#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp h HIS 2 N 0.00 0.00 0.00 0.66 2.07 -2.09 -2.57 115.15 113.22 1sqp h HIS 2 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sqp h HIS 2 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1sqp h HIS 2 CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 1sqp n THR 3 N -2.66 0.69 0.16 6.12 -2.24 -1.26 -2.57 114.28 112.51 1sqp n THR 3 Ca 0.00 0.17 0.04 0.00 -2.27 0.00 0.00 64.05 62.00 1sqp n THR 3 Cb 0.20 -0.85 0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1sqp n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sqp h ASP 4 N 0.00 0.00 -1.09 3.42 3.32 -2.00 -3.44 116.42 116.62 1sqp h ASP 4 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1sqp h ASP 4 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1sqp h ASP 4 CO 0.00 0.41 0.87 -0.63 -1.72 0.00 0.00 179.24 178.17 1sqp s ILE 5 N -3.04 3.23 0.11 0.35 1.01 -1.06 -4.96 121.20 116.84 1sqp s ILE 5 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1sqp s ILE 5 Cb 0.07 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1sqp s ILE 5 CO 0.73 -0.53 0.35 -0.54 0.00 0.00 0.00 174.94 174.95 1sqp s LYS 6 N 7.73 3.62 0.02 2.79 1.02 -1.26 -5.09 119.74 128.56 1sqp s LYS 6 Ca 0.80 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 1sqp s LYS 6 Cb -0.12 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1sqp s LYS 6 CO 0.11 0.52 1.15 0.08 -0.92 0.00 0.00 175.35 176.29 1sqp s VAL 7 N -1.55 4.28 0.50 3.17 1.01 -1.26 -5.01 120.40 121.54 1sqp s VAL 7 Ca 0.37 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.78 1sqp s VAL 7 Cb -0.13 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1sqp s VAL 7 CO 0.23 0.10 0.83 -2.65 0.00 0.00 0.00 175.10 173.60 1sqp n PRO 8 N 4.22 0.94 -2.08 2.72 -0.02 -1.26 -4.91 135.00 134.61 1sqp n PRO 8 Ca 0.09 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1sqp n PRO 8 Cb 0.47 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1sqp n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqp s ASP 9 N -1.00 6.74 0.00 2.55 2.15 -1.26 -4.93 116.67 120.92 1sqp s ASP 9 Ca 0.68 2.41 0.14 0.00 0.43 0.00 0.00 52.55 56.21 1sqp s ASP 9 Cb -0.50 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.54 1sqp s ASP 9 CO 0.54 -0.72 0.76 0.49 -0.17 0.00 0.00 175.17 176.07 1sqp n PHE 10 N 4.13 0.00 -0.25 -5.34 3.72 -1.26 -4.67 117.46 113.78 1sqp n PHE 10 Ca 0.13 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.69 1sqp n PHE 10 Cb 0.41 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.26 1sqp n PHE 10 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sqp n SER 11 N -0.15 0.06 -0.19 4.37 7.64 -1.26 0.65 113.62 124.74 1sqp n SER 11 Ca 0.06 1.26 0.22 0.00 1.01 0.00 0.00 58.87 61.42 1sqp n SER 11 Cb 0.29 -0.52 0.60 0.00 -1.01 0.00 0.00 64.21 63.56 1sqp n SER 11 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1sqp h ASP 12 N 0.00 0.22 0.00 6.43 3.58 -2.02 -2.86 116.42 121.77 1sqp h ASP 12 Ca 0.53 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1sqp h ASP 12 Cb 1.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1sqp h ASP 12 CO -0.65 0.09 -1.48 -1.22 -2.88 0.00 0.00 179.24 173.09 1sqp n TYR 13 N -4.42 0.00 -2.12 0.28 4.01 0.21 -5.04 117.16 110.08 1sqp n TYR 13 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 1sqp n TYR 13 Cb 0.77 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.50 1sqp n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sqp s ARG 14 N -2.88 4.31 0.35 -0.72 0.52 -0.77 -4.98 118.95 114.79 1sqp s ARG 14 Ca -0.03 2.15 -0.28 0.00 -0.52 0.00 0.00 55.73 57.04 1sqp s ARG 14 Cb 0.09 -3.20 -0.12 0.00 0.52 0.00 0.00 34.95 32.25 1sqp s ARG 14 CO 0.59 -0.41 1.35 0.54 0.02 0.00 0.00 175.30 177.39 1sqp n ARG 15 N 3.37 2.29 0.27 3.54 1.74 -1.26 -4.91 116.66 121.68 1sqp n ARG 15 Ca 0.10 0.80 0.11 0.00 -0.77 0.00 0.00 57.85 58.09 1sqp n ARG 15 Cb 0.42 -2.43 0.72 0.00 -1.02 0.00 0.00 32.46 30.15 1sqp n ARG 15 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1sqp h PRO 16 N 2.67 0.00 0.00 5.56 0.11 -1.97 -0.93 132.00 137.44 1sqp h PRO 16 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sqp h PRO 16 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sqp h PRO 16 CO 0.63 0.06 0.00 0.93 -0.21 0.00 0.00 178.00 179.41 1sqp h GLU 17 N 0.00 0.00 -1.88 1.05 3.07 -1.99 -3.18 114.58 111.65 1sqp h GLU 17 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1sqp h GLU 17 Cb 0.12 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.63 1sqp h GLU 17 CO 0.01 0.00 -1.03 1.33 -1.40 0.00 0.00 179.01 177.92 1sqp n VAL 18 N -2.75 1.00 0.00 3.13 0.24 -0.35 -4.79 118.33 114.80 1sqp n VAL 18 Ca -0.00 -4.62 0.06 0.00 -2.04 0.00 0.00 64.34 57.73 1sqp n VAL 18 Cb 0.17 -0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 31.98 1sqp n VAL 18 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sqp n LEU 19 N 0.04 0.01 -4.59 1.34 4.77 -1.20 -4.63 117.00 112.74 1sqp n LEU 19 Ca 0.25 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 1sqp n LEU 19 Cb 0.62 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1sqp n LEU 19 CO 0.26 0.00 0.44 -0.62 -1.33 0.00 0.00 177.39 176.15 1sqp s ASP 20 N -3.33 6.50 0.51 -1.43 -1.08 -1.26 -4.94 116.67 111.64 1sqp s ASP 20 Ca -0.04 0.35 0.22 0.00 -0.52 0.00 0.00 52.55 52.56 1sqp s ASP 20 Cb 0.08 -2.35 1.35 0.00 -1.46 0.00 0.00 42.92 40.54 1sqp s ASP 20 CO 0.49 -0.58 2.09 0.28 0.52 0.00 0.00 175.17 177.96 1sqp h SER 21 N 8.32 0.00 0.15 -0.34 0.02 -2.01 -2.13 113.55 117.56 1sqp h SER 21 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1sqp h SER 21 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1sqp h SER 21 CO 0.84 0.11 -0.10 0.35 -1.14 0.00 0.00 176.83 176.89 1sqp n THR 22 N -3.99 0.00 -4.12 -2.27 -2.24 -1.26 -4.89 114.28 95.51 1sqp n THR 22 Ca -0.02 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1sqp n THR 22 Cb 0.20 0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1sqp n THR 22 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sqp s LYS 23 N -2.27 3.72 0.15 -0.78 2.20 -0.80 -5.08 119.74 116.88 1sqp s LYS 23 Ca 0.33 -0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 1sqp s LYS 23 Cb 0.20 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.34 1sqp s LYS 23 CO 0.43 0.38 1.42 0.45 -0.36 0.00 0.00 175.35 177.67 1sqp s SER 24 N 0.04 6.77 0.31 1.43 0.15 -1.26 -4.88 113.70 116.26 1sqp s SER 24 Ca 0.05 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.20 1sqp s SER 24 Cb -0.12 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.09 1sqp s SER 24 CO 0.01 -0.67 1.72 0.28 1.20 0.00 0.00 173.24 175.77 1sqp h SER 25 N 6.47 0.18 -0.99 5.45 0.02 -1.93 -3.23 113.55 119.52 1sqp h SER 25 Ca -0.43 -0.07 0.18 0.00 -0.84 0.00 0.00 61.79 60.63 