#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqs s PRO 2 N 0.00 3.27 -0.74 0.00 0.02 -1.26 -4.86 135.00 131.43 1wqs s PRO 2 Ca 0.00 2.09 -0.24 0.00 0.02 0.00 0.00 61.00 62.87 1wqs s PRO 2 Cb 0.00 -2.26 -0.18 0.00 0.02 0.00 0.00 34.50 32.07 1wqs s PRO 2 CO 0.00 -1.04 1.88 -2.30 -0.33 0.00 0.00 177.00 175.21 1wqs n PRO 3 N -0.95 1.23 -0.12 5.54 -0.02 -1.26 -4.21 135.00 135.21 1wqs n PRO 3 Ca 0.10 -1.83 -0.23 0.00 -2.02 0.00 0.00 63.50 59.52 1wqs n PRO 3 Cb 0.46 -3.05 -0.11 0.00 -0.02 0.00 0.00 33.50 30.78 1wqs n PRO 3 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1wqs n THR 4 N 6.64 1.54 0.21 3.45 -1.04 -1.26 -3.98 114.28 119.83 1wqs n THR 4 Ca 0.48 -0.46 0.07 0.00 -2.04 0.00 0.00 64.05 62.10 1wqs n THR 4 Cb 0.42 -1.69 0.45 0.00 -1.82 0.00 0.00 70.33 67.69 1wqs n THR 4 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1wqs h LEU 5 N -0.48 0.00 -0.09 -4.42 5.85 -1.97 -2.78 115.31 111.41 1wqs h LEU 5 Ca -0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1wqs h LEU 5 Cb 1.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1wqs h LEU 5 CO -0.22 0.30 -0.20 0.79 -0.34 0.00 0.00 178.44 178.77 1wqs n TRP 6 N -3.70 0.00 0.31 1.25 7.02 -1.26 -2.05 117.44 119.02 1wqs n TRP 6 Ca -0.01 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.61 1wqs n TRP 6 Cb 0.40 -0.30 0.47 0.00 -2.42 0.00 0.00 31.31 29.46 1wqs n TRP 6 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1wqs h SER 7 N 0.22 0.00 -0.11 -0.99 4.64 -1.62 -2.93 113.55 112.76 1wqs h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wqs h SER 7 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1wqs h SER 7 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1wqs n ARG 8 N -2.89 1.69 -3.50 4.77 1.74 -0.87 -4.54 116.66 113.06 1wqs n ARG 8 Ca 0.02 -1.02 -0.42 0.00 -0.77 0.00 0.00 57.85 55.66 1wqs n ARG 8 Cb 0.38 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 1wqs n ARG 8 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wqs s VAL 9 N -1.86 4.63 0.27 1.55 1.01 -1.11 -0.46 120.40 124.44 1wqs s VAL 9 Ca 0.34 -2.31 0.07 0.00 0.00 0.00 0.00 61.98 60.08 1wqs s VAL 9 Cb 0.19 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1wqs s VAL 9 CO 0.29 -0.90 0.25 0.68 0.00 0.00 0.00 175.10 175.42 1wqs s VAL 10 N 0.59 4.30 0.85 2.92 -7.23 -1.17 -4.97 120.40 115.68 1wqs s VAL 10 Ca 0.13 -1.33 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1wqs s VAL 10 Cb -0.20 -3.40 0.10 0.00 0.56 0.00 0.00 36.38 33.45 1wqs s VAL 10 CO -0.04 -0.30 1.11 -0.60 -0.31 0.00 0.00 175.10 174.96 1wqs s ARG 11 N -3.91 1.62 -0.29 4.82 3.52 -1.26 -1.85 118.95 121.59 1wqs s ARG 11 Ca 0.36 1.27 0.04 0.00 -0.13 0.00 0.00 55.73 57.26 1wqs s ARG 11 Cb -0.08 -1.82 0.15 0.00 -1.56 0.00 0.00 34.95 31.65 1wqs s ARG 11 CO 0.26 -2.12 1.09 0.34 -0.81 0.00 0.00 175.30 174.06 1wqs n PHE 12 N -3.86 -0.93 0.00 5.12 -0.00 -0.76 -4.64 117.46 112.40 1wqs n PHE 12 Ca 0.10 -0.97 0.00 0.00 -0.00 0.00 0.00 57.45 56.58 1wqs n PHE 12 Cb 0.53 1.22 0.00 0.00 -0.00 0.00 0.00 39.48 41.23 1wqs n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1wqs n GLY 13 N -0.55 0.25 0.27 7.13 0.00 -1.26 -3.93 105.19 107.10 1wqs n GLY 13 Ca -0.18 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1wqs n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wqs h SER 14 N 0.00 0.75 0.00 1.61 0.02 -1.93 -3.46 113.55 110.53 1wqs h SER 14 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wqs h SER 14 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1wqs h SER 14 CO 0.00 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1wqs n GLY 15 N -1.29 2.47 2.51 -3.77 0.00 -1.25 -4.84 105.19 99.01 1wqs n GLY 15 Ca 0.07 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1wqs n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wqs n TRP 16 N 0.00 -0.45 -3.86 1.61 7.02 -0.41 -1.82 117.44 119.53 1wqs n TRP 16 Ca 0.00 -2.14 -0.01 0.00 -1.02 0.00 0.00 57.50 54.33 1wqs n TRP 16 Cb 0.00 0.17 0.01 0.00 -2.42 0.00 0.00 31.31 29.07 1wqs n TRP 16 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1wqs s GLY 17 N -2.83 -0.05 -0.15 6.99 0.00 -0.77 -4.33 107.32 106.17 1wqs s GLY 17 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 1wqs s GLY 17 CO 0.19 2.69 0.33 -0.12 0.00 0.00 0.00 173.10 176.19 1wqs s PHE 18 N -2.29 -0.55 -0.42 