223 Ca 0.08 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.02 1sqp h LYS 223 Cb 0.19 0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.51 1sqp h LYS 223 CO -0.01 -0.41 -0.00 0.00 -2.81 0.00 0.00 179.45 176.22 1sqp h ARG 224 N -0.63 0.08 -0.52 1.90 3.08 -0.53 0.25 114.38 118.01 1sqp h ARG 224 Ca -0.05 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1sqp h ARG 224 Cb 0.51 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1sqp h ARG 224 CO 0.06 0.06 0.31 1.25 -1.07 0.00 0.00 179.97 180.58 1sqp h HIS 225 N 0.09 0.58 -0.52 3.04 -0.00 -1.47 0.58 115.15 117.44 1sqp h HIS 225 Ca 0.15 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1sqp h HIS 225 Cb 0.19 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1sqp h HIS 225 CO -0.23 0.33 0.30 0.87 -0.00 0.00 0.00 177.93 179.21 1sqp h LYS 226 N 0.62 0.71 0.00 5.26 1.79 -1.09 -2.58 116.57 121.29 1sqp h LYS 226 Ca 0.21 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1sqp h LYS 226 Cb 0.02 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1sqp h LYS 226 CO -0.09 0.53 0.00 0.91 -1.08 0.00 0.00 179.45 179.72 1sqp n TRP 227 N -4.66 0.92 0.09 -1.35 7.02 0.83 -3.74 117.44 116.55 1sqp n TRP 227 Ca 0.03 0.30 0.04 0.00 -1.02 0.00 0.00 57.50 56.85 1sqp n TRP 227 Cb 0.07 -0.99 0.45 0.00 -2.42 0.00 0.00 31.31 28.41 1sqp n TRP 227 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sqp h SER 228 N 0.00 0.29 -0.99 -0.99 4.64 0.54 0.51 113.55 117.55 1sqp h SER 228 Ca 0.00 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1sqp h SER 228 Cb 0.58 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 1sqp h SER 228 CO 0.00 0.30 0.64 0.58 -0.87 0.00 0.00 176.83 177.48 1sqp h VAL 229 N 0.33 1.05 0.13 0.95 2.07 -1.72 -1.80 116.25 117.27 1sqp h VAL 229 Ca 0.08 -0.38 -0.29 0.00 0.82 0.00 0.00 66.70 66.93 1sqp h VAL 229 Cb 0.12 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1sqp h VAL 229 CO -0.01 0.20 -1.36 -0.07 0.02 0.00 0.00 177.57 176.36 1sqp h LEU 230 N 1.12 0.44 0.00 2.57 3.38 -1.46 -3.26 115.31 118.10 1sqp h LEU 230 Ca 0.44 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sqp h LEU 230 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sqp h LEU 230 CO -0.18 1.41 0.00 0.29 0.09 0.00 0.00 178.44 180.05 1sqp n LYS 231 N -3.52 0.03 0.00 1.13 4.76 0.04 -2.95 118.16 117.66 1sqp n LYS 231 Ca -0.12 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1sqp n LYS 231 Cb 1.04 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 1sqp n LYS 231 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1sqp n SER 232 N -1.48 0.92 -4.72 4.39 3.41 -0.75 -5.05 113.62 110.35 1sqp n SER 232 Ca 0.05 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.21 1sqp n SER 232 Cb 0.23 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1sqp n SER 232 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1sqp n ARG 233 N -0.01 2.48 -4.50 4.33 1.85 -1.15 -4.99 116.66 114.66 1sqp n ARG 233 Ca 0.00 0.88 -0.34 0.00 -1.00 0.00 0.00 57.85 57.40 1sqp n ARG 233 Cb 0.03 -2.62 -0.12 0.00 -1.05 0.00 0.00 32.46 28.70 1sqp n ARG 233 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sqp s LYS 234 N -0.41 3.48 0.05 2.89 -0.14 -1.26 -5.08 119.74 119.26 1sqp s LYS 234 Ca 0.66 -0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 54.71 1sqp s LYS 234 Cb -0.55 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1sqp s LYS 234 CO 0.48 0.31 0.22 -0.51 -0.76 0.00 0.00 175.35 175.09 1sqp s LEU 235 N 0.16 4.36 -0.07 3.17 1.43 -1.26 -5.12 118.68 121.34 1sqp s LEU 235 Ca -0.03 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1sqp s LEU 235 Cb -0.14 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.21 1sqp s LEU 235 CO 0.03 0.19 0.17 0.00 0.23 0.00 0.00 176.35 176.97 1sqp s ALA 236 N -1.47 -0.38 -0.28 4.21 0.00 -1.26 -5.15 121.76 117.42 1sqp s ALA 236 Ca 0.33 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1sqp s ALA 236 Cb -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1sqp s ALA 236 CO 0.25 -0.13 0.17 -0.47 0.00 0.00 0.00 175.76 175.59 1sqp s TYR 237 N 0.72 3.20 -0.65 0.00 5.04 -1.26 -5.05 117.35 119.34 1sqp s TYR 237 Ca -0.05 -0.06 0.06 0.00 -2.44 0.00 0.00 57.07 54.58 1sqp s TYR 237 Cb -0.07 -2.37 0.21 0.00 0.35 0.00 0.00 41.96 40.09 1sqp s TYR 237 CO -0.04 -0.24 0.62 0.54 -1.34 0.00 0.00 175.55 175.09 1sqp n ARG 238 N 5.04 2.07 -1.66 4.97 1.74 -1.26 -5.10 116.66 122.46 1sqp n ARG 238 Ca -0.14 -4.48 -0.34 0.00 -0.77 0.00 0.00 57.85 52.12 1sqp n ARG 238 Cb 0.51 -2.21 0.07 0.00 -1.02 0.00 0.00 32.46 29.81 1sqp n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqp s PRO 239 N -1.90 2.53 0.69 5.56 0.04 -1.26 -5.01 135.00 135.65 1sqp s PRO 239 Ca 0.33 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1sqp s PRO 239 Cb 0.06 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1sqp s PRO 239 CO -0.09 -1.51 1.07 -1.25 0.04 0.00 0.00 177.00 175.26 1sqp s PRO 240 N -3.86 3.00 0.00 0.56 0.04 -1.26 -5.34 135.00 128.14 1sqp s PRO 240 Ca 0.72 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1sqp s PRO 240 Cb -0.26 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1sqp s PRO 240 CO 0.41 -0.97 0.00 1.63 0.04 0.00 0.00 177.00 178.11