1sqp h SER 25 Cb 1.21 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 1sqp h SER 25 CO 0.86 0.58 0.61 0.11 -1.14 0.00 0.00 176.83 177.85 1sqp h LYS 26 N 0.14 0.72 -1.01 3.45 1.57 -1.99 -0.18 116.57 119.28 1sqp h LYS 26 Ca 0.01 -0.04 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 1sqp h LYS 26 Cb 0.81 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.84 1sqp h LYS 26 CO 0.06 0.48 0.60 0.93 -0.57 0.00 0.00 179.45 180.95 1sqp h GLU 27 N 0.75 0.63 -0.01 3.15 5.08 -1.97 -3.04 114.58 119.17 1sqp h GLU 27 Ca 0.55 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1sqp h GLU 27 Cb 0.88 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1sqp h GLU 27 CO -0.33 0.42 -0.16 -1.13 -1.00 0.00 0.00 179.01 176.80 1sqp n SER 28 N -4.83 1.47 -0.29 1.42 3.41 -0.45 -4.62 113.62 109.72 1sqp n SER 28 Ca 0.26 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1sqp n SER 28 Cb 0.68 0.34 0.13 0.00 -0.26 0.00 0.00 64.21 65.10 1sqp n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sqp h SER 29 N 1.51 0.76 0.49 4.04 4.64 -0.96 -0.88 113.55 123.15 1sqp h SER 29 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1sqp h SER 29 Cb 0.40 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1sqp h SER 29 CO 0.00 0.48 -0.32 -0.08 -0.87 0.00 0.00 176.83 176.04 1sqp h GLU 30 N 0.89 -0.75 -0.41 4.77 4.57 -1.82 -0.25 114.58 121.59 1sqp h GLU 30 Ca 0.36 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 1sqp h GLU 30 Cb 0.19 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1sqp h GLU 30 CO -0.18 -0.50 0.11 0.00 -1.18 0.00 0.00 179.01 177.26 1sqp h ALA 31 N -0.34 1.44 0.00 2.92 0.00 -1.82 -1.02 119.26 120.43 1sqp h ALA 31 Ca -0.05 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 1sqp h ALA 31 Cb 0.65 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1sqp h ALA 31 CO 0.04 0.41 -0.89 0.00 0.00 0.00 0.00 179.25 178.81 1sqp h ARG 32 N 0.59 0.60 -0.43 0.00 3.08 -0.82 -2.81 114.38 114.59 1sqp h ARG 32 Ca 0.14 -0.65 -0.12 0.00 0.07 0.00 0.00 59.98 59.42 1sqp h ARG 32 Cb 0.20 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1sqp h ARG 32 CO -0.01 1.25 -0.19 0.87 -1.07 0.00 0.00 179.97 180.82 1sqp h LYS 33 N 0.22 0.85 -0.46 0.04 1.57 -1.03 -3.20 116.57 114.55 1sqp h LYS 33 Ca -0.11 -0.33 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1sqp h LYS 33 Cb 1.57 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.74 1sqp h LYS 33 CO 0.18 0.97 -0.31 0.78 -0.57 0.00 0.00 179.45 180.49 1sqp h GLY 34 N 0.95 -0.15 0.83 3.86 0.00 -1.15 -0.27 103.07 107.14 1sqp h GLY 34 Ca 0.11 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1sqp h GLY 34 CO 0.06 -0.21 -0.24 -2.75 0.00 0.00 0.00 176.54 173.40 1sqp h PHE 35 N -0.21 -0.63 -0.00 5.60 3.57 -1.49 0.31 116.94 124.08 1sqp h PHE 35 Ca 0.20 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1sqp h PHE 35 Cb 0.53 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1sqp h PHE 35 CO -0.55 -0.36 -0.28 0.77 -2.23 0.00 0.00 178.31 175.65 1sqp h SER 36 N -0.57 0.01 1.00 0.41 0.02 -1.54 -1.40 113.55 111.49 1sqp h SER 36 Ca -0.03 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 1sqp h SER 36 Cb 0.49 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1sqp h SER 36 CO 0.01 0.29 -1.03 1.88 -1.14 0.00 0.00 176.83 176.83 1sqp h TYR 37 N 0.01 0.00 -0.52 3.45 0.05 -0.69 -3.00 116.97 116.27 1sqp h TYR 37 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 1sqp h TYR 37 Cb 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 1sqp h TYR 37 CO 0.00 0.88 0.07 1.25 -1.05 0.00 0.00 178.16 179.31 1sqp h LEU 38 N 0.00 0.83 -0.49 3.88 5.85 0.19 -0.08 115.31 125.48 1sqp h LEU 38 Ca -0.06 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1sqp h LEU 38 Cb 1.72 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 1sqp h LEU 38 CO 0.10 0.89 0.22 0.58 -0.34 0.00 0.00 178.44 179.90 1sqp h VAL 39 N 0.74 0.91 -0.18 1.05 2.07 -1.32 0.54 116.25 120.07 1sqp h VAL 39 Ca 0.16 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1sqp h VAL 39 Cb 0.42 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1sqp h VAL 39 CO 0.01 0.08 0.02 0.74 0.02 0.00 0.00 177.57 178.44 1sqp h THR 40 N 0.44 1.23 -0.50 2.57 2.02 -1.41 -0.47 112.91 116.79 1sqp h THR 40 Ca 0.22 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1sqp h THR 40 Cb 0.17 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1sqp h THR 40 CO -0.18 0.23 0.32 0.00 0.37 0.00 0.00 175.52 176.26 1sqp h ALA 41 N 0.81 0.64 -0.90 6.16 0.00 -0.58 -1.17 119.26 124.22 1sqp h ALA 41 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sqp h ALA 41 Cb 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sqp h ALA 41 CO 0.01 0.06 0.50 1.15 0.00 0.00 0.00 179.25 180.96 1sqp h THR 42 N 0.66 1.26 0.34 0.00 2.02 -0.84 -1.21 112.91 115.14 1sqp h THR 42 Ca 0.19 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1sqp h THR 42 Cb -0.06 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1sqp h THR 42 CO -0.05 0.29 -0.16 0.74 0.37 0.00 0.00 175.52 176.71 1sqp h THR 43 N 1.26 0.67 -0.69 3.16 2.02 -0.57 -1.07 112.91 117.71 1sqp h THR 43 Ca 0.32 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1sqp h THR 43 Cb 0.02 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1sqp h THR 43 CO -0.05 0.02 0.43 0.74 0.37 0.00 0.00 175.52 177.03 1sqp h THR 44 N -0.51 1.09 -0.67 3.16 2.02 -1.13 0.11 112.91 117.00 1sqp h THR 44 Ca -0.05 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1sqp h THR 44 Cb 0.38 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1sqp h THR 44 CO 0.08 0.15 0.33 0.58 0.37 0.00 0.00 175.52 177.03 1sqp h VAL 45 N 0.84 0.88 -0.25 3.16 2.07 -1.10 0.54 116.25 122.38 1sqp h VAL 45 Ca 0.28 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1sqp h VAL 45 Cb 0.02 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1sqp h VAL 45 CO -0.11 0.11 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 1sqp h GLY 46 N 0.59 0.48 1.00 2.17 0.00 -0.33 -2.61 103.07 104.37 1sqp h GLY 46 Ca 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1sqp h GLY 46 CO -0.24 0.33 0.42 -2.08 0.00 0.00 0.00 176.54 174.96 1sqp h VAL 47 N 0.22 1.20 -0.51 4.60 2.07 -0.35 -2.91 116.25 120.56 1sqp h VAL 47 Ca 0.07 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1sqp h VAL 47 Cb 0.41 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1sqp h VAL 47 CO 0.01 0.21 0.17 0.00 0.02 0.00 0.00 177.57 177.99 1sqp h ALA 48 N 1.22 0.63 0.11 1.67 0.00 0.20 0.77 119.26 123.85 1sqp h ALA 48 Ca 0.25 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1sqp h ALA 48 Cb -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1sqp h ALA 48 CO -0.05 -0.22 -0.24 -0.92 0.00 0.00 0.00 179.25 177.82 1sqp h TYR 49 N 0.35 -0.63 