#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqx h HIS 2 N 0.00 0.00 0.00 0.66 2.07 -2.09 -3.13 115.15 112.66 1sqx h HIS 2 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sqx h HIS 2 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1sqx h HIS 2 CO 0.00 0.13 0.00 0.25 -3.07 0.00 0.00 177.93 175.24 1sqx n THR 3 N -3.25 1.21 0.40 6.12 -2.24 -1.26 -2.07 114.28 113.20 1sqx n THR 3 Ca 0.01 0.38 0.14 0.00 -2.27 0.00 0.00 64.05 62.30 1sqx n THR 3 Cb 0.40 -1.27 0.48 0.00 -2.10 0.00 0.00 70.33 67.83 1sqx n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sqx h ASP 4 N 0.00 0.00 -3.05 3.42 3.32 -2.09 -3.43 116.42 114.58 1sqx h ASP 4 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1sqx h ASP 4 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1sqx h ASP 4 CO 0.00 0.00 1.12 -0.63 -1.72 0.00 0.00 179.24 178.01 1sqx s ILE 5 N -3.34 3.79 -0.10 0.35 1.01 -0.88 -5.00 121.20 117.03 1sqx s ILE 5 Ca 0.05 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.42 1sqx s ILE 5 Cb 0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1sqx s ILE 5 CO 0.52 -0.77 0.13 -0.54 0.00 0.00 0.00 174.94 174.27 1sqx s LYS 6 N 5.24 3.37 0.04 2.79 1.02 -1.26 -5.10 119.74 125.84 1sqx s LYS 6 Ca 0.63 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 56.12 1sqx s LYS 6 Cb -0.15 -3.12 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1sqx s LYS 6 CO 0.31 0.75 1.50 0.08 -0.92 0.00 0.00 175.35 177.08 1sqx s VAL 7 N -1.05 3.40 0.82 3.17 1.01 -1.26 -5.01 120.40 121.48 1sqx s VAL 7 Ca 0.17 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1sqx s VAL 7 Cb -0.12 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.81 1sqx s VAL 7 CO 0.06 0.00 1.13 -2.84 0.00 0.00 0.00 175.10 173.45 1sqx s PRO 8 N 2.40 1.78 0.24 2.72 0.02 -1.26 -4.95 135.00 135.95 1sqx s PRO 8 Ca 0.68 1.39 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 1sqx s PRO 8 Cb -0.35 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 1sqx s PRO 8 CO 0.29 -2.03 1.50 0.34 -0.33 0.00 0.00 177.00 176.77 1sqx s ASP 9 N -2.93 6.57 -0.04 2.53 -1.08 -1.26 -4.94 116.67 115.52 1sqx s ASP 9 Ca 0.65 2.72 0.07 0.00 -0.52 0.00 0.00 52.55 55.47 1sqx s ASP 9 Cb -0.21 -2.62 0.16 0.00 -1.46 0.00 0.00 42.92 38.79 1sqx s ASP 9 CO 0.55 -0.78 1.11 0.49 0.52 0.00 0.00 175.17 177.06 1sqx n PHE 10 N 2.66 0.17 -0.26 -5.34 3.72 -1.26 -4.77 117.46 112.37 1sqx n PHE 10 Ca 0.09 -0.62 0.12 0.00 -0.05 0.00 0.00 57.45 56.99 1sqx n PHE 10 Cb 0.39 -0.08 0.38 0.00 -0.94 0.00 0.00 39.48 39.23 1sqx n PHE 10 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1sqx h SER 11 N 0.56 0.64 -0.63 4.37 0.02 -1.95 -0.84 113.55 115.72 1sqx h SER 11 Ca 0.00 0.04 0.16 0.00 -0.84 0.00 0.00 61.79 61.15 1sqx h SER 11 Cb 0.71 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1sqx h SER 11 CO 0.02 0.33 0.44 0.44 -1.14 0.00 0.00 176.83 176.91 1sqx h ASP 12 N 0.68 0.10 0.00 3.07 5.19 -2.03 -3.02 116.42 120.41 1sqx h ASP 12 Ca 0.44 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1sqx h ASP 12 Cb 0.72 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1sqx h ASP 12 CO -0.20 0.05 -1.18 -1.22 -3.12 0.00 0.00 179.24 173.57 1sqx n TYR 13 N -4.39 0.00 -2.14 4.55 4.01 -0.39 -5.05 117.16 113.75 1sqx n TYR 13 Ca 0.12 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.46 1sqx n TYR 13 Cb 0.63 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1sqx n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sqx s ARG 14 N -2.57 4.28 0.40 -0.72 0.52 -0.75 -5.02 118.95 115.09 1sqx s ARG 14 Ca -0.01 2.15 -0.27 0.00 -0.52 0.00 0.00 55.73 57.08 1sqx s ARG 14 Cb 0.08 -2.99 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 1sqx s ARG 14 CO 0.49 -0.23 1.35 0.54 0.02 0.00 0.00 175.30 177.47 1sqx n ARG 15 N 0.64 2.19 -0.23 3.54 1.74 -1.26 -4.94 116.66 118.34 1sqx n ARG 15 Ca 0.01 0.77 0.03 0.00 -0.77 0.00 0.00 57.85 57.89 1sqx n ARG 15 Cb 0.43 -2.47 0.27 0.00 -1.02 0.00 0.00 32.46 29.66 1sqx n ARG 15 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1sqx h PRO 16 N 2.41 0.94 0.00 5.56 0.11 -1.97 -1.33 132.00 137.72 1sqx h PRO 16 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1sqx h PRO 16 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sqx h PRO 16 CO 0.62 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 1sqx n GLU 17 N -4.45 0.67 -0.21 1.05 0.00 -1.26 -2.72 120.64 113.72 1sqx n GLU 17 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.32 1sqx n GLU 17 Cb 0.12 -1.41 0.08 0.00 0.00 0.00 0.00 31.44 30.23 1sqx n GLU 17 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1sqx n VAL 18 N -0.91 1.14 0.08 3.84 3.14 -0.50 -4.74 118.33 120.38 1sqx n VAL 18 Ca 0.13 -1.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.16 1sqx n VAL 18 Cb 0.06 0.10 -0.04 0.00 -1.06 0.00 0.00 33.84 32.90 1sqx n VAL 18 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1sqx h LEU 19 N 0.00 0.00 -8.57 6.55 3.38 -1.54 -3.44 115.31 111.69 1sqx h LEU 19 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1sqx h LEU 19 Cb 1.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1sqx h LEU 19 CO 0.00 0.59 0.95 -0.62 0.09 0.00 0.00 178.44 179.45 1sqx s ASP 20 N -6.18 6.44 0.54 -0.43 -1.08 -1.26 -4.89 116.67 109.81 1sqx s ASP 20 Ca 0.01 0.07 0.32 0.00 -0.52 0.00 0.00 52.55 52.43 1sqx s ASP 20 Cb 0.08 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.45 1sqx s ASP 20 CO 0.78 -1.47 2.03 0.77 0.52 0.00 0.00 175.17 177.80 1sqx h SER 21 N 9.53 0.00 0.79 -0.34 4.64 -2.00 -2.89 113.55 123.28 1sqx h SER 21 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1sqx h SER 21 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1sqx h SER 21 CO 1.18 0.06 0.00 1.07 -0.87 0.00 0.00 176.83 178.27 1sqx n THR 22 N -3.24 0.03 -4.53 2.95 5.66 -1.26 -4.88 114.28 109.01 1sqx n THR 22 Ca -0.00 0.01 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1sqx n THR 22 Cb 0.28 -0.52 -0.14 0.00 -1.55 0.00 0.00 70.33 68.41 1sqx n THR 22 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1sqx s LYS 23 N -2.81 1.20 0.38 1.09 3.01 -1.09 -5.12 119.74 116.40 1sqx s LYS 23 Ca 0.20 -0.85 -0.27 0.00 -1.01 0.00 0.00 55.97 54.04 1sqx s LYS 23 Cb 0.19 -1.26 -0.10 0.00 -1.01 0.00 0.00 37.83 35.65 1sqx s LYS 23 CO 0.49 0.32 1.36 0.45 0.51 0.00 0.00 175.35 178.48 1sqx s SER 24 N -1.12 6.41 0.16 2.83 0.15 -1.26 -4.87 113.70 116.02 1sqx s SER 24 Ca 0.05 2.78 0.15 0.00 0.70 0.00 0.00 55.95 59.63 1sqx s SER 24 Cb -0.08 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 1sqx s SER 24 CO 0.01 -0.79 1.15 0.28 1.20 0.00 0.00 173.24 175.09 1sqx h SER 25 N 2.93 0.00 -1.01 5.45 0.02 -1.92 -3.36 113.55 115.66 1sqx h SER 25 Ca -0.50 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 60.72 1sqx h SER 25 Cb 1.24 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1sqx h SER 25 CO 0.64 0.59 0.68 0.11 -1.14 0.00 0.00 176.83 177.71 1sqx h LYS 26 N 0.00 0.23 -0.30 3.45 1.57 -1.99 -1.70 116.57 117.83 1sqx h LYS 26 Ca -0.08 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1sqx h LYS 26 Cb 1.52 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 1sqx h LYS 26 CO 0.06 0.15 -0.20 0.93 -0.57 0.00 0.00 179.45 179.83 1sqx h GLU 27 N 0.24 0.66 -0.06 3.15 5.08 -1.99 -3.08 114.58 118.58 1sqx h GLU 27 Ca 0.53 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1sqx h GLU 27 Cb 1.