1.90 2.19 0.74 -3.05 117.98 116.50 1wqs s PHE 18 Ca 0.22 1.16 -0.28 0.00 0.33 0.00 0.00 56.93 58.36 1wqs s PHE 18 Cb -0.01 0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.79 1wqs s PHE 18 CO 0.02 -0.38 1.90 -1.58 1.83 0.00 0.00 175.22 177.01 1wqs s TRP 19 N 2.25 1.66 -0.05 10.12 0.52 0.40 -3.20 118.94 130.64 1wqs s TRP 19 Ca -0.02 0.76 0.11 0.00 0.02 0.00 0.00 56.10 56.98 1wqs s TRP 19 Cb -0.11 -4.05 -0.23 0.00 -1.15 0.00 0.00 33.47 27.92 1wqs s TRP 19 CO -0.10 -2.77 0.66 -0.24 0.02 0.00 0.00 176.95 174.51 1wqs h VAL 20 N 6.94 0.85 -3.82 4.03 3.04 -1.71 -3.45 116.25 122.12 1wqs h VAL 20 Ca -0.31 -2.69 -0.29 0.00 -1.01 0.00 0.00 66.70 62.41 1wqs h VAL 20 Cb 1.18 2.43 -0.07 0.00 -2.01 0.00 0.00 31.29 32.82 1wqs h VAL 20 CO 1.10 0.52 -0.24 -1.20 -1.01 0.00 0.00 177.57 176.73 1wqs n SER 21 N -3.08 -0.71 -0.11 3.17 7.64 -1.19 0.55 113.62 119.89 1wqs n SER 21 Ca -0.18 -2.50 -0.24 0.00 1.01 0.00 0.00 58.87 56.97 1wqs n SER 21 Cb 1.05 1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 65.61 1wqs n SER 21 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wqs n PRO 22 N -0.44 0.58 -0.28 1.43 -0.04 -1.20 -3.84 135.00 131.21 1wqs n PRO 22 Ca 0.04 0.48 -0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1wqs n PRO 22 Cb 0.43 -1.68 0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1wqs n PRO 22 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1wqs h THR 23 N -0.94 1.01 -3.14 0.52 1.35 -1.83 -2.77 112.91 107.11 1wqs h THR 23 Ca -0.45 -0.29 -0.61 0.00 -0.55 0.00 0.00 66.41 64.51 1wqs h THR 23 Cb 1.43 0.09 -0.10 0.00 -1.73 0.00 0.00 68.15 67.84 1wqs h THR 23 CO -0.25 0.15 -0.41 -0.69 -0.25 0.00 0.00 175.52 174.07 1wqs s VAL 24 N -6.07 5.37 -0.15 6.82 1.01 -1.25 -1.92 120.40 124.20 1wqs s VAL 24 Ca -0.13 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1wqs s VAL 24 Cb 0.17 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 33.10 1wqs s VAL 24 CO 0.78 0.47 0.31 0.12 0.00 0.00 0.00 175.10 176.77 1wqs s PHE 25 N 0.03 -0.53 0.41 5.22 2.19 0.73 -1.90 117.98 124.13 1wqs s PHE 25 Ca 0.13 1.08 -0.25 0.00 0.33 0.00 0.00 56.93 58.23 1wqs s PHE 25 Cb -0.12 0.04 -0.08 0.00 -1.31 0.00 0.00 43.02 41.54 1wqs s PHE 25 CO 0.02 -0.41 1.14 0.42 1.83 0.00 0.00 175.22 178.22 1wqs s ILE 26 N 2.47 3.27 -0.06 3.12 1.01 -1.19 -0.91 121.20 128.91 1wqs s ILE 26 Ca 0.01 1.03 -0.31 0.00 0.00 0.00 0.00 60.65 61.38 1wqs s ILE 26 Cb -0.12 -3.56 0.11 0.00 0.01 0.00 0.00 42.46 38.90 1wqs s ILE 26 CO -0.10 0.06 1.06 0.28 0.00 0.00 0.00 174.94 176.24 1wqs s THR 27 N -1.48 0.00 -0.08 2.92 -1.32 -0.63 -0.19 115.64 114.86 1wqs s THR 27 Ca 0.58 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.71 1wqs s THR 27 Cb -0.28 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.44 1wqs s THR 27 CO 0.36 0.00 0.75 0.28 -2.21 0.00 0.00 174.62 173.79 1wqs s THR 28 N -2.80 5.00 0.36 5.08 -1.32 -1.26 -2.36 115.64 118.34 1wqs s THR 28 Ca 0.09 1.53 0.15 0.00 -1.21 0.00 0.00 61.69 62.24 1wqs s THR 28 Cb -0.00 -4.08 0.36 0.00 -1.51 0.00 0.00 72.50 67.26 1wqs s THR 28 CO -0.05 0.20 1.72 0.74 -2.21 0.00 0.00 174.62 175.02 1wqs h THR 29 N 4.85 0.45 0.00 5.08 2.02 -1.31 0.15 112.91 124.15 1wqs h THR 29 Ca -0.39 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1wqs h THR 29 Cb 1.19 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1wqs h THR 29 CO 0.77 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.74 1wqs n HIS 30 N -4.81 0.68 0.08 3.16 1.44 -1.26 -3.00 115.22 111.51 1wqs n HIS 30 Ca 0.28 0.25 0.07 0.00 -2.01 0.00 0.00 57.72 56.31 1wqs n HIS 30 Cb 0.89 -0.90 -0.02 0.00 0.12 0.00 0.00 29.99 30.08 1wqs n HIS 30 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1wqs h VAL 31 N 0.00 0.22 -2.42 0.61 3.04 -1.07 -3.45 116.25 113.18 1wqs h VAL 31 Ca 0.00 -1.43 -0.59 0.00 -1.01 0.00 0.00 66.70 63.68 1wqs h VAL 31 Cb 0.43 1.76 0.07 0.00 -2.01 0.00 0.00 31.29 31.53 1wqs h VAL 31 CO 0.00 0.13 0.72 -0.38 -1.01 0.00 0.00 177.57 177.03 1wqs n ILE 32 N -2.80 0.37 -2.33 3.17 2.08 -1.16 -3.47 119.36 115.22 1wqs n ILE 32 Ca -0.03 -0.09 -0.35 0.00 0.56 0.00 0.00 62.75 62.83 1wqs n ILE 32 Cb 0.67 -1.50 -0.01 0.00 -0.75 0.00 0.00 39.64 38.05 1wqs n ILE 32 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wqs s PRO 33 N 0.37 3.53 -0.16 0.38 0.04 -1.26 -4.84 135.00 133.06 