0.10 0.00 5.03 -1.31 0.12 116.97 120.63 1sqp h TYR 49 Ca 0.25 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1sqp h TYR 49 Cb 0.28 0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1sqp h TYR 49 CO -0.17 -0.33 -0.05 0.00 -1.32 0.00 0.00 178.16 176.29 1sqp h ALA 50 N 0.34 -0.14 -0.74 1.82 0.00 -1.26 -1.59 119.26 117.69 1sqp h ALA 50 Ca 0.03 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1sqp h ALA 50 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1sqp h ALA 50 CO -0.14 -0.50 0.49 0.00 0.00 0.00 0.00 179.25 179.10 1sqp h ALA 51 N 0.59 1.59 0.67 0.00 0.00 -0.77 0.14 119.26 121.48 1sqp h ALA 51 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sqp h ALA 51 Cb 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sqp h ALA 51 CO 0.02 0.33 -0.32 -0.22 0.00 0.00 0.00 179.25 179.06 1sqp h LYS 52 N 0.88 -0.87 -1.01 0.00 3.64 -0.59 0.03 116.57 118.65 1sqp h LYS 52 Ca 0.30 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1sqp h LYS 52 Cb 0.09 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1sqp h LYS 52 CO -0.09 -0.57 0.66 -0.91 -2.27 0.00 0.00 179.45 176.27 1sqp h ASN 53 N -0.93 1.08 -0.24 4.20 2.35 -0.18 0.61 115.58 122.47 1sqp h ASN 53 Ca -0.09 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 1sqp h ASN 53 Cb 0.70 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1sqp h ASN 53 CO 0.15 0.72 -0.19 0.58 -1.65 0.00 0.00 177.43 177.04 1sqp h VAL 54 N 1.24 1.31 -0.57 2.81 2.07 -0.75 -1.45 116.25 120.91 1sqp h VAL 54 Ca 0.41 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1sqp h VAL 54 Cb 0.07 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1sqp h VAL 54 CO -0.14 0.41 0.33 0.58 0.02 0.00 0.00 177.57 178.77 1sqp h VAL 55 N 0.26 1.18 -0.30 2.57 2.07 0.00 -1.92 116.25 120.11 1sqp h VAL 55 Ca 0.04 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1sqp h VAL 55 Cb 0.73 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1sqp h VAL 55 CO 0.05 0.19 0.14 0.28 0.02 0.00 0.00 177.57 178.25 1sqp h SER 56 N 0.76 0.40 -0.28 0.57 0.02 0.24 -0.23 113.55 115.04 1sqp h SER 56 Ca 0.20 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1sqp h SER 56 Cb 0.01 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1sqp h SER 56 CO -0.04 0.42 -0.06 1.56 -1.14 0.00 0.00 176.83 177.57 1sqp h GLN 57 N 0.35 0.65 -0.12 3.45 4.20 -1.21 0.18 115.11 122.61 1sqp h GLN 57 Ca 0.10 -0.18 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 1sqp h GLN 57 Cb 0.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1sqp h GLN 57 CO -0.01 0.72 -0.77 0.74 -0.67 0.00 0.00 178.83 178.84 1sqp h PHE 58 N 0.61 0.87 -0.43 2.96 -1.00 -1.04 -2.82 116.94 116.10 1sqp h PHE 58 Ca 0.12 -0.39 -0.04 0.00 2.81 0.00 0.00 57.97 60.46 1sqp h PHE 58 Cb 0.48 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1sqp h PHE 58 CO 0.02 1.19 0.10 0.28 -1.61 0.00 0.00 178.31 178.29 1sqp h VAL 59 N 0.44 1.23 0.00 -0.55 2.07 -0.70 -2.97 116.25 115.76 1sqp h VAL 59 Ca -0.05 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1sqp h VAL 59 Cb 1.38 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1sqp h VAL 59 CO 0.15 0.28 -0.00 -1.28 0.02 0.00 0.00 177.57 176.74 1sqp h SER 60 N 0.56 0.00 0.60 0.57 0.87 -0.66 -2.32 113.55 113.16 1sqp h SER 60 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1sqp h SER 60 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1sqp h SER 60 CO 0.00 0.00 -0.01 0.77 -0.53 0.00 0.00 176.83 177.06 1sqp h SER 61 N 0.00 0.00 0.52 6.23 4.64 -1.33 -2.15 113.55 121.46 1sqp h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sqp h SER 61 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1sqp h SER 61 CO 0.00 0.01 -1.35 0.23 -0.87 0.00 0.00 176.83 174.86 1sqp n MET 62 N -3.13 0.55 0.13 4.77 2.81 -0.87 -4.76 117.12 116.62 1sqp n MET 62 Ca -0.01 -0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.73 1sqp n MET 62 Cb 0.22 -1.67 -0.08 0.00 -0.71 0.00 0.00 33.22 30.98 1sqp n MET 62 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1sqp h SER 63 N 0.00 -1.25 0.00 7.83 0.02 -1.43 -3.45 113.55 115.27 1sqp h SER 63 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1sqp h SER 63 Cb 0.94 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1sqp h SER 63 CO 0.00 -0.48 0.00 0.00 -1.14 0.00 0.00 176.83 175.21 1sqp n ALA 64 N -2.80 0.00 -1.77 3.77 0.00 -1.26 -5.16 120.51 113.29 1sqp n ALA 64 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1sqp n ALA 64 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1sqp n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sqp s SER 65 N 0.00 6.35 0.52 0.00 0.15 -1.26 -4.79 113.70 114.67 1sqp s SER 65 Ca 0.00 3.02 0.31 0.00 0.70 0.00 0.00 55.95 59.97 1sqp s SER 65 Cb 0.00 -2.65 1.44 0.00 -1.71 0.00 0.00 66.02 63.10 1sqp s SER 65 CO 0.00 -0.90 1.87 0.00 1.20 0.00 0.00 173.24 175.41 1sqp h ALA 66 N 3.82 2.81 0.00 5.45 0.00 -2.00 0.74 119.26 130.08 1sqp h ALA 66 Ca -0.49 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1sqp h ALA 66 Cb 1.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1sqp h ALA 66 CO 0.71 -1.10 -0.26 0.38 0.00 0.00 0.00 179.25 178.98 1sqp h ASP 67 N 0.05 0.00 0.24 0.00 3.04 -2.02 -2.61 116.42 115.13 1sqp h ASP 67 Ca 0.46 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.92 1sqp h ASP 67 Cb 1.76 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 40.00 1sqp h ASP 67 CO -0.04 0.26 -2.01 0.52 -2.04 0.00 0.00 179.24 175.94 1sqp n VAL 68 N -3.91 1.60 0.25 4.15 0.31 0.12 -4.35 118.33 116.50 1sqp n VAL 68 Ca -0.02 -0.74 0.08 0.00 -0.01 0.00 0.00 64.34 63.65 1sqp n VAL 68 Cb 0.34 -1.16 0.62 0.00 -0.91 0.00 0.00 33.84 32.74 1sqp n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1sqp h LEU 69 N 0.02 0.00 -0.46 7.52 5.85 -1.11 -2.83 115.31 124.30 1sqp h LEU 69 Ca -0.41 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.14 1sqp h LEU 69 Cb 2.