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1sqx h GLU 27 CO -0.15 0.91 0.00 -1.13 -1.00 0.00 0.00 179.01 177.64 1sqx n SER 28 N -4.34 0.93 -0.09 1.42 3.41 -0.93 -4.32 113.62 109.69 1sqx n SER 28 Ca -0.03 -1.45 -0.12 0.00 -0.26 0.00 0.00 58.87 57.01 1sqx n SER 28 Cb 0.41 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 1sqx n SER 28 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1sqx h SER 29 N 1.33 0.49 -0.41 4.04 0.87 -1.23 -0.90 113.55 117.74 1sqx h SER 29 Ca 0.00 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 1sqx h SER 29 Cb 0.29 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1sqx h SER 29 CO 0.00 0.75 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.61 1sqx h GLU 30 N 0.23 0.80 -0.27 2.24 5.08 -1.76 -2.90 114.58 118.01 1sqx h GLU 30 Ca 0.06 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1sqx h GLU 30 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1sqx h GLU 30 CO 0.03 0.94 0.12 0.00 -1.00 0.00 0.00 179.01 179.09 1sqx h ALA 31 N 0.84 0.35 -0.31 3.43 0.00 -1.80 -0.57 119.26 121.20 1sqx h ALA 31 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1sqx h ALA 31 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sqx h ALA 31 CO 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.11 1sqx h ARG 32 N 0.29 0.62 -0.43 0.00 3.08 -1.17 -0.43 114.38 116.35 1sqx h ARG 32 Ca 0.09 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 1sqx h ARG 32 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1sqx h ARG 32 CO -0.01 0.82 -0.13 0.87 -1.07 0.00 0.00 179.97 180.45 1sqx h LYS 33 N 0.38 0.78 -0.22 0.04 1.57 -1.60 -2.93 116.57 114.60 1sqx h LYS 33 Ca 0.07 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1sqx h LYS 33 Cb 0.62 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1sqx h LYS 33 CO 0.04 0.87 -0.17 0.78 -0.57 0.00 0.00 179.45 180.40 1sqx h GLY 34 N 0.97 -0.03 1.00 3.86 0.00 -0.64 0.29 103.07 108.53 1sqx h GLY 34 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1sqx h GLY 34 CO 0.04 -0.17 0.17 -2.75 0.00 0.00 0.00 176.54 173.84 1sqx h PHE 35 N -0.17 0.33 -0.37 5.60 3.57 -1.07 -0.87 116.94 123.96 1sqx h PHE 35 Ca 0.13 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 1sqx h PHE 35 Cb 0.36 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1sqx h PHE 35 CO -0.32 0.21 -0.40 0.77 -2.23 0.00 0.00 178.31 176.33 1sqx h SER 36 N 0.35 0.99 0.15 0.41 0.02 -1.35 -2.67 113.55 111.45 1sqx h SER 36 Ca 0.10 -0.46 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 1sqx h SER 36 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1sqx h SER 36 CO -0.02 1.26 -0.49 1.88 -1.14 0.00 0.00 176.83 178.32 1sqx h TYR 37 N 0.75 0.48 -0.83 3.45 0.05 -0.91 -3.02 116.97 116.94 1sqx h TYR 37 Ca 0.06 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.73 1sqx h TYR 37 Cb 1.00 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.59 1sqx h TYR 37 CO 0.06 0.80 0.54 1.25 -1.05 0.00 0.00 178.16 179.77 1sqx h LEU 38 N 0.31 0.85 0.02 3.88 5.85 -1.03 0.24 115.31 125.43 1sqx h LEU 38 Ca 0.02 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1sqx h LEU 38 Cb 0.97 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1sqx h LEU 38 CO 0.08 0.57 -0.05 0.58 -0.34 0.00 0.00 178.44 179.28 1sqx h VAL 39 N 0.97 0.87 -0.20 1.05 2.07 -1.37 -0.41 116.25 119.24 1sqx h VAL 39 Ca 0.34 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.73 1sqx h VAL 39 Cb 0.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1sqx h VAL 39 CO -0.11 0.00 -0.45 0.71 0.02 0.00 0.00 177.57 177.74 1sqx h THR 40 N -0.10 1.31 -0.39 2.57 1.35 -1.34 -1.62 112.91 114.70 1sqx h THR 40 Ca 0.01 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1sqx h THR 40 Cb 0.11 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1sqx h THR 40 CO -0.04 0.51 0.24 0.00 -0.25 0.00 0.00 175.52 175.98 1sqx h ALA 41 N 1.10 0.50 -0.49 6.62 0.00 -0.44 -0.56 119.26 125.99 1sqx h ALA 41 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1sqx h ALA 41 Cb 0.95 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1sqx h ALA 41 CO 0.08 -0.01 0.10 1.15 0.00 0.00 0.00 179.25 180.58 1sqx h THR 42 N 0.52 1.24 -0.23 0.00 2.02 -1.02 -1.91 112.91 113.54 1sqx h THR 42 Ca 0.14 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1sqx h THR 42 Cb -0.00 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1sqx h THR 42 CO -0.03 0.31 0.07 0.74 0.37 0.00 0.00 175.52 176.99 1sqx h THR 43 N 0.68 0.93 -0.47 3.16 2.02 -1.11 0.38 112.91 118.51 1sqx h THR 43 Ca 0.15 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1sqx h THR 43 Cb 0.36 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1sqx h THR 43 CO 0.01 0.03 0.26 0.74 0.37 0.00 0.00 175.52 176.93 1sqx h THR 44 N 0.17 1.02 -0.66 3.16 2.02 -1.05 0.40 112.91 117.97 1sqx h THR 44 Ca 0.10 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1sqx h THR 44 Cb 0.07 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1sqx h THR 44 CO -0.11 0.10 0.39 0.58 0.37 0.00 0.00 175.52 176.84 1sqx h VAL 45 N 0.53 1.01 0.34 3.16 2.07 -1.04 0.43 116.25 122.74 1sqx h VAL 45 Ca 0.19 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1sqx h VAL 45 Cb 0.04 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1sqx h VAL 45 CO -0.10 0.13 -0.16 1.23 0.02 0.00 0.00 177.57 178.69 1sqx h GLY 46 N 0.73 -0.47 0.53 2.17 0.00 0.61 -2.31 103.07 104.33 1sqx h GLY 46 Ca 0.29 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.91 1sqx h GLY 46 CO -0.15 -0.17 0.62 -2.08 0.00 0.00 0.00 176.54 174.75 1sqx h VAL 47 N -0.68 0.93 -0.09 4.60 2.07 -0.14 -2.90 116.25 120.04 1sqx h VAL 47 Ca -0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sqx h VAL 47 Cb 0.48 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1sqx h VAL 47 CO 0.08 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.90 1sqx h ALA 48 N 1.54 0.11 -0.65 1.67 0.00 0.13 0.37 119.26 122.43 1sqx h ALA 48 Ca 0.47 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.51 1sqx h ALA 48 Cb 0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1sqx h ALA 48 CO -0.24 -0.40 0.15 -0.92 0.00 0.00 0.00 179.25 177.84 1sqx h TYR 49 N 0.12 0.24 -0.11 0.00 3.20 -1.35 