1wqs s PRO 33 Ca 0.75 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 1wqs s PRO 33 Cb -0.67 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1wqs s PRO 33 CO 0.43 -0.70 0.42 -2.37 0.04 0.00 0.00 177.00 174.81 1wqs n THR 34 N -1.07 0.00 0.00 1.26 5.66 -1.26 -4.29 114.28 114.58 1wqs n THR 34 Ca 0.10 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1wqs n THR 34 Cb 0.51 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1wqs n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wqs n GLY 35 N 1.01 0.00 1.80 1.09 0.00 -1.26 -5.04 105.19 102.79 1wqs n GLY 35 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1wqs n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wqs n VAL 36 N 0.00 0.56 0.00 1.61 0.24 -1.26 -5.06 118.33 114.41 1wqs n VAL 36 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1wqs n VAL 36 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1wqs n VAL 36 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wqs n ARG 37 N 0.65 0.00 -3.84 7.34 0.63 -1.26 -4.90 116.66 115.28 1wqs n ARG 37 Ca 0.10 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.68 1wqs n ARG 37 Cb 0.09 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.91 1wqs n ARG 37 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1wqs s GLU 38 N 0.00 4.10 -0.08 -0.14 4.04 -1.26 -1.46 118.70 123.91 1wqs s GLU 38 Ca 0.00 -0.27 -0.04 0.00 0.04 0.00 0.00 54.97 54.70 1wqs s GLU 38 Cb 0.00 -3.34 0.04 0.00 0.02 0.00 0.00 34.13 30.85 1wqs s GLU 38 CO 0.00 0.30 0.18 -0.59 -1.84 0.00 0.00 175.26 173.31 1wqs s PHE 39 N 0.34 -0.22 -0.85 4.83 -0.12 1.12 -4.69 117.98 118.38 1wqs s PHE 39 Ca 0.06 0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 1wqs s PHE 39 Cb -0.12 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.25 1wqs s PHE 39 CO -0.01 -0.17 0.72 1.19 -0.05 0.00 0.00 175.22 176.89 1wqs n PHE 40 N 3.93 -1.66 -0.46 3.49 3.72 -1.26 -1.19 117.46 124.03 1wqs n PHE 40 Ca -0.23 0.67 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1wqs n PHE 40 Cb 0.54 -4.10 0.00 0.00 -0.94 0.00 0.00 39.48 34.98 1wqs n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wqs n GLY 41 N -1.15 0.02 3.96 1.37 0.00 -1.26 -4.96 105.19 103.16 1wqs n GLY 41 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1wqs n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wqs s GLU 42 N -0.91 3.41 0.07 1.61 8.01 -0.33 -5.07 118.70 125.49 1wqs s GLU 42 Ca 0.00 -0.64 0.04 0.00 0.01 0.00 0.00 54.97 54.38 1wqs s GLU 42 Cb 0.00 -2.80 -0.04 0.00 -4.31 0.00 0.00 34.13 26.98 1wqs s GLU 42 CO 0.00 0.28 -0.01 -1.25 0.01 0.00 0.00 175.26 174.30 1wqs s PRO 43 N -4.12 2.59 0.23 0.39 0.04 -1.26 0.36 135.00 133.22 1wqs s PRO 43 Ca 0.37 -0.79 0.11 0.00 0.04 0.00 0.00 61.00 60.73 1wqs s PRO 43 Cb -0.09 -2.56 0.78 0.00 0.04 0.00 0.00 34.50 32.67 1wqs s PRO 43 CO 0.32 0.56 1.02 1.51 0.04 0.00 0.00 177.00 180.45 1wqs n ILE 44 N 0.80 -0.27 0.37 0.56 3.06 -0.53 0.40 119.36 123.75 1wqs n ILE 44 Ca -0.12 1.34 0.13 0.00 -2.50 0.00 0.00 62.75 61.60 1wqs n ILE 44 Cb 0.52 -2.12 0.30 0.00 0.54 0.00 0.00 39.64 38.88 1wqs n ILE 44 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1wqs h GLU 45 N 0.00 0.00 -0.16 9.51 4.81 -1.97 -3.11 114.58 123.66 1wqs h GLU 45 Ca 0.51 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.77 1wqs h GLU 45 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1wqs h GLU 45 CO -0.52 0.00 0.11 0.77 -0.73 0.00 0.00 179.01 178.64 1wqs h SER 46 N 0.00 0.10 -3.60 1.04 0.02 -0.43 -3.40 113.55 107.28 1wqs h SER 46 Ca 0.00 -0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1wqs h SER 46 Cb 0.85 -0.02 -0.23 0.00 0.14 0.00 0.00 62.40 63.14 1wqs h SER 46 CO 0.00 0.07 -0.63 -0.63 -1.14 0.00 0.00 176.83 174.50 1wqs s ILE 47 N -5.16 4.24 -0.63 3.27 1.09 -1.17 -3.76 121.20 119.08 1wqs s ILE 47 Ca -0.06 -0.20 -0.04 0.00 -1.10 0.00 0.00 60.65 59.25 1wqs s ILE 47 Cb 0.18 -2.97 0.16 0.00 -1.06 0.00 0.00 42.46 38.77 1wqs s ILE 47 CO 0.69 0.36 0.46 0.00 -0.10 0.00 0.00 174.94 176.35 1wqs s ALA 48 N 1.52 3.61 -0.54 9.38 0.00 0.20 -4.88 121.76 131.05 1wqs s ALA 48 Ca 0.06 -3.21 -0.38 0.00 0.00 0.00 0.00 51.96 48.43 1wqs s ALA 48 Cb -0.15 -2.75 -0.16 0.00 0.00 0.00 0.00 23.12 20.05 1wqs s ALA 48 CO 0.03 -2.10 2.27 -0.89 0.00 0.00 0.00 175.76 175.07 1wqs n ILE 49 N 3.64 0.06 -2.59 