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1sqp h LEU 69 CO 0.05 0.11 -0.74 0.00 -0.34 0.00 0.00 178.44 177.52 1sqp h ALA 70 N 1.89 0.67 -0.27 1.25 0.00 -1.66 -3.21 119.26 117.94 1sqp h ALA 70 Ca -0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 1sqp h ALA 70 Cb 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1sqp h ALA 70 CO 0.01 0.81 0.20 -1.33 0.00 0.00 0.00 179.25 178.95 1sqp n MET 71 N -3.77 1.38 -0.57 0.00 2.81 -1.07 -4.10 117.12 111.80 1sqp n MET 71 Ca -0.03 -0.83 0.06 0.00 -1.81 0.00 0.00 57.70 55.08 1sqp n MET 71 Cb 0.71 -1.33 0.26 0.00 -0.71 0.00 0.00 33.22 32.16 1sqp n MET 71 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1sqp n SER 72 N 0.38 3.87 0.00 7.83 3.41 -1.21 -3.78 113.62 124.12 1sqp n SER 72 Ca 0.16 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1sqp n SER 72 Cb 0.70 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1sqp n SER 72 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sqp n LYS 73 N -0.51 0.00 -1.49 4.33 5.02 -1.26 -4.66 118.16 119.58 1sqp n LYS 73 Ca 0.25 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.97 1sqp n LYS 73 Cb 0.97 -0.21 -0.07 0.00 -0.02 0.00 0.00 35.03 35.70 1sqp n LYS 73 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1sqp n ILE 74 N 0.00 0.32 -2.85 -0.18 0.13 -1.26 -3.47 119.36 112.04 1sqp n ILE 74 Ca 0.00 -0.08 -0.38 0.00 -1.10 0.00 0.00 62.75 61.19 1sqp n ILE 74 Cb 0.11 -0.08 -0.06 0.00 -0.84 0.00 0.00 39.64 38.77 1sqp n ILE 74 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1sqp s GLU 75 N -0.13 4.60 0.03 9.51 2.02 -1.26 -4.54 118.70 128.93 1sqp s GLU 75 Ca 0.86 1.27 0.08 0.00 0.02 0.00 0.00 54.97 57.20 1sqp s GLU 75 Cb -1.19 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.01 1sqp s GLU 75 CO 0.56 0.40 -0.21 0.42 0.02 0.00 0.00 175.26 176.45 1sqp s ILE 76 N -1.42 2.52 -0.14 -1.63 1.09 -1.20 -5.06 121.20 115.36 1sqp s ILE 76 Ca 0.44 -1.24 -0.20 0.00 -1.10 0.00 0.00 60.65 58.56 1sqp s ILE 76 Cb -0.21 -2.02 -0.03 0.00 -1.06 0.00 0.00 42.46 39.14 1sqp s ILE 76 CO 0.26 0.37 0.57 -0.54 -0.10 0.00 0.00 174.94 175.50 1sqp s LYS 77 N -1.28 4.31 0.42 2.79 1.02 -1.26 -3.30 119.74 122.43 1sqp s LYS 77 Ca 0.13 0.58 0.23 0.00 0.02 0.00 0.00 55.97 56.93 1sqp s LYS 77 Cb -0.10 -3.49 0.63 0.00 -0.52 0.00 0.00 37.83 34.34 1sqp s LYS 77 CO 0.03 -0.01 1.70 -0.07 -0.92 0.00 0.00 175.35 176.08 1sqp h LEU 78 N 7.28 0.00 -1.34 3.17 3.38 -1.80 -3.23 115.31 122.77 1sqp h LEU 78 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1sqp h LEU 78 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1sqp h LEU 78 CO 0.76 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.96 1sqp n SER 79 N -3.24 1.96 -0.06 -0.43 3.41 -1.25 -3.94 113.62 110.07 1sqp n SER 79 Ca 0.02 -2.03 -0.05 0.00 -0.26 0.00 0.00 58.87 56.55 1sqp n SER 79 Cb 0.51 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1sqp n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sqp n ASP 80 N 0.51 1.20 -4.66 4.04 8.00 -1.22 -4.96 116.55 119.47 1sqp n ASP 80 Ca 0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.21 1sqp n ASP 80 Cb 0.32 1.02 -0.06 0.00 -0.02 0.00 0.00 41.12 42.39 1sqp n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqp s ILE 81 N -2.50 4.99 1.04 0.53 1.01 -1.25 -5.09 121.20 119.93 1sqp s ILE 81 Ca -0.07 1.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.72 1sqp s ILE 81 Cb 0.06 -3.98 0.21 0.00 0.01 0.00 0.00 42.46 38.76 1sqp s ILE 81 CO 0.64 0.09 1.08 -2.84 0.00 0.00 0.00 174.94 173.90 1sqp s PRO 82 N 2.02 0.08 -0.17 2.79 0.02 -1.26 -4.97 135.00 133.51 1sqp s PRO 82 Ca 0.30 0.57 -0.29 0.00 0.02 0.00 0.00 61.00 61.61 1sqp s PRO 82 Cb -0.16 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1sqp s PRO 82 CO 0.10 -2.98 1.88 -2.00 -0.33 0.00 0.00 177.00 173.67 1sqp s GLU 83 N -4.85 3.64 0.00 5.54 2.12 -1.26 -3.49 118.70 120.39 1sqp s GLU 83 Ca 0.66 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.94 1sqp s GLU 83 Cb -0.20 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.02 1sqp s GLU 83 CO 0.59 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.22 1sqp n GLY 84 N 5.02 2.94 3.53 -1.50 0.00 -1.25 -5.05 105.19 108.87 1sqp n GLY 84 Ca 0.23 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1sqp n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqp s LYS 85 N 0.00 -1.14 0.01 1.61 3.01 -1.23 -4.33 119.74 117.68 1sqp s LYS 85 Ca 0.00 0.32 0.08 0.00 -1.01 0.00 0.00 55.97 55.36 1sqp s LYS 85 Cb 0.00 -1.57 -0.02 0.00 -1.01 0.00 0.00 37.83 35.23 1sqp s LYS 85 CO 0.00 -3.74 -0.24 -0.80 0.51 0.00 0.00 175.35 171.08 1sqp s ASN 86 N -3.30 2.81 0.03 2.83 -0.87 -1.26 -3.91 114.94 111.26 1sqp s ASN 86 Ca 0.68 -0.49 0.08 0.00 -1.57 0.00 0.00 52.86 51.56 1sqp s ASN 86 Cb -0.16 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.25 40.76 1sqp s ASN 86 CO 0.59 0.25 -0.23 -0.32 -2.57 0.00 0.00 177.10 174.83 1sqp s MET 87 N -0.89 2.00 -0.28 -0.60 1.75 -1.26 -5.09 119.30 114.94 1sqp s MET 87 Ca 0.09 -1.00 -0.11 0.00 -1.25 0.00 0.00 55.69 53.42 1sqp s MET 87 Cb -0.09 -2.09 -0.05 0.00 2.84 0.00 0.00 34.83 35.44 1sqp s MET 87 CO 0.01 0.54 0.18 0.00 -0.65 0.00 0.00 175.02 175.10 1sqp s ALA 88 N -0.81 3.50 -0.14 4.11 0.00 -1.26 -4.41 121.76 122.75 1sqp s ALA 88 Ca 0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1sqp s ALA 88 Cb -0.10 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.63 1sqp s ALA 88 CO 0.02 -0.56 0.30 0.12 0.00 0.00 0.00 175.76 175.65 1sqp s PHE 89 N 1.75 -0.48 -0.17 0.00 5.36 -1.25 -5.08 117.98 118.10 1sqp s PHE 89 Ca 0.07 1.05 -0.29 0.00 -0.96 0.00 0.00 56.93 56.80 1sqp s PHE 89 Cb -0.16 0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.58 1sqp s PHE 89 CO 0.10 -0.34 1.50 0.21 -1.46 0.00 0.00 175.22 175.24 1sqp s LYS 90 N 1.95 4.02 -0.04 10.12 2.20 -1.26 -2.97 119.74 133.76 1sqp s LYS 90 Ca -0.04 1.76 -0.01 0.00 -0.36 0.00 0.00 55.97 57.32 1sqp s LYS 90 Cb -0.11 -3.94 0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1sqp s LYS 90 CO -0.10 -1.01 0.04 -0.46 -0.36 0.00 0.00 175.35 173.47 1sqp s TRP 91 N 4.37 0.16 0.00 4.03 -0.00 -1.26 -4.83 118.94 121.42 1sqp s TRP 91 Ca 0.66 0.16 0.00 0.00 -0.00 0.00 0.00 56.10 56.92 1sqp s TRP 91 Cb -0.25 -0.48 0.00 0.00 -0.00 0.00 0.00 33.47 32.73 1sqp s TRP 91 CO 0.25 -0.19 0.00 0.54 -0.00 0.00 0.00 176.95 177.55 1sqp n ARG 92 N 5.02 0.00 0.00 5.86 1.74 -1.25 -2.08 116.66 125.96 1sqp n ARG 92 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1sqp n ARG 92 Cb 0.50 -3.88 0.00 0.00 -1.02 0.00 0.00 32.46 28.06 1sqp n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqp n GLY 93 N -2.00 2.93 3.61 -0.13 0.00 -1.26 -5.07 105.19 103.27 1sqp n GLY 93 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sqp n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqp s LYS 94 N -0.32 4.05 -0.28 1.61 -0.14 -0.88 -5.01 119.74 118.77 1sqp s LYS 94 Ca 0.00 0.24 -0.32 0.00 -1.36 0.00 0.00 55.97 54.53 1sqp s LYS 94 Cb 0.00 -3.65 -0.09 0.00 -1.68 0.00 0.00 37.83 32.41 1sqp s LYS 94 CO 0.00 -0.33 2.19 -2.30 -0.76 0.00 0.00 175.35 174.15 1sqp n PRO 95 N 5.48 1.53 -2.96 -1.68 -0.02 -1.26 -4.06 135.00 132.03 1sqp n PRO 95 Ca -0.05 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1sqp n PRO 95 Cb 0.50 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 1sqp n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sqp s LEU 96 N 7.61 4.52 -0.28 2.45 0.20 -1.16 -0.57 118.68 131.46 1sqp s LEU 96 Ca 1.05 1.57 0.03 0.00 0.69 0.00 0.00 54.13 57.47 1sqp s LEU 96 Cb -0.61 -3.29 0.07 0.00 -0.43 0.00 0.00 46.19 41.92 1sqp s LEU 96 CO 0.43 0.10 -0.06 -0.36 -0.29 