0.40 116.97 119.46 1sqx h TYR 49 Ca 0.03 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.71 1sqx h TYR 49 Cb -0.01 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.26 1sqx h TYR 49 CO -0.07 -0.04 -0.83 0.00 -1.64 0.00 0.00 178.16 175.57 1sqx h ALA 50 N 1.52 0.30 -0.24 1.82 0.00 -1.12 -2.80 119.26 118.75 1sqx h ALA 50 Ca 0.35 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sqx h ALA 50 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sqx h ALA 50 CO -0.44 0.70 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1sqx h ALA 51 N 0.57 0.31 -0.59 0.00 0.00 -0.04 -2.55 119.26 116.95 1sqx h ALA 51 Ca -0.07 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1sqx h ALA 51 Cb 1.46 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1sqx h ALA 51 CO 0.17 -0.07 -0.01 -0.22 0.00 0.00 0.00 179.25 179.12 1sqx h LYS 52 N 0.23 0.10 0.34 0.00 3.64 -0.98 -2.08 116.57 117.82 1sqx h LYS 52 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1sqx h LYS 52 Cb 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1sqx h LYS 52 CO -0.00 0.07 -0.16 -0.91 -2.27 0.00 0.00 179.45 176.17 1sqx h ASN 53 N 0.10 -0.39 -0.88 4.20 4.21 -1.24 0.18 115.58 121.75 1sqx h ASN 53 Ca 0.31 -0.13 0.02 0.00 1.21 0.00 0.00 56.30 57.71 1sqx h ASN 53 Cb 0.49 0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 37.74 1sqx h ASN 53 CO -0.52 -0.08 0.58 -0.37 -1.29 0.00 0.00 177.43 175.76 1sqx h VAL 54 N -0.72 1.20 -0.39 2.81 -1.51 -1.46 -1.04 116.25 115.14 1sqx h VAL 54 Ca -0.05 -0.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.98 1sqx h VAL 54 Cb 0.49 -0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 1sqx h VAL 54 CO 0.08 0.21 0.06 0.58 -1.23 0.00 0.00 177.57 177.27 1sqx h VAL 55 N 1.16 1.24 0.10 7.19 2.07 -1.34 -0.12 116.25 126.56 1sqx h VAL 55 Ca 0.33 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1sqx h VAL 55 Cb -0.09 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1sqx h VAL 55 CO -0.09 0.30 -0.05 0.28 0.02 0.00 0.00 177.57 178.03 1sqx h SER 56 N 0.49 -0.12 -0.68 0.57 0.02 -0.80 0.13 113.55 113.16 1sqx h SER 56 Ca 0.12 -0.14 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1sqx h SER 56 Cb 0.38 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.86 1sqx h SER 56 CO 0.01 0.07 0.26 1.56 -1.14 0.00 0.00 176.83 177.59 1sqx h GLN 57 N -0.30 0.41 -0.47 3.45 4.20 -1.17 0.47 115.11 121.69 1sqx h GLN 57 Ca -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1sqx h GLN 57 Cb 0.25 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1sqx h GLN 57 CO 0.02 0.27 0.12 0.74 -0.67 0.00 0.00 178.83 179.31 1sqx h PHE 58 N 0.42 0.79 -0.83 2.96 -1.00 -0.83 -2.56 116.94 115.88 1sqx h PHE 58 Ca 0.36 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 61.06 1sqx h PHE 58 Cb 0.50 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.79 1sqx h PHE 58 CO -0.17 0.72 0.55 0.28 -1.61 0.00 0.00 178.31 178.07 1sqx h VAL 59 N 0.64 1.21 0.00 -0.55 2.07 0.05 -3.00 116.25 116.66 1sqx h VAL 59 Ca 0.15 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1sqx h VAL 59 Cb 0.32 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1sqx h VAL 59 CO 0.00 0.20 -0.24 -1.28 0.02 0.00 0.00 177.57 176.27 1sqx h SER 60 N 1.12 0.00 0.51 0.57 0.87 0.09 -2.80 113.55 113.92 1sqx h SER 60 Ca 0.31 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1sqx h SER 60 Cb -0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1sqx h SER 60 CO -0.07 0.24 -0.18 0.77 -0.53 0.00 0.00 176.83 177.06 1sqx h SER 61 N 0.00 0.00 0.82 6.23 4.64 -1.31 -2.98 113.55 120.96 1sqx h SER 61 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1sqx h SER 61 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1sqx h SER 61 CO 0.03 0.18 -1.21 0.24 -0.87 0.00 0.00 176.83 175.20 1sqx h MET 62 N 0.00 0.03 -7.55 4.77 2.86 -1.62 -3.47 114.93 109.95 1sqx h MET 62 Ca -0.00 -0.06 -0.44 0.00 -2.06 0.00 0.00 59.70 57.14 1sqx h MET 62 Cb 0.49 0.02 0.16 0.00 0.06 0.00 0.00 31.60 32.33 1sqx h MET 62 CO 0.02 0.90 0.27 -1.54 1.06 0.00 0.00 176.91 177.63 1sqx s SER 63 N -6.61 2.38 -0.01 1.22 1.04 -1.13 -4.92 113.70 105.67 1sqx s SER 63 Ca -0.01 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 56.76 1sqx s SER 63 Cb 0.09 -0.93 -0.07 0.00 0.10 0.00 0.00 66.02 65.21 1sqx s SER 63 CO 0.83 -3.22 1.81 0.00 0.98 0.00 0.00 173.24 173.64 1sqx s ALA 64 N -3.35 3.60 0.95 5.32 0.00 -1.26 -4.99 121.76 122.03 1sqx s ALA 64 Ca 0.70 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.65 1sqx s ALA 64 Cb -0.10 -3.80 0.16 0.00 0.00 0.00 0.00 23.12 19.39 1sqx s ALA 64 CO 0.54 -1.48 1.15 -1.54 0.00 0.00 0.00 175.76 174.43 1sqx s SER 65 N 3.88 3.19 0.64 0.00 1.04 -1.26 -4.97 113.70 116.23 1sqx s SER 65 Ca 0.81 0.87 0.40 0.00 0.48 0.00 0.00 55.95 58.51 1sqx s SER 65 Cb -0.38 -1.36 2.24 0.00 0.10 0.00 0.00 66.02 66.62 1sqx s SER 65 CO 0.35 -2.74 2.33 0.00 0.98 0.00 0.00 173.24 174.17 1sqx h ALA 66 N -1.63 1.17 0.00 5.32 0.00 -2.00 -3.10 119.26 119.02 1sqx h ALA 66 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1sqx h ALA 66 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sqx h ALA 66 CO 0.57 0.00 0.00 0.22 0.00 0.00 0.00 179.25 180.04 1sqx h ASP 67 N 0.00 0.00 0.00 0.00 3.58 -2.02 -3.33 116.42 114.65 1sqx h ASP 67 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sqx h ASP 67 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1sqx h ASP 67 CO 0.00 0.00 0.00 1.33 -2.88 0.00 0.00 179.24 177.69 1sqx n VAL 68 N -2.67 0.00 -1.95 2.25 0.24 -1.17 -5.11 118.33 109.91 1sqx n VAL 68 Ca -0.02 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 61.80 1sqx n VAL 68 Cb 0.09 1.47 0.04 0.00 -1.47 0.00 0.00 33.84 33.97 1sqx n VAL 68 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1sqx s LEU 69 N -0.19 3.61 -0.29 1.34 2.96 -1.25 -4.71 118.68 120.14 1sqx s LEU 69 Ca 0.00 2.32 -0.10 0.00 -0.22 0.00 0.00 54.13 56.12 1sqx s LEU 69 Cb 0.00 -4.59 0.01 0.00 0.50 0.00 0.00 46.19 42.11 1sqx s LEU 69 CO 0.00 -1.63 0.26 0.00 -1.32 0.00 0.00 176.35 173.66 1sqx n ALA 70 N -1.77 -2.84 -2.77 5.97 0.00 -1.26 -5.01 120.51 112.83 1sqx n ALA 70 Ca 0.13 0.53 -0.28 0.00 0.00 0.00 0.00 53.44 53.82 1sqx n ALA 70 Cb 0.50 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1sqx n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1sqx s MET 71 N -1.86 3.52 0.60 0.00 1.75 -1.26 -5.11 119.30 116.94 1sqx s MET 71 Ca 0.12 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.28 1sqx s MET 71 Cb -0.02 -2.85 0.08 0.00 2.84 0.00 0.00 34.83 34.87 1sqx s MET 71 CO 0.62 0.42 0.83 -1.54 -0.65 0.00 0.00 175.02 174.69 1sqx s SER 72 N -3.07 4.95 0.85 1.11 1.04 -1.26 -5.04 113.70 112.28 1sqx s SER 72 Ca 0.38 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 1sqx s SER 72 Cb -0.11 -0.14 0.10 0.00 0.10 0.00 0.00 66.02 65.97 1sqx s SER 72 CO 0.29 -1.40 1.10 -0.54 0.98 0.00 0.00 173.24 173.67 1sqx s LYS 73 N -4.80 1.68 -0.05 4.02 1.02 -1.26 -4.73 119.74 115.62 1sqx s LYS 73 Ca 0.62 0.58 0.02 0.00 0.02 0.00 0.00 55.97 57.21 1sqx s LYS 73 Cb -0.07 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1sqx s LYS 73 CO 0.40 -1.89 -0.09 -1.50 -0.92 0.00 0.00 175.35 171.35 1sqx s ILE 74 N -3.14 0.86 -0.17 2.17 1.10 -1.22 -5.01 121.20 115.79 1sqx s ILE 74 Ca 0.62 -0.34 -0.21 0.00 -0.51 0.00 0.00 60.65 60.20 1sqx s ILE 74 Cb -0.15 -0.80 -0.03 0.00 0.15 0.00 0.00 42.46 41.63 1sqx s ILE 74 CO 0.55 0.29 0.65 -1.61 -2.11 0.00 0.00 174.94 172.70 1sqx s GLU 75 N 0.60 4.27 -0.09 3.50 2.02 -1.26 -3.36 118.70 124.37 1sqx s GLU 75 Ca -0.11 0.69 0.02 0.00 0.02 0.00 0.00 54.97 55.59 1sqx s GLU 75 Cb -0.13 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.57 1sqx s GLU 75 CO 0.02 -0.16 -0.13 0.42 0.02 0.00 0.00 175.26 175.42 1sqx s ILE 76 N 1.64 1.30 -0.04 -1.63 1.01 -1.10 -5.05 121.20 117.34 1sqx s ILE 76 Ca 0.31 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1sqx s ILE 76 Cb -0.16 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1sqx s ILE 76 CO 0.12 0.40 1.21 -0.75 0.00 0.00 0.00 174.94 175.92 1sqx s LYS 77 N 0.88 4.36 0.04 2.79 2.36 -1.26 -2.23 119.74 126.68 1sqx s LYS 77 Ca -0.10 1.70 -0.18 0.00 -2.55 0.00 0.00 55.97 54.85 1sqx s LYS 77 Cb -0.15 -3.53 -0.19 0.00 -1.05 0.00 0.00 37.83 32.91 1sqx s LYS 77 CO 0.01 -0.43 1.22 -0.07 1.55 0.00 0.00 175.35 177.63 1sqx h LEU 78 N 8.02 0.62 0.00 5.43 3.38 -1.70 -3.25 115.31 127.81 1sqx h LEU 78 Ca -0.35 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 56.96 1sqx h LEU 78 Cb 1.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1sqx h LEU 78 CO 0.87 1.17 0.00 -1.54 0.09 0.00 0.00 178.44 179.04 1sqx n SER 79 N -4.22 0.00 0.02 -0.43 3.41 -1.26 -2.80 113.62 108.34 1sqx n SER 79 Ca -0.08 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1sqx n SER 79 Cb 0.61 -0.23 0.54 0.00 -0.26 0.00 0.00 64.21 64.88 1sqx n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sqx n ASP 80 N -1.23 0.17 -4.34 4.04 8.00 -1.23 -4.70 116.55 117.26 1sqx n ASP 80 Ca 0.10 0.52 -0.35 0.00 0.71 0.00 0.00 54.79 55.76 1sqx n ASP 80 Cb 0.13 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1sqx n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqx s ILE 81 N -3.03 3.52 0.74 0.53 1.01 -1.12 -5.13 121.20 117.73 1sqx s ILE 81 Ca 0.12 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1sqx s ILE 81 Cb 0.17 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1sqx s ILE 81 CO 0.51 0.42 1.10 -2.16 0.00 0.00 0.00 174.94 174.81 1sqx s PRO 82 N 1.37 2.39 -0.64 2.79 0.04 -1.26 -4.91 135.00 134.78 1sqx s PRO 82 Ca 0.04 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.10 1sqx s PRO 82 Cb -0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1sqx s PRO 82 CO -0.01 -1.55 1.95 -2.00 0.04 0.00 0.00 177.00 175.42 1sqx s GLU 83 N -4.59 2.52 0.00 4.56 2.12 -1.26 -3.03 118.70 119.02 1sqx s GLU 83 Ca 0.64 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.56 1sqx s GLU 83 Cb -0.19 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.69 1sqx s GLU 83 CO 0.51 -2.93 0.00 0.41 -0.54 0.00 0.00 175.26 172.71 1sqx n GLY 84 N 5.91 1.39 3.10 -1.50 0.00 -1.14 -4.74 105.19 108.21 1sqx n GLY 84 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1sqx n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqx s LYS 85 N 0.00 1.18 -0.14 1.61 -0.14 -1.17 -4.98 119.74 116.10 1sqx s LYS 85 Ca 0.00 -0.50 -0.18 0.00 -1.36 0.00 0.00 55.97 53.93 1sqx s LYS 85 Cb 0.00 -1.12 -0.04 0.00 -1.68 0.00 0.00 37.83 34.99 1sqx s LYS 85 CO 0.00 0.28 0.48 1.21 -0.76 0.00 0.00 175.35 176.56 1sqx s ASN 86 N -0.26 6.65 -0.17 2.83 2.47 -1.26 -2.60 114.94 122.60 1sqx s ASN 86 Ca 0.04 0.77 0.00 0.00 0.42 0.00 0.00 52.86 54.10 1sqx s ASN 86 Cb -0.06 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1sqx s ASN 86 CO -0.00 -0.03 -0.15 -0.32 -3.72 0.00 0.00 177.10 172.87 1sqx s MET 87 N 0.83 3.17 -0.62 0.43 1.75 -0.59 -5.01 119.30 119.26 1sqx s MET 87 Ca 0.25 -0.76 -0.19 0.00 -1.25 0.00 0.00 55.69 53.75 1sqx s MET 87 Cb -0.15 -2.65 0.11 0.00 2.84 0.00 0.00 34.83 34.98 1sqx s MET 87 CO 0.10 -0.06 0.73 0.00 -0.65 0.00 0.00 175.02 175.14 1sqx s ALA 88 N 1.01 3.43 0.19 4.11 0.00 -1.26 -3.26 121.76 125.98 1sqx s ALA 88 Ca -0.02 -2.29 0.04 0.00 0.00 0.00 0.00 51.96 49.69 1sqx s ALA 88 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1sqx s ALA 88 CO -0.03 -2.39 0.26 -0.06 0.00 0.00 0.00 175.76 173.53 1sqx s PHE 89 N 2.62 3.34 -0.16 0.00 0.08 -0.76 -4.96 117.98 118.14 1sqx s PHE 89 Ca 0.13 0.01 -0.16 0.00 0.12 0.00 0.00 56.93 57.04 1sqx s PHE 89 Cb -0.23 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1sqx s PHE 89 CO 0.05 0.50 0.37 0.21 -0.10 0.00 0.00 175.22 176.25 1sqx s LYS 90 N -3.50 4.25 -0.15 0.44 2.20 -1.26 -0.22 119.74 121.50 1sqx s LYS 90 Ca 0.33 0.22 -0.07 0.00 -0.36 0.00 0.00 55.97 56.09 1sqx s LYS 90 Cb -0.10 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1sqx s LYS 90 CO 0.27 0.13 0.34 -0.46 -0.36 0.00 0.00 175.35 175.27 1sqx s TRP 91 N 0.77 -0.53 -1.78 4.03 -0.00 -1.22 -4.89 118.94 115.33 1sqx s TRP 91 Ca 0.20 1.13 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 1sqx s TRP 91 Cb -0.14 0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.49 1sqx s TRP 91 CO 0.07 -0.34 0.00 0.54 -0.00 0.00 0.00 176.95 177.22 1sqx n ARG 92 N 4.61 -1.51 -0.16 5.86 1.74 -1.26 -1.96 116.66 123.97 1sqx n ARG 92 Ca -0.19 1.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1sqx n ARG 92 Cb 0.53 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 1sqx n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqx n GLY 93 N -0.18 1.21 3.02 -0.13 0.00 -1.26 -5.06 105.19 102.78 1sqx n GLY 93 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1sqx n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqx s LYS 94 N -0.52 0.82 0.39 1.61 -0.14 -0.83 -5.11 119.74 115.97 1sqx s LYS 94 Ca 0.00 -0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 54.02 1sqx s LYS 94 Cb 0.00 -0.78 -0.10 0.00 -1.68 0.00 0.00 37.83 35.27 1sqx s LYS 94 CO 0.00 0.17 1.42 -2.14 -0.76 0.00 0.00 175.35 174.03 1sqx s PRO 95 N -0.06 4.01 -0.14 -1.68 0.02 -1.26 -3.42 135.00 132.46 1sqx s PRO 95 Ca 0.01 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 1sqx s PRO 95 Cb -0.05 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 1sqx s PRO 95 CO -0.00 -0.55 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.88 1sqx s LEU 96 N -2.27 3.07 -0.37 -5.54 2.96 0.69 -0.51 118.68 116.72 1sqx s LEU 96 Ca 0.55 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1sqx s LEU 96 Cb -0.44 -1.72 