0.00 2.08 -1.26 -2.02 119.36 119.27 1wqs n ILE 49 Ca 0.07 -0.13 -0.14 0.00 0.56 0.00 0.00 62.75 63.11 1wqs n ILE 49 Cb 0.39 -1.02 0.02 0.00 -0.75 0.00 0.00 39.64 38.28 1wqs n ILE 49 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1wqs n HIS 50 N 9.32 1.91 -1.52 1.39 -0.00 -1.24 -4.99 115.22 120.10 1wqs n HIS 50 Ca 0.51 -2.73 -0.50 0.00 0.46 0.00 0.00 57.72 55.47 1wqs n HIS 50 Cb 0.10 -0.27 -0.04 0.00 -0.12 0.00 0.00 29.99 29.65 1wqs n HIS 50 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1wqs n ARG 51 N -0.31 0.65 -3.15 1.57 0.63 -1.26 -4.55 116.66 110.24 1wqs n ARG 51 Ca 0.20 0.23 0.06 0.00 -0.92 0.00 0.00 57.85 57.41 1wqs n ARG 51 Cb 0.79 -1.58 -0.01 0.00 0.45 0.00 0.00 32.46 32.12 1wqs n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wqs s ALA 52 N -0.49 -3.95 0.00 5.13 0.00 -0.36 -4.97 121.76 117.12 1wqs s ALA 52 Ca 0.72 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1wqs s ALA 52 Cb -0.93 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wqs s ALA 52 CO 0.55 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1wqs n GLY 53 N 5.22 1.02 0.51 0.00 0.00 -1.26 -3.94 105.19 106.74 1wqs n GLY 53 Ca 0.04 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.63 1wqs n GLY 53 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wqs n GLU 54 N 0.00 1.65 -3.37 1.61 4.07 -1.26 -4.80 120.64 118.54 1wqs n GLU 54 Ca 0.00 -1.02 -0.35 0.00 -0.06 0.00 0.00 57.16 55.73 1wqs n GLU 54 Cb 0.00 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 29.84 1wqs n GLU 54 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1wqs s PHE 55 N -2.05 3.60 -0.10 4.31 5.36 -1.25 -0.87 117.98 126.97 1wqs s PHE 55 Ca 0.36 1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 57.33 1wqs s PHE 55 Cb 0.21 -2.36 0.05 0.00 -0.34 0.00 0.00 43.02 40.58 1wqs s PHE 55 CO 0.35 0.43 0.20 0.99 -1.46 0.00 0.00 175.22 175.73 1wqs s THR 56 N -1.47 -0.30 0.57 0.12 2.01 -1.00 -1.22 115.64 114.37 1wqs s THR 56 Ca 0.38 0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.78 1wqs s THR 56 Cb -0.15 -0.34 0.08 0.00 0.01 0.00 0.00 72.50 72.10 1wqs s THR 56 CO 0.19 0.13 0.74 -1.10 -0.69 0.00 0.00 174.62 173.89 1wqs s GLN 57 N 2.25 2.28 -0.16 4.92 -0.21 -1.26 -1.60 119.66 125.87 1wqs s GLN 57 Ca 0.01 -1.71 -0.09 0.00 0.02 0.00 0.00 55.36 53.59 1wqs s GLN 57 Cb -0.12 -2.56 0.06 0.00 1.00 0.00 0.00 33.01 31.39 1wqs s GLN 57 CO -0.07 -0.84 0.39 -0.06 -2.12 0.00 0.00 175.29 172.59 1wqs s PHE 58 N -2.69 -0.57 0.04 0.91 0.40 -0.09 -3.61 117.98 112.36 1wqs s PHE 58 Ca 0.58 1.23 0.06 0.00 -0.60 0.00 0.00 56.93 58.20 1wqs s PHE 58 Cb -0.05 0.24 -0.03 0.00 0.51 0.00 0.00 43.02 43.69 1wqs s PHE 58 CO 0.36 -0.33 -0.13 0.50 0.70 0.00 0.00 175.22 176.32 1wqs s ARG 59 N 1.36 2.22 0.27 0.44 6.06 -0.86 -0.19 118.95 128.25 1wqs s ARG 59 Ca -0.09 -0.91 0.04 0.00 -2.50 0.00 0.00 55.73 52.27 1wqs s ARG 59 Cb -0.08 -2.30 -0.06 0.00 0.06 0.00 0.00 34.95 32.57 1wqs s ARG 59 CO -0.12 0.55 0.01 -0.06 -2.50 0.00 0.00 175.30 173.18 1wqs s PHE 60 N -0.99 1.77 -0.14 5.12 0.40 -0.81 -0.63 117.98 122.70 1wqs s PHE 60 Ca 0.16 -0.89 -0.27 0.00 -0.60 0.00 0.00 56.93 55.33 1wqs s PHE 60 Cb -0.11 -1.06 -0.24 0.00 0.51 0.00 0.00 43.02 42.12 1wqs s PHE 60 CO 0.07 0.04 0.69 1.03 0.70 0.00 0.00 175.22 177.75 1wqs h SER 61 N 2.32 0.00 -1.17 1.36 0.87 -1.90 -3.46 113.55 111.57 1wqs h SER 61 Ca -0.39 -0.91 -0.55 0.00 -1.23 0.00 0.00 61.79 58.70 1wqs h SER 61 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1wqs h SER 61 CO 0.66 1.01 1.57 -1.14 -0.53 0.00 0.00 176.83 178.41 1wqs n ARG 62 N -4.60 0.96 -1.55 2.24 0.00 -1.26 -4.90 116.66 107.55 1wqs n ARG 62 Ca -0.11 0.15 -0.19 0.00 -0.00 0.00 0.00 57.85 57.70 1wqs n ARG 62 Cb 0.47 -2.73 -0.08 0.00 0.00 0.00 0.00 32.46 30.12 1wqs n ARG 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1wqs n LYS 63 N 8.61 0.56 0.15 -0.14 5.02 -1.26 -4.64 118.16 126.46 1wqs n LYS 63 Ca 0.43 -0.58 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1wqs n LYS 63 Cb 0.33 -3.27 0.08 0.00 -0.02 0.00 0.00 35.03 32.15 1wqs n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wqs h VAL 64 N 7.63 0.90 -2.95 -0.18 2.07 -1.84 -3.38 116.25 118.50 1wqs h VAL 64 Ca -0.04 -2.15 -0.54 0.00 0.82 0.00 0.00 66.70 64.79 1wqs h VAL 64 Cb 1.07 2.35 -0.40 0.00 -1.52 0.00 0.00 31.29 