0.00 0.00 176.35 176.17 1sqp s PHE 97 N -0.58 3.31 -0.35 5.38 0.08 -0.10 -3.91 117.98 121.81 1sqp s PHE 97 Ca 0.38 -2.46 -0.18 0.00 0.12 0.00 0.00 56.93 54.79 1sqp s PHE 97 Cb -0.22 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1sqp s PHE 97 CO 0.25 -0.89 0.51 0.08 -0.10 0.00 0.00 175.22 175.07 1sqp s VAL 98 N 1.08 5.02 -0.15 -0.44 1.01 -1.26 -1.67 120.40 123.98 1sqp s VAL 98 Ca -0.03 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1sqp s VAL 98 Cb -0.20 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1sqp s VAL 98 CO -0.06 -0.21 -0.09 -0.60 0.00 0.00 0.00 175.10 174.14 1sqp s ARG 99 N 2.38 3.47 -0.04 2.72 3.52 -0.48 -4.06 118.95 126.46 1sqp s ARG 99 Ca 0.18 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1sqp s ARG 99 Cb -0.15 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 1sqp s ARG 99 CO 0.13 0.16 0.32 -1.58 -0.81 0.00 0.00 175.30 173.52 1sqp s HIS 100 N 0.51 3.68 0.04 5.12 5.65 -1.25 -2.65 115.29 126.39 1sqp s HIS 100 Ca -0.07 0.83 0.08 0.00 0.25 0.00 0.00 55.06 56.15 1sqp s HIS 100 Cb -0.15 -2.16 -0.03 0.00 -1.18 0.00 0.00 32.58 29.06 1sqp s HIS 100 CO 0.04 0.67 -0.22 1.03 -0.65 0.00 0.00 174.74 175.61 1sqp s ARG 101 N -1.10 1.45 0.00 2.88 0.52 -1.22 -3.89 118.95 117.59 1sqp s ARG 101 Ca 0.21 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1sqp s ARG 101 Cb -0.15 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1sqp s ARG 101 CO 0.10 0.40 0.00 0.25 0.02 0.00 0.00 175.30 176.08 1sqp n THR 102 N 1.85 0.00 0.01 0.02 -2.24 -1.26 -4.87 114.28 107.78 1sqp n THR 102 Ca -0.17 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1sqp n THR 102 Cb 0.53 -0.11 0.23 0.00 -2.10 0.00 0.00 70.33 68.89 1sqp n THR 102 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sqp h LYS 103 N 0.00 0.50 -0.89 -0.78 1.79 -2.02 -2.79 116.57 112.40 1sqp h LYS 103 Ca 0.00 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1sqp h LYS 103 Cb 0.00 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.52 1sqp h LYS 103 CO 0.00 0.65 0.16 1.17 -1.08 0.00 0.00 179.45 180.35 1sqp n LYS 104 N -4.18 2.39 0.01 3.15 4.81 -1.26 -4.54 118.16 118.55 1sqp n LYS 104 Ca 0.00 -1.62 0.00 0.00 -0.87 0.00 0.00 58.31 55.82 1sqp n LYS 104 Cb 0.34 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1sqp n LYS 104 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sqp n GLU 105 N -0.00 0.00 -0.03 1.64 1.02 -1.16 -4.76 120.64 117.35 1sqp n GLU 105 Ca 0.23 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1sqp n GLU 105 Cb 0.93 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.29 1sqp n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sqp h ILE 106 N 0.00 1.15 -0.02 -3.67 2.04 -1.73 -2.78 117.51 112.50 1sqp h ILE 106 Ca 0.00 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1sqp h ILE 106 Cb 0.00 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1sqp h ILE 106 CO 0.00 0.13 -0.06 -0.90 0.00 0.00 0.00 178.15 177.33 1sqp n ASP 107 N -4.90 1.71 0.08 1.72 5.75 -1.26 -3.07 116.55 116.57 1sqp n ASP 107 Ca -0.05 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1sqp n ASP 107 Cb 0.11 0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.20 1sqp n ASP 107 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1sqp h GLN 108 N 2.59 0.00 0.00 0.11 5.75 -1.79 -3.24 115.11 118.53 1sqp h GLN 108 Ca 0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 1sqp h GLN 108 Cb 0.60 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1sqp h GLN 108 CO 0.00 0.44 -1.85 0.39 -2.65 0.00 0.00 178.83 175.16 1sqp n GLU 109 N -3.08 1.26 -0.08 1.69 -0.58 -1.06 -4.13 120.64 114.67 1sqp n GLU 109 Ca -0.04 -0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.50 1sqp n GLU 109 Cb 0.80 -1.36 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 1sqp n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sqp h ALA 110 N 0.94 0.48 -0.54 0.62 0.00 -1.72 -3.17 119.26 115.87 1sqp h ALA 110 Ca -0.24 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 1sqp h ALA 110 Cb 1.42 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1sqp h ALA 110 CO 0.01 0.68 0.19 0.00 0.00 0.00 0.00 179.25 180.14 1sqp n ALA 111 N -2.57 4.01 -2.76 0.00 0.00 -1.22 -4.91 120.51 113.06 1sqp n ALA 111 Ca -0.04 -1.67 -0.22 0.00 0.00 0.00 0.00 53.44 51.51 1sqp n ALA 111 Cb 0.63 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1sqp n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqp s VAL 112 N -2.32 4.09 -0.46 0.00 0.11 -1.20 -5.02 120.40 115.60 1sqp s VAL 112 Ca 0.40 -1.58 -0.41 0.00 -2.93 0.00 0.00 61.98 57.46 1sqp s VAL 112 Cb 0.32 -3.21 -0.18 0.00 -1.53 0.00 0.00 36.38 31.78 1sqp s VAL 112 CO 0.10 -0.35 1.80 -1.84 -3.33 0.00 0.00 175.10 171.48 1sqp n GLU 113 N -1.09 0.00 -0.08 1.54 0.00 -1.26 -4.92 120.64 114.84 1sqp n GLU 113 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.95 1sqp n GLU 113 Cb 0.58 -1.37 -0.10 0.00 0.00 0.00 0.00 31.44 30.55 1sqp n GLU 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sqp h VAL 114 N 5.83 1.20 -0.89 3.84 2.07 -1.93 -3.39 116.25 122.97 1sqp h VAL 114 Ca -0.19 -2.02 -0.62 0.00 0.82 0.00 0.00 66.70 64.69 1sqp h VAL 114 Cb 1.28 2.39 -0.34 0.00 -1.52 0.00 0.00 31.29 33.10 1sqp h VAL 114 CO 0.97 0.41 0.21 -1.20 0.02 0.00 0.00 177.57 177.97 1sqp n SER 115 N -4.59 6.48 -3.26 0.57 7.64 -1.26 -4.26 113.62 114.94 1sqp n SER 115 Ca -0.14 -3.77 -0.25 0.00 1.01 0.00 0.00 58.87 55.71 1sqp n SER 115 Cb 0.45 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1sqp n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqp n GLN 116 N -0.85 1.92 -2.07 1.43 1.13 -1.26 -5.07 117.38 112.60 1sqp n GLN 116 Ca 0.55 -4.13 -0.03 0.00 -1.94 0.00 0.00 57.00 51.45 1sqp n GLN 116 Cb 0.80 -1.88 -0.00 0.00 0.11 0.00 0.00 30.24 29.27 1sqp n GLN 116 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1sqp n LEU 117 N 0.81 0.00 -0.05 1.08 7.94 -1.26 -5.04 117.00 120.48 1sqp n LEU 117 Ca 0.27 -0.69 -0.12 0.00 -1.11 0.00 0.00 56.01 54.36 1sqp n LEU 117 Cb 0.47 0.69 -0.14 0.00 0.53 0.00 0.00 43.42 44.97 1sqp n LEU 117 CO 0.31 -0.17 -0.81 0.54 -1.11 0.00 0.00 177.39 176.15 1sqp n ARG 118 N -0.14 0.67 -4.00 1.96 5.12 -1.26 -4.81 116.66 114.20 1sqp n ARG 118 Ca -0.00 0.19 -0.31 0.00 -1.93 0.00 0.00 57.85 55.80 1sqp n ARG 118 Cb 0.15 -1.68 -0.15 0.00 -1.16 0.00 0.00 32.46 29.61 1sqp n ARG 118 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1sqp s ASP 119 N -6.08 4.35 -0.81 0.55 2.15 -1.26 -4.89 116.67 110.68 1sqp s ASP 119 Ca -0.11 -1.58 -0.25 0.00 0.43 0.00 0.00 52.55 51.04 1sqp s ASP 119 Cb 0.07 -1.43 -0.02 0.00 -0.30 0.00 0.00 42.92 41.24 1sqp s ASP 119 CO 0.80 -0.27 1.81 -2.16 -0.17 0.00 0.00 175.17 175.18 1sqp s PRO 120 N 1.16 2.75 -0.02 4.34 0.04 -1.26 -4.94 135.00 