0.07 0.00 0.50 0.00 0.00 46.19 44.60 1sqx s LEU 96 CO 0.58 0.17 0.14 -0.36 -1.32 0.00 0.00 176.35 175.56 1sqx s PHE 97 N 0.33 3.36 -0.27 5.38 0.08 0.90 -1.82 117.98 125.94 1sqx s PHE 97 Ca -0.06 -1.80 -0.11 0.00 0.12 0.00 0.00 56.93 55.07 1sqx s PHE 97 Cb -0.15 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 1sqx s PHE 97 CO 0.04 -0.84 0.21 0.08 -0.10 0.00 0.00 175.22 174.61 1sqx s VAL 98 N 1.31 5.30 -0.24 -0.44 1.01 -1.20 -1.07 120.40 125.07 1sqx s VAL 98 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1sqx s VAL 98 Cb -0.21 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1sqx s VAL 98 CO -0.00 0.26 -0.03 -0.60 0.00 0.00 0.00 175.10 174.73 1sqx s ARG 99 N 1.66 1.41 0.12 2.72 3.52 -0.80 -1.55 118.95 126.04 1sqx s ARG 99 Ca 0.08 -0.93 -0.31 0.00 -0.13 0.00 0.00 55.73 54.44 1sqx s ARG 99 Cb -0.16 -2.50 -0.08 0.00 -1.56 0.00 0.00 34.95 30.65 1sqx s ARG 99 CO 0.10 -0.64 1.36 -1.58 -0.81 0.00 0.00 175.30 173.73 1sqx s HIS 100 N 1.46 3.26 -0.14 5.12 5.65 -1.07 -2.61 115.29 126.97 1sqx s HIS 100 Ca -0.04 1.02 0.02 0.00 0.25 0.00 0.00 55.06 56.31 1sqx s HIS 100 Cb -0.18 -3.65 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 1sqx s HIS 100 CO -0.07 -2.23 -0.20 1.03 -0.65 0.00 0.00 174.74 172.62 1sqx s ARG 101 N 0.91 3.11 0.86 2.88 0.52 -0.74 -2.90 118.95 123.60 1sqx s ARG 101 Ca 0.63 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.91 1sqx s ARG 101 Cb -0.36 -2.49 0.11 0.00 0.52 0.00 0.00 34.95 32.73 1sqx s ARG 101 CO 0.31 0.03 1.09 0.95 0.02 0.00 0.00 175.30 177.71 1sqx s THR 102 N 0.73 2.77 0.33 0.02 -4.23 -1.26 -4.81 115.64 109.18 1sqx s THR 102 Ca -0.08 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1sqx s THR 102 Cb -0.16 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.09 1sqx s THR 102 CO 0.01 -0.33 1.96 0.50 -0.54 0.00 0.00 174.62 176.22 1sqx h LYS 103 N -1.40 0.82 -0.17 3.99 3.64 -2.00 -2.14 116.57 119.31 1sqx h LYS 103 Ca -0.49 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 58.74 1sqx h LYS 103 Cb 1.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1sqx h LYS 103 CO 0.56 0.61 -0.20 0.87 -2.27 0.00 0.00 179.45 179.02 1sqx h LYS 104 N 0.83 0.29 -0.19 1.90 6.56 -2.00 -2.63 116.57 121.34 1sqx h LYS 104 Ca 0.21 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.66 1sqx h LYS 104 Cb 0.02 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1sqx h LYS 104 CO -0.03 0.49 -0.12 0.93 -2.06 0.00 0.00 179.45 178.65 1sqx h GLU 105 N 0.27 0.41 -0.09 3.15 5.08 -1.77 -3.17 114.58 118.46 1sqx h GLU 105 Ca 0.05 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1sqx h GLU 105 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1sqx h GLU 105 CO 0.03 0.73 -0.42 0.82 -1.00 0.00 0.00 179.01 179.18 1sqx h ILE 106 N 0.08 1.31 -0.71 3.13 2.04 -1.51 -3.13 117.51 118.73 1sqx h ILE 106 Ca 0.04 -1.52 0.07 0.00 1.00 0.00 0.00 64.86 64.44 1sqx h ILE 106 Cb 0.63 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 1sqx h ILE 106 CO 0.03 0.45 0.40 0.44 0.00 0.00 0.00 178.15 179.47 1sqx h ASP 107 N 0.16 0.58 0.03 1.72 5.19 -1.50 -2.73 116.42 119.88 1sqx h ASP 107 Ca 0.01 0.04 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 1sqx h ASP 107 Cb 0.81 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.24 1sqx h ASP 107 CO 0.06 0.36 -0.61 -0.61 -3.12 0.00 0.00 179.24 175.32 1sqx h GLN 108 N 0.72 0.58 0.09 3.56 5.75 -1.52 -3.21 115.11 121.08 1sqx h GLN 108 Ca 0.33 -0.40 -0.27 0.00 -0.15 0.00 0.00 58.65 58.16 1sqx h GLN 108 Cb 0.23 0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.86 1sqx h GLN 108 CO -0.20 1.02 -1.16 0.93 -2.65 0.00 0.00 178.83 176.77 1sqx h GLU 109 N 0.43 0.43 -0.03 1.69 4.39 -1.52 -2.57 114.58 117.40 1sqx h GLU 109 Ca -0.01 -0.59 -0.11 0.00 0.34 0.00 0.00 59.36 59.00 1sqx h GLU 109 Cb 1.18 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1sqx h GLU 109 CO 0.12 1.24 -0.47 0.00 -1.16 0.00 0.00 179.01 178.73 1sqx h ALA 110 N 0.53 1.16 0.11 3.43 0.00 -1.63 -3.36 119.26 119.50 1sqx h ALA 110 Ca -0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 1sqx h ALA 110 Cb 1.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1sqx h ALA 110 CO 0.20 0.61 -1.54 0.00 0.00 0.00 0.00 179.25 178.52 1sqx h ALA 111 N 1.46 0.31 -2.51 0.00 0.00 -1.54 -3.48 119.26 113.51 1sqx h ALA 111 Ca 0.00 -1.14 -0.50 0.00 0.00 0.00 0.00 54.91 53.27 1sqx h ALA 111 Cb 0.86 0.29 0.08 0.00 0.00 0.00 0.00 17.79 19.02 1sqx h ALA 111 CO 0.06 1.18 0.40 0.54 0.00 0.00 0.00 179.25 181.44 1sqx s VAL 112 N -2.62 3.29 0.04 0.00 0.11 -0.97 -4.94 120.40 115.31 1sqx s VAL 112 Ca -0.09 0.71 -0.31 0.00 -2.93 0.00 0.00 61.98 59.37 1sqx s VAL 112 Cb 0.07 -3.24 -0.06 0.00 -1.53 0.00 0.00 36.38 31.61 1sqx s VAL 112 CO 0.85 -0.26 1.38 -1.61 -3.33 0.00 0.00 175.10 172.13 1sqx s GLU 113 N -3.63 4.31 0.20 1.54 2.02 -1.26 -4.94 118.70 116.93 1sqx s GLU 113 Ca 0.70 1.98 -0.05 0.00 0.02 0.00 0.00 54.97 57.62 1sqx s GLU 113 Cb -0.21 -3.46 0.13 0.00 0.10 0.00 0.00 34.13 30.68 1sqx s GLU 113 CO 0.32 -0.51 1.57 0.28 0.02 0.00 0.00 175.26 176.94 1sqx h VAL 114 N 4.69 1.28 -0.32 2.63 2.07 -1.92 -3.32 116.25 121.37 1sqx h VAL 114 Ca -0.39 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 1sqx h VAL 114 Cb 1.19 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1sqx h VAL 114 CO 0.88 0.49 -0.00 -1.28 0.02 0.00 0.00 177.57 177.68 1sqx h SER 115 N 0.62 0.45 0.19 0.57 0.87 -1.95 -3.25 113.55 111.05 1sqx h SER 115 Ca 0.06 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1sqx h SER 115 Cb 0.88 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1sqx h SER 115 CO 0.08 0.52 -0.27 0.00 -0.53 0.00 0.00 176.83 176.63 1sqx n GLN 116 N -4.29 0.94 -2.22 2.24 1.13 -1.25 -4.88 117.38 109.04 1sqx n GLN 116 Ca 0.01 -0.59 -0.33 0.00 -1.94 0.00 0.00 57.00 54.15 1sqx n GLN 116 Cb 0.23 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 1sqx n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sqx s LEU 117 N -2.47 3.62 0.25 1.08 1.43 -1.23 -5.00 118.68 116.37 1sqx s LEU 117 Ca 0.24 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1sqx s LEU 117 Cb 0.19 -4.54 0.32 0.00 0.03 0.00 0.00 46.19 42.19 1sqx s LEU 117 CO 0.51 -1.01 1.67 -0.09 0.23 0.00 0.00 176.35 177.66 1sqx h ARG 118 N 0.83 0.57 -4.44 1.70 2.43 -1.90 -3.39 114.38 110.17 1sqx h ARG 118 Ca -0.48 -0.23 -0.65 0.00 -0.81 0.00 0.00 59.98 57.81 1sqx h ARG 118 Cb 1.22 -0.02 -0.40 0.00 -0.42 0.00 0.00 29.97 30.34 1sqx h ARG 118 CO 0.58 0.79 -0.71 0.34 -1.51 0.00 0.00 179.97 179.46 1sqx s ASP 119 N -6.80 4.67 -0.60 -3.80 2.15 -1.26 -5.02 116.67 106.00 1sqx s ASP 119 Ca -0.08 -2.28 -0.27 0.00 0.43 0.00 0.00 52.55 50.35 1sqx s ASP 119 Cb 0.13 -1.61 -0.00 0.00 -0.30 0.00 0.00 42.92 41.15 1sqx s ASP 119 CO 0.81 -0.36 1.61 -2.16 -0.17 0.00 0.00 175.17 174.90 1sqx s PRO 120 N 0.73 2.99 0.01 4.34 0.04 -1.26 -4.87 135.00 136.97 1sqx s PRO 120 Ca 0.12 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1sqx s PRO 120 Cb -0.20 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 30.08 1sqx s PRO 120 CO -0.07 -2.32 -0.01 -0.65 0.04 0.00 0.00 177.00 173.98 1sqx s GLN 121 N 6.23 0.14 0.57 4.56 -0.21 -1.26 -5.09 119.66 124.60 1sqx s GLN 121 Ca 0.57 -0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.56 1sqx s GLN 121 Cb -0.12 0.00 -0.05 0.00 1.00 0.00 0.00 33.01 33.85 1sqx s GLN 121 CO 0.22 -0.01 1.08 -1.58 -2.12 0.00 0.00 175.29 172.88 1sqx s HIS 122 N -0.50 2.84 0.22 0.91 5.65 -1.26 -4.79 115.29 118.35 1sqx s HIS 122 Ca -0.05 1.54 -0.08 0.00 0.25 0.00 0.00 55.06 56.73 1sqx s HIS 122 Cb -0.03 -3.12 0.16 0.00 -1.18 0.00 0.00 32.58 28.41 1sqx s HIS 122 CO -0.00 -1.28 1.78 0.22 -0.65 0.00 0.00 174.74 174.81 1sqx h ASP 123 N 0.79 1.11 0.25 9.88 1.82 -1.94 -3.10 116.42 125.22 1sqx h ASP 123 Ca -0.48 -0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 55.94 1sqx h ASP 123 Cb 1.24 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1sqx h ASP 123 CO 0.57 0.98 -0.23 -0.07 -1.61 0.00 0.00 179.24 178.88 1sqx h LEU 124 N 1.17 0.00 -1.10 2.28 3.38 -1.92 -0.48 115.31 118.64 1sqx h LEU 124 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sqx h LEU 124 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sqx h LEU 124 CO -0.02 0.23 0.00 -1.84 0.09 0.00 0.00 178.44 176.90 1sqx n GLU 125 N -4.20 1.72 -0.00 1.13 0.28 -1.22 -3.79 120.64 114.55 1sqx n GLU 125 Ca -0.02 -1.08 0.08 0.00 -0.16 0.00 0.00 57.16 55.97 1sqx n GLU 125 Cb 0.29 -1.37 -0.11 0.00 1.43 0.00 0.00 31.44 31.69 1sqx n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sqx n ARG 126 N 0.32 1.15 -4.63 3.44 1.74 -0.26 -4.98 116.66 113.45 1sqx n ARG 126 Ca 0.15 -0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 1sqx n ARG 126 Cb 0.31 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 1sqx n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1sqx s VAL 127 N -2.80 1.59 -0.20 1.55 -7.23 -0.78 -4.88 120.40 107.66 1sqx s VAL 127 Ca -0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 1sqx s VAL 127 Cb 0.11 -2.72 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 1sqx s VAL 127 CO 0.64 0.00 -0.28 0.29 -0.31 0.00 0.00 175.10 175.44 1sqx n LYS 128 N -1.00 0.46 -4.50 4.82 4.76 -1.26 -4.88 118.16 116.55 1sqx n LYS 128 Ca -0.08 0.20 -0.33 0.00 -2.87 0.00 0.00 58.31 55.22 1sqx n LYS 128 Cb 0.67 -1.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.44 1sqx n LYS 128 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sqx s LYS 129 N -2.49 3.34 0.10 1.97 1.02 -1.26 -5.05 119.74 117.37 1sqx s LYS 129 Ca -0.29 -0.69 0.15 0.00 0.02 0.00 0.00 55.97 55.17 1sqx s LYS 129 Cb 0.10 -2.72 0.68 0.00 -0.52 0.00 0.00 37.83 35.37 1sqx s LYS 129 CO 0.38 0.07 1.48 -2.30 -0.92 0.00 0.00 175.35 174.06 1sqx n PRO 130 N 3.95 0.07 0.00 -1.68 -0.02 -1.26 -1.70 135.00 134.36 1sqx n PRO 130 Ca -0.18 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1sqx n PRO 130 Cb 0.52 -1.65 0.31 0.00 -0.02 0.00 0.00 33.50 32.66 1sqx n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1sqx n GLU 131 N -1.78 0.49 -4.01 -0.52 0.00 -1.26 -4.81 120.64 108.75 1sqx n GLU 131 Ca 0.02 -0.29 -0.31 0.00 0.00 0.00 0.00 57.16 56.58 1sqx n GLU 131 Cb 0.15 -1.49 -0.15 0.00 0.00 0.00 0.00 31.44 29.94 1sqx n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1sqx s TRP 132 N -2.71 2.86 -0.29 -1.84 0.52 -0.69 -1.79 118.94 115.00 1sqx s TRP 132 Ca 0.19 -2.06 -0.09 0.00 0.02 0.00 0.00 56.10 54.16 1sqx s TRP 132 Cb 0.18 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1sqx s TRP 132 CO 0.60 -0.83 0.13 0.54 0.02 0.00 0.00 176.95 177.41 1sqx s VAL 133 N 1.24 4.49 -0.23 4.03 0.11 -1.07 -4.63 120.40 124.33 1sqx s VAL 133 Ca -0.08 -0.37 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 1sqx s VAL 133 Cb -0.19 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 1sqx s VAL 133 CO -0.06 0.14 0.08 -0.63 -3.33 0.00 0.00 175.10 171.30 1sqx s ILE 134 N 1.61 4.51 0.01 7.04 1.09 -1.26 -1.91 121.20 132.28 1sqx s ILE 134 Ca 0.05 -0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 1sqx s ILE 134 Cb -0.17 -3.09 -0.01 0.00 -1.06 0.00 0.00 42.46 38.14 1sqx s ILE 134 CO 0.05 0.36 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.45 1sqx s LEU 135 N 1.30 2.07 -0.13 2.97 1.43 -0.23 -4.44 118.68 121.65 1sqx s LEU 135 Ca 0.05 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1sqx s LEU 135 Cb -0.15 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1sqx s LEU 135 CO 0.04 -0.03 1.50 -0.63 0.23 0.00 0.00 176.35 177.47 1sqx s ILE 136 N -0.44 3.86 -0.14 -0.59 1.01 -0.61 -0.07 121.20 124.22 1sqx s ILE 136 Ca -0.02 1.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.59 1sqx s ILE 136 Cb -0.04 -3.71 -0.25 0.00 0.01 0.00 0.00 42.46 38.48 1sqx s ILE 136 CO -0.00 -0.15 3.56 0.61 0.00 0.00 0.00 174.94 178.96 1sqx n GLY 137 N 4.07 3.13 2.98 6.18 0.00 0.33 -4.32 105.19 117.56 1sqx n GLY 137 Ca 0.16 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1sqx n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqx s VAL 138 N 1.02 1.53 0.22 1.61 1.01 -1.26 -4.25 120.40 120.28 1sqx s VAL 138 Ca 0.67 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1sqx s VAL 138 Cb 0.31 -1.59 -0.11 0.00 0.00 0.00 0.00 36.38 34.98 1sqx s VAL 138 CO -0.01 0.21 1.66 0.00 0.00 0.00 0.00 175.10 176.96 1sqx n THR 140 N 3.50 0.56 0.00 0.00 -2.24 -1.26 -2.19 114.28 112.65 1sqx n THR 140 Ca 0.13 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1sqx n THR 140 Cb 0.36 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1sqx n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1sqx n HIS 141 N -1.41 0.00 -1.46 4.78 -0.00 -1.26 -4.54 115.22 111.33 1sqx n HIS 141 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1sqx n HIS 141 Cb 0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1sqx n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sqx n LEU 142 N -0.95 0.07 0.00 0.27 4.77 -1.25 -4.99 117.00 114.92 1sqx n LEU 142 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1sqx n LEU 142 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1sqx n LEU 142 CO 0.00 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1sqx n GLY 143 N -0.03 0.99 3.88 -0.72 0.00 -0.93 -5.05 105.19 103.33 1sqx n GLY 143 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1sqx n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqx s VAL 145 N -3.20 4.61 0.31 0.00 1.01 -1.26 -0.65 120.40 121.22 1sqx s VAL 145 Ca 0.55 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 1sqx s VAL 145 Cb -0.11 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 