32.80 1wqs h VAL 64 CO 1.12 0.49 -0.77 -0.13 0.02 0.00 0.00 177.57 178.30 1wqs s ARG 65 N -3.06 0.39 0.04 1.57 0.52 -1.22 -4.98 118.95 112.20 1wqs s ARG 65 Ca 0.03 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.61 1wqs s ARG 65 Cb 0.08 -1.52 -0.23 0.00 0.52 0.00 0.00 34.95 33.80 1wqs s ARG 65 CO 0.74 -0.98 0.98 -1.00 0.02 0.00 0.00 175.30 175.06 1wqs h PRO 66 N 8.29 0.07 -0.69 3.54 0.14 -1.92 -2.98 132.00 138.44 1wqs h PRO 66 Ca -0.17 -0.11 0.10 0.00 0.14 0.00 0.00 66.00 65.95 1wqs h PRO 66 Cb 1.02 0.04 -0.04 0.00 0.14 0.00 0.00 31.00 32.16 1wqs h PRO 66 CO 0.44 0.87 0.46 0.38 0.14 0.00 0.00 178.00 180.29 1wqs h ASP 67 N 0.02 0.50 -3.28 1.44 2.03 -1.96 -3.42 116.42 111.75 1wqs h ASP 67 Ca -0.15 0.01 -0.59 0.00 -0.73 0.00 0.00 57.03 55.57 1wqs h ASP 67 Cb 1.91 -0.09 -0.10 0.00 -0.83 0.00 0.00 39.33 40.22 1wqs h ASP 67 CO 0.12 0.30 -0.30 -0.76 -1.03 0.00 0.00 179.24 177.57 1wqs s LEU 68 N -9.52 4.25 -0.39 0.15 1.43 -1.13 -5.03 118.68 108.44 1wqs s LEU 68 Ca -0.09 0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 1wqs s LEU 68 Cb 0.20 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1wqs s LEU 68 CO 0.76 0.10 0.69 -0.89 0.23 0.00 0.00 176.35 177.24 1wqs s THR 69 N 0.43 4.81 0.55 5.49 2.01 -1.26 -4.24 115.64 123.43 1wqs s THR 69 Ca 0.18 0.50 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 1wqs s THR 69 Cb -0.13 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1wqs s THR 69 CO 0.05 -0.47 0.73 0.61 -0.69 0.00 0.00 174.62 174.85 1wqs n GLY 70 N 4.79 -0.96 3.78 4.40 0.00 -1.24 -4.81 105.19 111.15 1wqs n GLY 70 Ca -0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1wqs n GLY 70 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wqs s MET 71 N -2.25 2.65 0.25 1.61 -1.94 0.19 -4.91 119.30 114.90 1wqs s MET 71 Ca 0.70 -1.28 -0.31 0.00 -1.71 0.00 0.00 55.69 53.09 1wqs s MET 71 Cb -0.46 -2.39 -0.14 0.00 2.01 0.00 0.00 34.83 33.85 1wqs s MET 71 CO 0.53 0.25 1.32 0.28 -0.01 0.00 0.00 175.02 177.39 1wqs n VAL 72 N -1.18 1.18 -3.68 -6.03 0.31 -1.25 -4.84 118.33 102.83 1wqs n VAL 72 Ca -0.05 -0.29 -0.27 0.00 -0.01 0.00 0.00 64.34 63.71 1wqs n VAL 72 Cb 0.59 -1.35 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 1wqs n VAL 72 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1wqs n LEU 73 N 1.86 2.10 -4.84 7.52 -0.00 -1.26 -0.60 117.00 121.78 1wqs n LEU 73 Ca 0.11 -5.01 -0.31 0.00 -0.00 0.00 0.00 56.01 50.81 1wqs n LEU 73 Cb 0.31 -0.35 0.05 0.00 -0.00 0.00 0.00 43.42 43.43 1wqs n LEU 73 CO 0.62 1.84 0.72 -1.61 -0.00 0.00 0.00 177.39 178.96 1wqs s GLU 74 N -1.20 2.86 0.00 1.96 2.02 -0.07 -4.99 118.70 119.28 1wqs s GLU 74 Ca 0.29 0.75 -0.05 0.00 0.02 0.00 0.00 54.97 55.97 1wqs s GLU 74 Cb 0.01 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 1wqs s GLU 74 CO -0.16 -1.10 0.74 0.93 0.02 0.00 0.00 175.26 175.70 1wqs h GLU 75 N -0.71 -0.19 0.00 1.61 5.08 -1.83 -3.39 114.58 115.14 1wqs h GLU 75 Ca -0.45 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1wqs h GLU 75 Cb 1.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1wqs h GLU 75 CO 0.60 -0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 1wqs n GLY 76 N -0.10 5.45 3.04 -3.84 0.00 -1.26 -4.14 105.19 104.34 1wqs n GLY 76 Ca -0.02 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 1wqs n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s PRO 78 N -2.30 -1.67 -0.01 0.00 0.04 -1.26 -4.89 135.00 124.92 1wqs s PRO 78 Ca -0.07 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 1wqs s PRO 78 Cb -0.04 -1.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.97 1wqs s PRO 78 CO -0.03 -4.16 1.31 -1.21 0.04 0.00 0.00 177.00 172.95 1wqs s GLU 79 N -4.61 4.32 0.00 4.56 2.02 -1.26 -3.78 118.70 119.96 1wqs s GLU 79 Ca 0.69 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1wqs s GLU 79 Cb -0.22 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.48 1wqs s GLU 79 CO 0.63 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1wqs n GLY 80 N 3.51 3.45 3.69 -1.39 0.00 -1.03 -5.01 105.19 108.41 1wqs n GLY 80 Ca 0.12 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1wqs n GLY 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wqs n VAL 81 N 0.00 2.51 -4.05 1.61 3.14 -1.25 -4.37 118.33 115.92 1wqs n VAL 81 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 