137.06 1sqp s PRO 120 Ca -0.01 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1sqp s PRO 120 Cb -0.19 -4.81 0.02 0.00 0.04 0.00 0.00 34.50 29.55 1sqp s PRO 120 CO -0.08 -2.94 0.00 -0.65 0.04 0.00 0.00 177.00 173.38 1sqp s GLN 121 N 6.68 0.16 0.58 4.56 -0.21 -1.26 -5.06 119.66 125.11 1sqp s GLN 121 Ca 0.64 0.06 -0.11 0.00 0.02 0.00 0.00 55.36 55.96 1sqp s GLN 121 Cb -0.08 -0.31 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 1sqp s GLN 121 CO 0.06 -0.09 0.98 -1.58 -2.12 0.00 0.00 175.29 172.55 1sqp s HIS 122 N 0.69 3.59 0.31 0.91 5.65 -1.26 -4.96 115.29 120.22 1sqp s HIS 122 Ca -0.06 1.25 0.08 0.00 0.25 0.00 0.00 55.06 56.58 1sqp s HIS 122 Cb -0.09 -2.67 0.52 0.00 -1.18 0.00 0.00 32.58 29.16 1sqp s HIS 122 CO -0.02 -0.57 1.73 0.22 -0.65 0.00 0.00 174.74 175.46 1sqp h ASP 123 N 0.00 0.17 -0.54 9.88 1.82 -1.91 -3.29 116.42 122.55 1sqp h ASP 123 Ca -0.45 -0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.05 1sqp h ASP 123 Cb 1.19 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 1sqp h ASP 123 CO 0.62 0.56 0.07 -0.07 -1.61 0.00 0.00 179.24 178.81 1sqp h LEU 124 N 0.14 0.88 -3.50 2.28 3.38 -1.95 -3.20 115.31 113.34 1sqp h LEU 124 Ca 0.01 -0.27 -0.37 0.00 0.09 0.00 0.00 57.88 57.34 1sqp h LEU 124 Cb 0.78 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 1sqp h LEU 124 CO 0.06 0.93 0.48 -1.84 0.09 0.00 0.00 178.44 178.15 1sqp n GLU 125 N -4.34 1.91 0.00 1.13 0.28 -1.24 -3.90 120.64 114.48 1sqp n GLU 125 Ca 0.02 -1.82 0.00 0.00 -0.16 0.00 0.00 57.16 55.20 1sqp n GLU 125 Cb 0.28 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1sqp n GLU 125 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1sqp n ARG 126 N 0.07 2.45 -4.77 3.44 0.63 -1.21 -4.88 116.66 112.40 1sqp n ARG 126 Ca 0.35 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 57.03 1sqp n ARG 126 Cb 0.67 -0.47 -0.15 0.00 0.45 0.00 0.00 32.46 32.96 1sqp n ARG 126 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1sqp s VAL 127 N -0.57 1.56 0.29 5.15 -7.23 -1.23 -5.04 120.40 113.33 1sqp s VAL 127 Ca 0.00 -1.00 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 1sqp s VAL 127 Cb 0.00 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.65 1sqp s VAL 127 CO 0.00 0.30 1.71 0.11 -0.31 0.00 0.00 175.10 176.91 1sqp h LYS 128 N 5.26 0.26 -4.26 4.82 1.79 -1.88 -3.45 116.57 119.12 1sqp h LYS 128 Ca -0.40 -0.12 -0.28 0.00 -2.18 0.00 0.00 60.65 57.66 1sqp h LYS 128 Cb 1.15 -0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.54 1sqp h LYS 128 CO 0.46 0.62 -0.74 0.15 -1.08 0.00 0.00 179.45 178.86 1sqp s LYS 129 N -4.19 0.37 0.35 3.15 -0.14 -1.26 -5.08 119.74 112.95 1sqp s LYS 129 Ca -0.05 -0.33 0.03 0.00 -1.36 0.00 0.00 55.97 54.26 1sqp s LYS 129 Cb 0.13 -0.27 0.67 0.00 -1.68 0.00 0.00 37.83 36.68 1sqp s LYS 129 CO 0.77 0.07 2.00 -1.35 -0.76 0.00 0.00 175.35 176.07 1sqp h PRO 130 N 5.55 0.80 -0.22 -1.68 0.11 -1.97 -3.01 132.00 131.57 1sqp h PRO 130 Ca -0.30 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1sqp h PRO 130 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1sqp h PRO 130 CO 0.47 0.53 -0.13 1.49 -0.21 0.00 0.00 178.00 180.16 1sqp h GLU 131 N 0.83 0.36 -5.18 1.05 4.81 -1.98 -3.44 114.58 111.03 1sqp h GLU 131 Ca 0.26 -0.09 -0.65 0.00 -0.13 0.00 0.00 59.36 58.75 1sqp h GLU 131 Cb 0.01 -0.04 -0.25 0.00 0.63 0.00 0.00 28.75 29.10 1sqp h GLU 131 CO -0.07 0.49 -0.70 -1.58 -0.73 0.00 0.00 179.01 176.42 1sqp s TRP 132 N -4.73 2.96 -0.24 0.92 0.52 -1.14 -3.38 118.94 113.85 1sqp s TRP 132 Ca -0.06 -0.58 -0.00 0.00 0.02 0.00 0.00 56.10 55.48 1sqp s TRP 132 Cb 0.15 -2.00 0.07 0.00 -1.15 0.00 0.00 33.47 30.54 1sqp s TRP 132 CO 0.75 -0.26 -0.01 0.54 0.02 0.00 0.00 176.95 178.00 1sqp s VAL 133 N 0.81 1.28 -0.15 4.03 0.11 -1.09 -4.59 120.40 120.81 1sqp s VAL 133 Ca -0.02 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 1sqp s VAL 133 Cb -0.15 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1sqp s VAL 133 CO 0.02 -0.23 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.85 1sqp s ILE 134 N 1.49 3.49 -0.15 7.04 1.09 -1.26 -1.38 121.20 131.52 1sqp s ILE 134 Ca -0.02 -0.50 -0.20 0.00 -1.10 0.00 0.00 60.65 58.84 1sqp s ILE 134 Cb -0.18 -2.51 0.05 0.00 -1.06 0.00 0.00 42.46 38.76 1sqp s ILE 134 CO -0.09 0.51 0.52 -1.48 -0.10 0.00 0.00 174.94 174.29 1sqp s LEU 135 N 0.38 0.02 0.07 2.97 0.05 -0.67 -4.39 118.68 117.11 1sqp s LEU 135 Ca -0.07 0.87 -0.28 0.00 0.05 0.00 0.00 54.13 54.70 1sqp s LEU 135 Cb -0.15 1.83 -0.05 0.00 -2.05 0.00 0.00 46.19 45.77 1sqp s LEU 135 CO 0.04 -0.28 0.87 -0.63 -0.55 0.00 0.00 176.35 175.80 1sqp s ILE 136 N -0.16 4.64 -0.50 1.48 1.01 -0.51 -0.92 121.20 126.23 1sqp s ILE 136 Ca -0.04 1.86 -0.06 0.00 0.00 0.00 0.00 60.65 62.42 1sqp s ILE 136 Cb -0.03 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 38.06 1sqp s ILE 136 CO 0.03 0.33 2.74 0.61 0.00 0.00 0.00 174.94 178.64 1sqp n GLY 137 N 2.37 2.97 3.09 6.18 0.00 0.27 -3.83 105.19 116.23 1sqp n GLY 137 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1sqp n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqp s VAL 138 N 2.01 1.99 -0.19 1.61 1.01 -1.26 -4.10 120.40 121.47 1sqp s VAL 138 Ca 0.52 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1sqp s VAL 138 Cb 0.20 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1sqp s VAL 138 CO -0.02 0.36 0.96 0.00 0.00 0.00 0.00 175.10 176.40 1sqp n THR 140 N 5.02 2.79 0.12 0.00 -2.24 -1.26 -2.81 114.28 115.90 1sqp n THR 140 Ca 0.09 -1.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 1sqp n THR 140 Cb 0.47 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 1sqp n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1sqp n HIS 141 N 3.02 -2.12 0.00 4.78 -0.00 -1.26 -4.42 115.22 115.22 1sqp n HIS 141 Ca 0.45 0.38 0.00 0.00 -0.00 0.00 0.00 57.72 58.54 1sqp n HIS 141 Cb 0.55 0.56 0.00 0.00 -0.00 0.00 0.00 29.99 31.11 1sqp n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sqp n LEU 142 N -3.33 0.00 0.00 0.27 7.99 -1.24 -5.08 117.00 115.61 1sqp n LEU 142 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1sqp n LEU 142 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1sqp n LEU 142 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1sqp n GLY 143 N 0.49 0.90 3.73 -0.72 0.00 -1.12 -5.08 105.19 103.39 1sqp n GLY 143 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1sqp n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp s VAL 145 N -3.00 3.86 0.31 0.00 1.01 -1.26 -2.69 120.40 118.63 1sqp s VAL 145 Ca 0.63 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1sqp s VAL 145 Cb -0.17 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 1sqp s VAL 145 CO 0.56 0.40 1.21 -2.84 0.00 0.00 0.00 175.10 174.44 1sqp s