1sqx s VAL 145 CO 0.52 -0.56 1.46 -2.84 0.00 0.00 0.00 175.10 173.68 1sqx s PRO 146 N 3.42 4.20 0.10 2.72 0.02 -1.26 -4.68 135.00 139.52 1sqx s PRO 146 Ca 0.36 2.43 -0.27 0.00 0.02 0.00 0.00 61.00 63.54 1sqx s PRO 146 Cb -0.12 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 1sqx s PRO 146 CO 0.20 -0.46 0.86 0.42 -0.33 0.00 0.00 177.00 177.68 1sqx s ILE 147 N -0.56 4.56 0.31 2.83 1.01 0.92 -4.86 121.20 125.42 1sqx s ILE 147 Ca 0.56 1.84 -0.29 0.00 0.00 0.00 0.00 60.65 62.76 1sqx s ILE 147 Cb -0.44 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 37.71 1sqx s ILE 147 CO 0.52 0.37 1.44 0.00 0.00 0.00 0.00 174.94 177.27 1sqx s ALA 148 N -0.22 3.60 -1.19 9.38 0.00 -1.26 -2.21 121.76 129.85 1sqx s ALA 148 Ca 0.42 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.73 1sqx s ALA 148 Cb -0.22 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.34 1sqx s ALA 148 CO 0.27 -0.83 0.80 0.09 0.00 0.00 0.00 175.76 176.08 1sqx n ASN 149 N 1.42 -5.54 -4.23 0.00 3.02 -0.70 -4.95 115.26 104.29 1sqx n ASN 149 Ca 0.04 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.08 1sqx n ASN 149 Cb 0.40 -4.23 -0.10 0.00 -0.61 0.00 0.00 39.78 35.23 1sqx n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqx s ALA 150 N -3.19 1.35 0.00 5.41 0.00 -1.26 -4.97 121.76 119.11 1sqx s ALA 150 Ca 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1sqx s ALA 150 Cb -0.18 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1sqx s ALA 150 CO 0.49 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1sqx n GLY 151 N -0.01 -2.07 0.60 0.00 0.00 -1.26 -2.91 105.19 99.55 1sqx n GLY 151 Ca -0.12 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1sqx n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqx n ASP 152 N 0.84 2.78 -0.77 1.61 8.00 -1.26 -4.09 116.55 123.67 1sqx n ASP 152 Ca 0.00 -1.94 0.05 0.00 0.71 0.00 0.00 54.79 53.62 1sqx n ASP 152 Cb 0.00 -0.20 0.12 0.00 -0.02 0.00 0.00 41.12 41.02 1sqx n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sqx n PHE 153 N 0.50 0.00 -1.06 1.24 3.72 -1.26 -5.03 117.46 115.57 1sqx n PHE 153 Ca 0.11 -0.97 -0.02 0.00 -0.05 0.00 0.00 57.45 56.52 1sqx n PHE 153 Cb 0.40 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.75 1sqx n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqx n GLY 154 N -0.58 0.40 0.18 1.37 0.00 -1.26 -3.97 105.19 101.33 1sqx n GLY 154 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sqx n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqx n GLY 155 N -0.96 0.18 3.01 -0.02 0.00 -1.24 -4.61 105.19 101.55 1sqx n GLY 155 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1sqx n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqx s TYR 156 N -0.15 -0.13 -0.10 1.61 2.02 -0.53 -1.71 117.35 118.35 1sqx s TYR 156 Ca 0.00 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1sqx s TYR 156 Cb 0.00 0.04 0.02 0.00 -0.40 0.00 0.00 41.96 41.62 1sqx s TYR 156 CO 0.00 -0.08 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.33 1sqx s TYR 157 N -0.01 1.55 -0.23 2.71 5.04 -0.94 -0.07 117.35 125.40 1sqx s TYR 157 Ca -0.01 -0.73 -0.25 0.00 -2.44 0.00 0.00 57.07 53.64 1sqx s TYR 157 Cb -0.01 -1.22 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 1sqx s TYR 157 CO 0.00 -0.46 0.84 0.00 -1.34 0.00 0.00 175.55 174.60 1sqx n PRO 159 N 5.87 1.41 -0.04 0.00 -0.04 -1.26 -2.77 135.00 138.17 1sqx n PRO 159 Ca 0.06 -0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 62.77 1sqx n PRO 159 Cb 0.48 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1sqx n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqx n HIS 161 N -4.70 0.00 -2.28 0.00 8.25 -1.26 -5.04 115.22 110.18 1sqx n HIS 161 Ca -0.08 -0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.31 1sqx n HIS 161 Cb 0.36 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1sqx n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqx n GLY 162 N 0.06 0.63 3.67 -1.41 0.00 -1.15 -4.50 105.19 102.49 1sqx n GLY 162 Ca 0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1sqx n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqx s SER 163 N -3.04 7.11 -0.33 1.61 0.01 -1.11 -3.86 113.70 114.09 1sqx s SER 163 Ca 0.01 1.38 -0.09 0.00 1.31 0.00 0.00 55.95 58.56 1sqx s SER 163 Cb -0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1sqx s SER 163 CO 0.03 -0.53 0.14 -1.00 0.41 0.00 0.00 173.24 172.29 1sqx s HIS 164 N 2.55 3.21 0.08 2.43 0.09 0.56 -1.30 115.29 122.91 1sqx s HIS 164 Ca 0.44 -0.97 0.03 0.00 -0.00 0.00 0.00 55.06 54.56 1sqx s HIS 164 Cb -0.16 -2.34 -0.04 0.00 -0.00 0.00 0.00 32.58 30.03 1sqx s HIS 164 CO 0.12 -0.60 0.10 0.71 -0.00 0.00 0.00 174.74 175.06 1sqx s TYR 165 N 1.52 3.22 0.50 1.40 1.51 0.90 -1.00 117.35 125.40 1sqx s TYR 165 Ca 0.02 0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 1sqx s TYR 165 Cb -0.18 -1.62 0.10 0.00 -0.11 0.00 0.00 41.96 40.15 1sqx s TYR 165 CO 0.05 0.53 0.68 -0.40 -1.11 0.00 0.00 175.55 175.29 1sqx n ASP 166 N 0.37 0.60 0.00 2.29 5.68 -0.73 -1.46 116.55 123.30 1sqx n ASP 166 Ca -0.08 -1.58 0.11 0.00 -0.50 0.00 0.00 54.79 52.74 1sqx n ASP 166 Cb 0.52 -0.47 0.58 0.00 -1.14 0.00 0.00 41.12 40.61 1sqx n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqx n ALA 167 N -3.12 2.18 0.50 2.12 0.00 -1.25 -1.71 120.51 119.22 1sqx n ALA 167 Ca -0.11 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1sqx n ALA 167 Cb 0.36 -1.37 0.33 0.00 0.00 0.00 0.00 19.45 18.77 1sqx n ALA 167 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sqx h SER 168 N 0.00 0.00 0.00 0.00 0.87 -1.94 -3.48 113.55 109.01 1sqx h SER 168 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1sqx h SER 168 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1sqx h SER 168 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1sqx n GLY 169 N 1.25 0.67 3.76 5.77 0.00 -0.70 -4.93 105.19 111.01 1sqx n GLY 169 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1sqx n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqx s ARG 170 N -0.31 4.52 0.14 1.61 0.52 -1.26 -1.32 118.95 122.85 1sqx s ARG 170 Ca 0.00 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.01 1sqx s ARG 170 Cb 0.00 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.09 1sqx s ARG 170 CO 0.00 0.43 1.22 -1.50 0.02 0.00 0.00 175.30 175.47 1sqx s ILE 171 N -0.61 3.69 0.00 1.52 1.10 -1.26 -1.78 121.20 123.85 1sqx s ILE 171 Ca 0.37 1.32 0.00 0.00 -0.51 0.00 0.00 60.65 61.83 1sqx s ILE 171 Cb -0.22 -3.84 0.00 0.00 0.15 0.00 0.00 42.46 38.55 1sqx s ILE 171 CO 0.24 0.16 0.00 0.54 -2.11 0.00 0.00 174.94 173.78 1sqx n ARG 172 N 3.13 0.00 -4.04 3.50 5.12 -0.17 -4.47 116.66 119.73 1sqx n ARG 172 Ca 0.07 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 1sqx n ARG 