1wqs n VAL 81 Cb 0.00 -1.52 -0.10 0.00 -1.06 0.00 0.00 33.84 31.16 1wqs n VAL 81 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1wqs s VAL 82 N -1.20 4.73 0.34 1.55 -7.23 -1.26 -1.78 120.40 115.55 1wqs s VAL 82 Ca 0.61 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.81 1wqs s VAL 82 Cb -0.52 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 1wqs s VAL 82 CO 0.58 0.48 0.05 0.00 -0.31 0.00 0.00 175.10 175.90 1wqs s SER 84 N -3.75 4.77 0.03 0.00 0.01 -0.72 -1.73 113.70 112.31 1wqs s SER 84 Ca 0.35 -0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.23 1wqs s SER 84 Cb -0.01 -1.80 -0.17 0.00 0.21 0.00 0.00 66.02 64.25 1wqs s SER 84 CO 0.20 0.10 1.25 0.40 0.41 0.00 0.00 173.24 175.61 1wqs h ILE 85 N 5.31 1.39 -3.35 1.44 1.08 -0.72 -0.88 117.51 121.78 1wqs h ILE 85 Ca -0.34 -1.59 -0.17 0.00 -0.39 0.00 0.00 64.86 62.37 1wqs h ILE 85 Cb 1.18 2.13 0.07 0.00 -3.07 0.00 0.00 36.82 37.13 1wqs h ILE 85 CO 0.62 0.47 -0.32 0.18 -0.69 0.00 0.00 178.15 178.40 1wqs n LEU 86 N -4.43 -2.74 -4.64 1.44 4.77 -1.26 -4.06 117.00 106.08 1wqs n LEU 86 Ca -0.07 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 1wqs n LEU 86 Cb 0.47 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.89 1wqs n LEU 86 CO 0.42 0.25 1.07 -0.63 -1.33 0.00 0.00 177.39 177.17 1wqs s ILE 87 N -3.15 4.27 -0.14 -0.08 1.01 -1.22 -4.53 121.20 117.36 1wqs s ILE 87 Ca 0.16 1.47 -0.07 0.00 0.00 0.00 0.00 60.65 62.21 1wqs s ILE 87 Cb -0.07 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1wqs s ILE 87 CO 0.33 -0.41 0.11 -0.54 0.00 0.00 0.00 174.94 174.42 1wqs s LYS 88 N 3.90 3.63 0.38 2.79 1.02 -1.26 -1.02 119.74 129.18 1wqs s LYS 88 Ca 0.53 -0.22 0.04 0.00 0.02 0.00 0.00 55.97 56.35 1wqs s LYS 88 Cb -0.16 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1wqs s LYS 88 CO 0.19 0.59 0.05 0.50 -0.92 0.00 0.00 175.35 175.76 1wqs s ARG 89 N -0.50 1.83 0.17 1.68 6.06 -1.11 -4.92 118.95 122.17 1wqs s ARG 89 Ca 0.12 -2.06 -0.25 0.00 -2.50 0.00 0.00 55.73 51.03 1wqs s ARG 89 Cb -0.12 -1.10 0.02 0.00 0.06 0.00 0.00 34.95 33.81 1wqs s ARG 89 CO 0.02 -0.22 1.45 -3.47 -2.50 0.00 0.00 175.30 170.59 1wqs n ASP 90 N -0.92 -0.89 -0.80 -2.12 2.03 -1.26 -1.08 116.55 111.51 1wqs n ASP 90 Ca -0.05 1.67 0.02 0.00 0.52 0.00 0.00 54.79 56.95 1wqs n ASP 90 Cb 0.66 -0.26 0.11 0.00 -0.72 0.00 0.00 41.12 40.92 1wqs n ASP 90 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wqs n SER 91 N -5.24 2.14 -1.67 1.67 2.88 -1.26 -4.82 113.62 107.32 1wqs n SER 91 Ca 0.04 -2.22 -0.15 0.00 -1.33 0.00 0.00 58.87 55.22 1wqs n SER 91 Cb 0.28 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 1wqs n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wqs n GLY 92 N 0.32 -0.14 3.70 0.46 0.00 -0.24 -4.95 105.19 104.34 1wqs n GLY 92 Ca 0.08 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1wqs n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wqs s GLU 93 N -4.66 4.34 0.06 1.61 2.02 -1.26 -4.96 118.70 115.86 1wqs s GLU 93 Ca 0.00 0.65 -0.09 0.00 0.02 0.00 0.00 54.97 55.55 1wqs s GLU 93 Cb 0.00 -3.48 -0.06 0.00 0.10 0.00 0.00 34.13 30.70 1wqs s GLU 93 CO 0.00 0.02 0.37 -0.51 0.02 0.00 0.00 175.26 175.16 1wqs s LEU 94 N 1.03 4.36 -0.44 1.80 1.02 -1.26 -2.73 118.68 122.45 1wqs s LEU 94 Ca 0.31 0.74 0.05 0.00 0.02 0.00 0.00 54.13 55.25 1wqs s LEU 94 Cb -0.16 -2.90 0.18 0.00 0.02 0.00 0.00 46.19 43.32 1wqs s LEU 94 CO 0.13 0.19 0.47 -0.11 0.02 0.00 0.00 176.35 177.05 1wqs n LEU 95 N 0.97 -1.39 -4.63 1.79 7.94 -0.18 -5.01 117.00 116.49 1wqs n LEU 95 Ca -0.09 -3.94 -0.43 0.00 -1.11 0.00 0.00 56.01 50.45 1wqs n LEU 95 Cb 0.52 0.62 -0.02 0.00 0.53 0.00 0.00 43.42 45.07 1wqs n LEU 95 CO 0.42 1.89 0.93 -2.16 -1.11 0.00 0.00 177.39 177.36 1wqs s PRO 96 N 0.28 3.98 0.21 1.96 0.04 -1.26 -3.42 135.00 136.79 1wqs s PRO 96 Ca 0.32 0.92 0.07 0.00 0.04 0.00 0.00 61.00 62.36 1wqs s PRO 96 Cb 0.03 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1wqs s PRO 96 CO -0.15 -0.97 0.07 -0.51 0.04 0.00 0.00 177.00 175.47 1wqs s LEU 97 N 3.73 3.48 -0.02 -3.56 1.43 -1.26 -4.82 118.68 117.67 1wqs s LEU 97 Ca 0.44 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1wqs s LEU 97 Cb -0.11 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1wqs s LEU 97 CO 0.18 0.03 0.03 0.00 0.23 0.00 0.00 176.35 176.82 