PRO 146 N 1.29 4.48 0.10 2.72 0.02 -1.26 -4.67 135.00 137.69 1sqp s PRO 146 Ca 0.04 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 62.78 1sqp s PRO 146 Cb -0.15 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.18 1sqp s PRO 146 CO 0.01 -0.01 1.37 0.42 -0.33 0.00 0.00 177.00 178.46 1sqp s ILE 147 N -1.15 3.39 0.45 2.83 1.01 0.33 -4.82 121.20 123.24 1sqp s ILE 147 Ca 0.47 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 1sqp s ILE 147 Cb -0.36 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1sqp s ILE 147 CO 0.48 0.07 1.26 0.00 0.00 0.00 0.00 174.94 176.75 1sqp s ALA 148 N 1.16 3.08 0.00 9.38 0.00 -1.26 -1.59 121.76 132.52 1sqp s ALA 148 Ca 0.64 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1sqp s ALA 148 Cb -0.36 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1sqp s ALA 148 CO 0.30 -0.87 0.00 -1.71 0.00 0.00 0.00 175.76 173.48 1sqp n ASN 149 N -0.30 0.00 -3.42 0.00 4.05 -0.13 -4.90 115.26 110.57 1sqp n ASN 149 Ca 0.06 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.82 1sqp n ASN 149 Cb 0.45 -0.32 0.23 0.00 1.23 0.00 0.00 39.78 41.37 1sqp n ASN 149 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sqp n ALA 150 N 0.64 -3.26 0.00 5.20 0.00 -1.25 -3.62 120.51 118.22 1sqp n ALA 150 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1sqp n ALA 150 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1sqp n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqp n GLY 151 N -4.14 -1.80 0.12 0.00 0.00 -1.26 -3.58 105.19 94.53 1sqp n GLY 151 Ca 0.13 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 1sqp n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqp n ASP 152 N 0.25 1.39 -0.04 1.61 9.92 -1.26 -4.51 116.55 123.91 1sqp n ASP 152 Ca 0.00 -0.01 -0.08 0.00 -0.53 0.00 0.00 54.79 54.17 1sqp n ASP 152 Cb 0.00 -0.07 0.09 0.00 -0.64 0.00 0.00 41.12 40.50 1sqp n ASP 152 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1sqp h PHE 153 N 0.01 0.78 -0.65 1.24 0.04 -1.85 -3.48 116.94 113.03 1sqp h PHE 153 Ca -0.53 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.03 1sqp h PHE 153 Cb 2.02 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 40.00 1sqp h PHE 153 CO 0.03 0.92 0.00 0.41 -0.60 0.00 0.00 178.31 179.07 1sqp n GLY 154 N -0.07 0.83 1.49 -1.45 0.00 -1.26 -4.95 105.19 99.78 1sqp n GLY 154 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1sqp n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 155 N -0.30 -1.56 3.23 -0.02 0.00 -1.19 -4.11 105.19 101.25 1sqp n GLY 155 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1sqp n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqp s TYR 156 N -0.75 -0.09 -0.11 1.61 2.02 -0.34 -0.96 117.35 118.74 1sqp s TYR 156 Ca 0.00 0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1sqp s TYR 156 Cb 0.00 0.07 0.05 0.00 -0.40 0.00 0.00 41.96 41.68 1sqp s TYR 156 CO 0.00 -0.45 0.23 -0.47 -1.57 0.00 0.00 175.55 173.29 1sqp s TYR 157 N -2.18 -0.33 -0.20 2.71 5.04 -0.62 -1.58 117.35 120.19 1sqp s TYR 157 Ca -0.08 0.80 -0.18 0.00 -2.44 0.00 0.00 57.07 55.17 1sqp s TYR 157 Cb -0.02 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 1sqp s TYR 157 CO -0.01 -0.27 0.50 0.00 -1.34 0.00 0.00 175.55 174.43 1sqp n PRO 159 N 4.74 1.43 0.00 0.00 -0.04 -1.26 -3.83 135.00 136.04 1sqp n PRO 159 Ca -0.05 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1sqp n PRO 159 Cb 0.50 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1sqp n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqp n HIS 161 N 0.00 2.24 -2.29 0.00 8.25 -1.26 -4.98 115.22 117.18 1sqp n HIS 161 Ca 0.00 -1.00 -0.01 0.00 -0.26 0.00 0.00 57.72 56.44 1sqp n HIS 161 Cb 0.00 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.50 1sqp n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqp n GLY 162 N 0.11 -2.99 2.90 -1.41 0.00 -1.25 -4.65 105.19 97.90 1sqp n GLY 162 Ca 0.35 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.47 1sqp n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqp s SER 163 N -1.32 2.14 -0.20 1.61 0.01 -1.25 -4.14 113.70 110.55 1sqp s SER 163 Ca 0.05 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1sqp s SER 163 Cb -0.01 -0.82 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 1sqp s SER 163 CO 0.49 -0.12 0.18 -1.00 0.41 0.00 0.00 173.24 173.21 1sqp s HIS 164 N 1.71 3.39 0.10 2.43 0.09 0.10 -2.37 115.29 120.75 1sqp s HIS 164 Ca 0.05 0.37 0.09 0.00 -0.00 0.00 0.00 55.06 55.57 1sqp s HIS 164 Cb -0.13 -2.24 -0.04 0.00 -0.00 0.00 0.00 32.58 30.18 1sqp s HIS 164 CO -0.08 0.21 -0.23 0.71 -0.00 0.00 0.00 174.74 175.35 1sqp s TYR 165 N 0.60 1.96 0.00 1.40 2.02 -0.61 -1.43 117.35 121.30 1sqp s TYR 165 Ca 0.10 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1sqp s TYR 165 Cb -0.12 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1sqp s TYR 165 CO 0.01 0.23 0.00 -0.40 -1.57 0.00 0.00 175.55 173.82 1sqp n ASP 166 N 1.13 0.00 -0.07 2.29 5.75 -1.19 -1.20 116.55 123.26 1sqp n ASP 166 Ca -0.19 -0.93 -0.01 0.00 -0.01 0.00 0.00 54.79 53.66 1sqp n ASP 166 Cb 0.53 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.89 1sqp n ASP 166 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqp h ALA 167 N -0.71 1.35 0.00 2.12 0.00 -1.89 -2.55 119.26 117.59 1sqp h ALA 167 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1sqp h ALA 167 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sqp h ALA 167 CO 0.00 0.47 -0.33 1.03 0.00 0.00 0.00 179.25 180.42 1sqp h SER 168 N 0.66 0.00 0.00 0.00 0.87 -1.95 -3.47 113.55 109.66 1sqp h SER 168 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1sqp h SER 168 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1sqp h SER 168 CO -0.00 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 1sqp n GLY 169 N -0.37 0.72 3.76 5.77 0.00 -0.96 -5.00 105.19 109.12 1sqp n GLY 169 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1sqp n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqp s ARG 170 N -0.93 4.42 -0.55 1.61 0.52 -1.26 -2.30 118.95 120.45 1sqp s ARG 170 Ca 0.00 1.91 -0.27 0.00 -0.52 0.00 0.00 55.73 56.86 1sqp s ARG 170 Cb 0.00 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1sqp s ARG 170 CO 0.00 -0.02 1.87 -1.50 0.02 0.00 0.00 175.30 175.67 1sqp s ILE 171 N -1.23 3.36 -0.20 1.52 1.10 -1.26 -3.20 121.20 121.29 1sqp s ILE 171 Ca 0.49 0.25 -0.21 0.00 -0.51 0.00 0.00 60.65 60.67 1sqp s ILE 171 Cb -0.33 -3.84 -0.18 0.00 0.15 0.00 0.00 42.46 38.26 1sqp s ILE 171 CO 0.43 -0.77 0.18 0.03 -2.11 0.00 0.00 174.94 172.70 1sqp h ARG 172 N 14.82 0.00 -4.98 3.50 2.47 -1.61 -3.37 114.38 125.21 1sqp h ARG 172 Ca -0.27 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.11 1sqp h ARG 172 Cb 1.17 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.29 