172 Cb 0.45 -0.65 -0.11 0.00 -1.16 0.00 0.00 32.46 30.98 1sqx n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1sqx s LYS 173 N -1.90 0.47 0.29 5.56 2.20 -1.10 -4.98 119.74 120.29 1sqx s LYS 173 Ca 0.00 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 1sqx s LYS 173 Cb 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1sqx s LYS 173 CO 0.00 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1sqx n GLY 174 N 1.39 -1.79 0.11 5.54 0.00 -1.25 -0.32 105.19 108.86 1sqx n GLY 174 Ca -0.22 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1sqx n GLY 174 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sqx h PRO 175 N 0.00 0.00 -6.71 1.61 0.11 -1.80 -3.48 132.00 121.72 1sqx h PRO 175 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1sqx h PRO 175 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 1sqx h PRO 175 CO 0.00 0.58 0.93 0.00 -0.21 0.00 0.00 178.00 179.30 1sqx s ALA 176 N -2.87 3.82 0.21 -0.75 0.00 -1.26 -4.95 121.76 115.97 1sqx s ALA 176 Ca 0.01 1.54 0.08 0.00 0.00 0.00 0.00 51.96 53.58 1sqx s ALA 176 Cb 0.08 -3.66 0.14 0.00 0.00 0.00 0.00 23.12 19.69 1sqx s ALA 176 CO 0.78 -0.91 1.48 -1.00 0.00 0.00 0.00 175.76 176.11 1sqx h PRO 177 N 5.93 0.05 -4.83 0.00 0.13 -1.93 -3.48 132.00 127.88 1sqx h PRO 177 Ca -0.45 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 1sqx h PRO 177 Cb 1.21 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1sqx h PRO 177 CO 0.88 0.78 -0.71 -0.51 -0.23 0.00 0.00 178.00 178.21 1sqx s LEU 178 N -7.38 2.47 0.57 1.56 1.43 -1.26 -4.58 118.68 111.49 1sqx s LEU 178 Ca -0.01 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 1sqx s LEU 178 Cb 0.11 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1sqx s LEU 178 CO 0.79 -0.36 1.12 0.20 0.23 0.00 0.00 176.35 178.34 1sqx s ASN 179 N -2.79 5.59 0.48 2.29 0.01 -1.26 -4.51 114.94 114.75 1sqx s ASN 179 Ca 0.09 2.12 -0.24 0.00 -0.71 0.00 0.00 52.86 54.13 1sqx s ASN 179 Cb 0.01 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.02 1sqx s ASN 179 CO -0.02 -1.31 1.28 0.18 -1.51 0.00 0.00 177.10 175.72 1sqx n LEU 180 N -1.59 4.56 -4.61 0.60 4.77 -0.43 -4.83 117.00 115.46 1sqx n LEU 180 Ca 0.11 1.04 -0.43 0.00 -0.03 0.00 0.00 56.01 56.70 1sqx n LEU 180 Cb 0.51 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1sqx n LEU 180 CO 0.44 -0.71 1.80 -1.61 -1.33 0.00 0.00 177.39 175.98 1sqx s GLU 181 N -2.50 3.30 -0.27 3.23 2.02 -1.26 -4.90 118.70 118.32 1sqx s GLU 181 Ca 0.66 2.11 -0.29 0.00 0.02 0.00 0.00 54.97 57.47 1sqx s GLU 181 Cb -0.46 -4.33 0.01 0.00 0.10 0.00 0.00 34.13 29.44 1sqx s GLU 181 CO 0.54 -1.91 1.18 0.08 0.02 0.00 0.00 175.26 175.17 1sqx s VAL 182 N 7.63 4.36 0.75 2.63 1.01 -1.26 -1.57 120.40 133.95 1sqx s VAL 182 Ca 0.98 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 64.43 1sqx s VAL 182 Cb -0.34 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 31.84 1sqx s VAL 182 CO 0.36 -0.38 1.08 -2.84 0.00 0.00 0.00 175.10 173.32 1sqx s PRO 183 N 3.74 2.51 0.00 2.72 0.02 -1.26 -5.01 135.00 137.72 1sqx s PRO 183 Ca 0.51 0.77 -0.30 0.00 0.02 0.00 0.00 61.00 61.99 1sqx s PRO 183 Cb -0.16 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 1sqx s PRO 183 CO 0.17 -1.36 1.37 -1.12 -0.33 0.00 0.00 177.00 175.73 1sqx s SER 184 N -3.88 6.88 0.10 2.53 0.01 -1.26 -5.02 113.70 113.06 1sqx s SER 184 Ca 0.59 2.09 -0.10 0.00 1.31 0.00 0.00 55.95 59.84 1sqx s SER 184 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1sqx s SER 184 CO 0.54 -0.69 0.24 -0.72 0.41 0.00 0.00 173.24 173.02 1sqx s TYR 185 N 2.27 0.10 0.04 2.43 -0.85 -1.26 -0.64 117.35 119.43 1sqx s TYR 185 Ca 0.63 -0.51 -0.05 0.00 -0.52 0.00 0.00 57.07 56.62 1sqx s TYR 185 Cb -0.31 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.02 1sqx s TYR 185 CO 0.26 -0.59 0.08 -1.83 -1.52 0.00 0.00 175.55 171.96 1sqx s GLU 186 N -3.86 0.56 -0.15 -3.49 -1.05 -0.62 -4.99 118.70 105.11 1sqx s GLU 186 Ca 0.05 -0.76 -0.19 0.00 -0.15 0.00 0.00 54.97 53.93 1sqx s GLU 186 Cb 0.04 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1sqx s GLU 186 CO -0.10 -0.14 0.51 -0.06 0.95 0.00 0.00 175.26 176.42 1sqx s PHE 187 N -2.55 3.46 0.09 4.83 0.08 -1.26 -1.75 117.98 120.87 1sqx s PHE 187 Ca -0.05 0.87 -0.14 0.00 0.12 0.00 0.00 56.93 57.73 1sqx s PHE 187 Cb -0.02 -2.62 -0.16 0.00 -0.57 0.00 0.00 43.02 39.65 1sqx s PHE 187 CO -0.04 0.05 1.28 1.15 -0.10 0.00 0.00 175.22 177.56 1sqx h THR 188 N 4.89 1.30 0.00 0.64 2.02 -1.93 -3.46 112.91 116.37 1sqx h THR 188 Ca -0.38 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1sqx h THR 188 Cb 1.17 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1sqx h THR 188 CO 0.75 0.61 0.00 -1.54 0.37 0.00 0.00 175.52 175.71 1sqx n SER 189 N -4.01 0.00 0.00 4.18 3.41 -1.26 -5.04 113.62 110.90 1sqx n SER 189 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1sqx n SER 189 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1sqx n SER 189 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sqx n ASP 190 N -0.20 0.00 0.06 4.04 5.75 -1.26 -4.90 116.55 120.03 1sqx n ASP 190 Ca 0.00 -1.00 -0.19 0.00 -0.01 0.00 0.00 54.79 53.59 1sqx n ASP 190 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1sqx n ASP 190 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1sqx h ASP 191 N 0.00 0.47 -4.43 -1.12 2.03 -1.99 -3.47 116.42 107.91 1sqx h ASP 191 Ca 0.00 -0.72 -0.41 0.00 -0.73 0.00 0.00 57.03 55.16 1sqx h ASP 191 Cb 0.72 -0.15 -0.21 0.00 -0.83 0.00 0.00 39.33 38.85 1sqx h ASP 191 CO 0.00 1.61 -0.78 -0.04 -1.03 0.00 0.00 179.24 179.01 1sqx s MET 192 N -2.59 0.84 -0.13 4.15 -1.94 -1.26 -1.80 119.30 116.57 1sqx s MET 192 Ca -0.13 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 52.88 1sqx s MET 192 Cb 0.06 -0.83 0.01 0.00 2.01 0.00 0.00 34.83 36.08 1sqx s MET 192 CO 0.84 0.18 -0.18 0.54 -0.01 0.00 0.00 175.02 176.39 1sqx s VAL 193 N -1.39 1.77 -0.18 -6.03 0.11 -0.95 -2.90 120.40 110.84 1sqx s VAL 193 Ca -0.01 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1sqx s VAL 193 Cb -0.09 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1sqx s VAL 193 CO 0.02 0.49 -0.01 -0.51 -3.33 0.00 0.00 175.10 171.76 1sqx s ILE 194 N 0.96 3.97 -0.22 7.04 2.07 -0.72 -2.71 121.20 131.59 1sqx s ILE 194 Ca -0.06 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 1sqx s ILE 194 Cb -0.15 -2.77 0.05 0.00 0.13 0.00 0.00 42.46 39.72 1sqx s ILE 194 CO -0.03 0.46 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.65 1sqx s VAL 195 N 0.66 1.90 0.00 4.00 1.01 -1.21 -1.58 120.40 125.17 1sqx s VAL 195 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1sqx s VAL 195 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1sqx s VAL 195 CO 0.02 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87