1wqs s ALA 98 N -1.98 3.39 -0.30 4.21 0.00 -1.26 -0.13 121.76 125.68 1wqs s ALA 98 Ca 0.30 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1wqs s ALA 98 Cb -0.08 -1.45 0.10 0.00 0.00 0.00 0.00 23.12 21.68 1wqs s ALA 98 CO 0.21 0.65 0.10 0.08 0.00 0.00 0.00 175.76 176.80 1wqs s VAL 99 N -1.08 0.67 -0.20 0.00 1.01 -0.70 -0.12 120.40 119.98 1wqs s VAL 99 Ca 0.19 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 1wqs s VAL 99 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1wqs s VAL 99 CO 0.10 -0.64 1.42 -0.60 0.00 0.00 0.00 175.10 175.38 1wqs s ARG 100 N 1.73 4.03 0.43 2.72 3.52 -0.25 -2.22 118.95 128.91 1wqs s ARG 100 Ca 0.09 1.64 -0.21 0.00 -0.13 0.00 0.00 55.73 57.11 1wqs s ARG 100 Cb -0.17 -3.90 -0.10 0.00 -1.56 0.00 0.00 34.95 29.22 1wqs s ARG 100 CO -0.26 -0.99 0.97 -1.64 -0.81 0.00 0.00 175.30 172.57 1wqs s MET 101 N 4.06 4.19 0.00 5.12 -1.94 -0.73 -1.52 119.30 128.47 1wqs s MET 101 Ca 0.62 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.80 1wqs s MET 101 Cb -0.23 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.37 1wqs s MET 101 CO 0.23 -0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.58 1wqs n GLY 102 N -0.41 5.47 3.46 -0.03 0.00 1.11 -2.48 105.19 112.31 1wqs n GLY 102 Ca 0.07 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1wqs n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s ALA 103 N -2.00 -0.05 -0.52 4.61 0.00 -1.26 -4.43 121.76 118.12 1wqs s ALA 103 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1wqs s ALA 103 Cb 0.00 -2.92 0.45 0.00 0.00 0.00 0.00 23.12 20.65 1wqs s ALA 103 CO 0.00 -4.07 1.66 0.44 0.00 0.00 0.00 175.76 173.79 1wqs n ILE 104 N -5.18 3.14 -0.12 0.00 -0.00 -1.26 -0.51 119.36 115.44 1wqs n ILE 104 Ca 0.13 -3.59 0.00 0.00 -0.00 0.00 0.00 62.75 59.29 1wqs n ILE 104 Cb 0.60 -1.16 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 1wqs n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wqs n ALA 105 N -0.80 0.00 -3.91 -1.28 0.00 -1.23 -4.56 120.51 108.73 1wqs n ALA 105 Ca 0.54 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.66 1wqs n ALA 105 Cb 0.77 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.05 1wqs n ALA 105 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wqs s SER 106 N -1.84 2.94 0.55 0.00 0.01 -1.26 -3.03 113.70 111.07 1wqs s SER 106 Ca 0.00 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.72 1wqs s SER 106 Cb 0.00 -1.36 0.04 0.00 0.21 0.00 0.00 66.02 64.91 1wqs s SER 106 CO 0.00 0.01 0.29 0.23 0.41 0.00 0.00 173.24 174.19 1wqs n MET 107 N 4.44 0.68 -0.35 12.44 0.00 -0.89 -4.94 117.12 128.49 1wqs n MET 107 Ca -0.20 -3.62 0.08 0.00 0.00 0.00 0.00 57.70 53.97 1wqs n MET 107 Cb 0.51 0.57 0.21 0.00 0.00 0.00 0.00 33.22 34.51 1wqs n MET 107 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1wqs n LYS 108 N -1.66 2.17 0.00 0.03 -0.00 -1.26 -1.93 118.16 115.50 1wqs n LYS 108 Ca -0.08 -2.80 0.00 0.00 -0.00 0.00 0.00 58.31 55.43 1wqs n LYS 108 Cb 0.65 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 1wqs n LYS 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1wqs n ILE 109 N -0.93 0.00 0.00 0.58 2.08 -1.24 -3.98 119.36 115.86 1wqs n ILE 109 Ca 0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.52 1wqs n ILE 109 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.70 1wqs n ILE 109 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wqs n GLN 110 N -0.06 0.00 -0.89 0.38 1.13 -1.26 -4.66 117.38 112.02 1wqs n GLN 110 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1wqs n GLN 110 Cb 0.00 0.00 0.30 0.00 0.11 0.00 0.00 30.24 30.65 1wqs n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wqs n GLY 111 N 5.00 3.79 3.13 1.08 0.00 -1.26 -4.98 105.19 111.95 1wqs n GLY 111 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 1wqs n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wqs s ARG 112 N -2.98 0.71 -0.37 1.61 1.81 -1.26 -5.15 118.95 113.33 1wqs s ARG 112 Ca 0.52 -0.88 -0.16 0.00 -1.72 0.00 0.00 55.73 53.49 1wqs s ARG 112 Cb 0.42 -0.61 -0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1wqs s ARG 112 CO 0.12 0.13 0.38 -1.17 -0.68 0.00 0.00 175.30 174.07 1wqs s LEU 113 N -1.69 4.60 -0.16 2.53 2.96 -1.26 -3.73 118.68 121.92 1wqs s LEU 113 Ca -0.05 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1wqs s LEU 113 Cb -0.10 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1wqs s LEU 113 CO 0.01 -0.41 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.75 1wqs s VAL 114 N 2.03 1.91 -0.07 1.68 1.01 -0.81 -4.97 120.40 121.17 1wqs s VAL 114 Ca 0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1wqs s VAL 114 Cb -0.17 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1wqs s VAL 114 CO 0.12 0.52 0.03 -2.28 0.00 0.00 0.00 175.10 173.49 1wqs s HIS 115 N 1.25 3.23 -3.92 5.22 2.46 -1.26 -2.10 115.29 120.16 1wqs s HIS 115 Ca 0.03 0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.78 1wqs s HIS 115 Cb -0.13 -1.