1sqp h ARG 172 CO 1.18 0.92 -0.75 0.15 0.56 0.00 0.00 179.97 182.04 1sqp s LYS 173 N -2.35 0.75 0.00 0.04 1.02 -0.96 -4.94 119.74 113.29 1sqp s LYS 173 Ca -0.28 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1sqp s LYS 173 Cb 0.06 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1sqp s LYS 173 CO 0.56 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 1sqp n GLY 174 N 1.07 -4.07 3.38 -3.33 0.00 -1.26 -0.72 105.19 100.25 1sqp n GLY 174 Ca -0.20 -2.10 -0.45 0.00 0.00 0.00 0.00 46.02 43.27 1sqp n GLY 174 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqp s PRO 175 N -0.88 3.25 -0.24 1.61 0.04 -1.26 -4.99 135.00 132.53 1sqp s PRO 175 Ca 0.00 -1.64 -0.14 0.00 0.04 0.00 0.00 61.00 59.26 1sqp s PRO 175 Cb 0.00 -4.42 0.07 0.00 0.04 0.00 0.00 34.50 30.19 1sqp s PRO 175 CO 0.00 -1.53 0.58 0.00 0.04 0.00 0.00 177.00 176.09 1sqp s ALA 176 N 2.15 -1.54 0.11 8.56 0.00 -1.26 -4.96 121.76 124.81 1sqp s ALA 176 Ca 0.16 2.05 -0.12 0.00 0.00 0.00 0.00 51.96 54.05 1sqp s ALA 176 Cb -0.18 -1.22 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 1sqp s ALA 176 CO 0.00 -0.33 1.34 -1.00 0.00 0.00 0.00 175.76 175.77 1sqp h PRO 177 N 6.96 0.83 -5.72 0.00 0.13 -1.95 -3.47 132.00 128.79 1sqp h PRO 177 Ca -0.32 -0.62 -0.48 0.00 -0.87 0.00 0.00 66.00 63.70 1sqp h PRO 177 Cb 1.21 0.11 -0.16 0.00 0.13 0.00 0.00 31.00 32.29 1sqp h PRO 177 CO 0.21 1.24 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.95 1sqp s LEU 178 N -8.52 2.48 1.25 1.56 1.02 -1.26 -4.24 118.68 110.97 1sqp s LEU 178 Ca -0.10 -0.92 -0.16 0.00 0.02 0.00 0.00 54.13 52.97 1sqp s LEU 178 Cb 0.09 -0.73 0.31 0.00 0.02 0.00 0.00 46.19 45.88 1sqp s LEU 178 CO 0.90 -0.10 1.00 0.20 0.02 0.00 0.00 176.35 178.37 1sqp s ASN 179 N -2.92 0.32 0.39 2.29 0.01 -1.26 -4.47 114.94 109.30 1sqp s ASN 179 Ca 0.18 1.29 -0.27 0.00 -0.71 0.00 0.00 52.86 53.34 1sqp s ASN 179 Cb -0.04 -1.96 -0.10 0.00 0.41 0.00 0.00 41.25 39.56 1sqp s ASN 179 CO 0.06 -4.57 1.46 -0.76 -1.51 0.00 0.00 177.10 171.78 1sqp s LEU 180 N -7.41 4.28 0.11 0.60 1.43 -0.97 -4.43 118.68 112.28 1sqp s LEU 180 Ca 0.69 3.00 -0.31 0.00 -1.03 0.00 0.00 54.13 56.47 1sqp s LEU 180 Cb -0.22 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.18 1sqp s LEU 180 CO 0.63 -0.92 1.73 -1.61 0.23 0.00 0.00 176.35 176.41 1sqp s GLU 181 N -2.16 4.17 -0.32 1.70 2.02 -1.22 -4.89 118.70 117.99 1sqp s GLU 181 Ca 0.54 2.47 -0.08 0.00 0.02 0.00 0.00 54.97 57.92 1sqp s GLU 181 Cb -0.45 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.25 1sqp s GLU 181 CO 0.61 -0.78 0.13 0.08 0.02 0.00 0.00 175.26 175.32 1sqp s VAL 182 N 2.51 4.27 0.94 2.63 1.01 -1.26 -1.43 120.40 129.06 1sqp s VAL 182 Ca 0.77 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1sqp s VAL 182 Cb -0.43 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 32.85 1sqp s VAL 182 CO 0.34 -0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.39 1sqp s PRO 183 N 1.54 0.91 -0.47 2.72 0.04 -1.26 -5.01 135.00 133.47 1sqp s PRO 183 Ca 0.03 0.37 -0.24 0.00 0.04 0.00 0.00 61.00 61.20 1sqp s PRO 183 Cb -0.18 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1sqp s PRO 183 CO 0.04 -2.37 0.86 0.45 0.04 0.00 0.00 177.00 176.03 1sqp s SER 184 N -3.83 6.44 0.18 6.66 0.15 -1.26 -5.04 113.70 117.00 1sqp s SER 184 Ca 0.64 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 57.30 1sqp s SER 184 Cb -0.16 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1sqp s SER 184 CO 0.55 -1.01 -0.09 -0.72 1.20 0.00 0.00 173.24 173.17 1sqp s TYR 185 N 3.56 1.44 -0.18 3.44 -0.85 -1.26 -3.51 117.35 119.99 1sqp s TYR 185 Ca 0.33 -0.75 -0.26 0.00 -0.52 0.00 0.00 57.07 55.87 1sqp s TYR 185 Cb -0.11 -0.74 0.07 0.00 0.38 0.00 0.00 41.96 41.55 1sqp s TYR 185 CO 0.24 0.12 0.68 -1.83 -1.52 0.00 0.00 175.55 173.25 1sqp s GLU 186 N -3.75 0.90 -0.07 -3.49 -1.05 -1.24 -5.05 118.70 104.95 1sqp s GLU 186 Ca 0.21 0.70 0.05 0.00 -0.15 0.00 0.00 54.97 55.77 1sqp s GLU 186 Cb 0.03 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1sqp s GLU 186 CO 0.04 -0.18 -0.23 -0.59 0.95 0.00 0.00 175.26 175.25 1sqp s PHE 187 N -0.21 2.36 -2.43 4.83 -0.71 -1.26 -3.05 117.98 117.51 1sqp s PHE 187 Ca -0.04 -0.81 0.20 0.00 -1.04 0.00 0.00 56.93 55.24 1sqp s PHE 187 Cb -0.03 -1.57 0.21 0.00 -1.21 0.00 0.00 43.02 40.42 1sqp s PHE 187 CO 0.04 -0.29 1.19 2.41 -1.34 0.00 0.00 175.22 177.23 1sqp n THR 188 N 3.21 0.13 -3.55 -4.49 -1.04 -1.21 -5.03 114.28 102.30 1sqp n THR 188 Ca -0.18 -0.57 -0.04 0.00 -2.04 0.00 0.00 64.05 61.22 1sqp n THR 188 Cb 0.52 1.30 -0.00 0.00 -1.82 0.00 0.00 70.33 70.33 1sqp n THR 188 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sqp n SER 189 N 1.17 -0.54 -0.92 8.00 7.64 -1.25 -5.00 113.62 122.72 1sqp n SER 189 Ca 0.13 -1.57 0.09 0.00 1.01 0.00 0.00 58.87 58.53 1sqp n SER 189 Cb 0.52 0.95 0.25 0.00 -1.01 0.00 0.00 64.21 64.92 1sqp n SER 189 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1sqp n ASP 190 N -1.68 2.68 0.00 6.43 5.68 -1.26 -4.44 116.55 123.97 1sqp n ASP 190 Ca -0.01 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1sqp n ASP 190 Cb 0.19 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1sqp n ASP 190 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1sqp n ASP 191 N 0.97 0.00 -3.82 -1.12 5.75 -1.26 -3.78 116.55 113.29 1sqp n ASP 191 Ca 0.17 -1.00 -0.16 0.00 -0.01 0.00 0.00 54.79 53.80 1sqp n ASP 191 Cb 0.44 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.37 1sqp n ASP 191 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1sqp s MET 192 N 0.00 0.18 -0.13 0.11 1.75 -1.26 -3.52 119.30 116.42 1sqp s MET 192 Ca 0.00 0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 54.43 1sqp s MET 192 Cb 0.00 -0.35 0.04 0.00 2.84 0.00 0.00 34.83 37.36 1sqp s MET 192 CO 0.00 -0.11 0.33 0.54 -0.65 0.00 0.00 175.02 175.13 1sqp s VAL 193 N 0.83 -0.02 -0.15 10.11 0.11 -1.21 -3.36 120.40 126.72 1sqp s VAL 193 Ca -0.08 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1sqp s VAL 193 Cb -0.11 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1sqp s VAL 193 CO -0.02 0.03 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.00 1sqp s ILE 194 N 0.86 2.67 -0.80 7.04 1.01 -1.17 -3.22 121.20 127.60 1sqp s ILE 194 Ca -0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1sqp s ILE 194 Cb -0.06 -2.12 0.21 0.00 0.01 0.00 0.00 42.46 40.49 1sqp s ILE 194 CO -0.06 0.52 0.70 0.68 0.00 0.00 0.00 174.94 176.78 1sqp s VAL 195 N 0.76 5.10 -0.06 2.92 -7.23 -1.23 -3.66 120.40 117.00 1sqp s VAL 195 Ca -0.06 -2.72 0.00 0.00 -1.81 0.00 0.00 61.98 57.40 1sqp s VAL 195 Cb -0.15 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1sqp s VAL 195 CO 0.01 -1.00 0.51 0.61 -0.31 0.00 0.00 175.10 174.92