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.53 1wqs s HIS 115 CO -0.10 0.52 0.00 0.41 -2.47 0.00 0.00 174.74 173.09 1wqs n GLY 116 N 1.90 -1.17 3.48 1.59 0.00 -1.17 -4.74 105.19 105.08 1wqs n GLY 116 Ca -0.18 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1wqs n GLY 116 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wqs s GLN 117 N -1.57 3.65 0.73 1.61 0.74 0.24 -3.57 119.66 121.49 1wqs s GLN 117 Ca 0.00 -0.52 -0.13 0.00 0.05 0.00 0.00 55.36 54.77 1wqs s GLN 117 Cb 0.00 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 31.16 1wqs s GLN 117 CO 0.00 0.15 1.11 -1.54 -0.55 0.00 0.00 175.29 174.46 1wqs s SER 118 N 0.62 4.66 -0.06 6.67 1.04 0.34 -0.33 113.70 126.64 1wqs s SER 118 Ca -0.02 1.95 -0.29 0.00 0.48 0.00 0.00 55.95 58.07 1wqs s SER 118 Cb -0.14 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.54 1wqs s SER 118 CO 0.02 -1.93 0.87 -0.83 0.98 0.00 0.00 173.24 172.35 1wqs s GLY 119 N -2.93 -0.43 -0.04 7.32 0.00 -0.10 0.36 107.32 111.50 1wqs s GLY 119 Ca 0.65 1.39 0.07 0.00 0.00 0.00 0.00 44.72 46.82 1wqs s GLY 119 CO 0.49 0.67 -0.25 1.06 0.00 0.00 0.00 173.10 175.07 1wqs s MET 120 N -2.13 2.34 0.34 2.90 -1.94 -0.57 0.43 119.30 120.67 1wqs s MET 120 Ca -0.00 -0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 52.81 1wqs s MET 120 Cb -0.01 -2.09 -0.09 0.00 2.01 0.00 0.00 34.83 34.64 1wqs s MET 120 CO -0.02 0.45 1.00 -0.51 -0.01 0.00 0.00 175.02 175.93 1wqs s LEU 121 N -0.35 4.31 0.00 -0.03 1.02 -0.87 -1.09 118.68 121.67 1wqs s LEU 121 Ca 0.02 1.96 0.28 0.00 0.02 0.00 0.00 54.13 56.42 1wqs s LEU 121 Cb -0.12 -4.01 1.13 0.00 0.02 0.00 0.00 46.19 43.21 1wqs s LEU 121 CO 0.02 -0.22 1.85 0.18 0.02 0.00 0.00 176.35 178.20 1wqs n LEU 122 N 0.45 0.11 -0.14 1.79 4.32 0.83 -3.52 117.00 120.84 1wqs n LEU 122 Ca 0.02 0.37 0.13 0.00 -0.02 0.00 0.00 56.01 56.52 1wqs n LEU 122 Cb 0.49 -0.43 0.47 0.00 -1.62 0.00 0.00 43.42 42.34 1wqs n LEU 122 CO 0.46 0.03 0.73 0.35 -1.22 0.00 0.00 177.39 177.74 1wqs n THR 123 N -1.46 0.00 0.00 -5.08 -2.24 -1.26 -5.00 114.28 99.24 1wqs n THR 123 Ca 0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wqs n THR 123 Cb 0.33 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1wqs n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wqs n GLY 124 N 1.35 0.29 0.00 3.38 0.00 -1.23 -4.70 105.19 104.28 1wqs n GLY 124 Ca 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1wqs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs n ALA 125 N -1.00 0.00 -3.71 4.61 0.00 -1.26 -4.21 120.51 114.94 1wqs n ALA 125 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1wqs n ALA 125 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1wqs n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wqs s ASN 126 N 0.00 3.21 -0.61 0.00 3.84 -1.26 -4.77 114.94 115.35 1wqs s ASN 126 Ca 0.00 -1.04 0.04 0.00 0.21 0.00 0.00 52.86 52.07 1wqs s ASN 126 Cb 0.00 -0.62 0.16 0.00 -0.55 0.00 0.00 41.25 40.24 1wqs s ASN 126 CO 0.00 -0.34 0.42 0.00 -2.79 0.00 0.00 177.10 174.39 1wqs s ALA 127 N 1.83 3.19 -0.01 1.71 0.00 -1.24 -4.68 121.76 122.56 1wqs s ALA 127 Ca 0.02 -3.43 -0.03 0.00 0.00 0.00 0.00 51.96 48.52 1wqs s ALA 127 Cb -0.17 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1wqs s ALA 127 CO -0.15 -2.06 0.35 -0.22 0.00 0.00 0.00 175.76 173.68 1wqs h LYS 128 N 5.67 -0.11 0.00 0.00 1.63 -1.95 -3.45 116.57 118.35 1wqs h LYS 128 Ca 0.13 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1wqs h LYS 128 Cb 0.81 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1wqs h LYS 128 CO 0.63 -0.07 0.00 0.41 -3.45 0.00 0.00 179.45 176.97 1wqs n GLY 129 N 1.00 1.96 3.58 5.01 0.00 -1.26 -4.98 105.19 110.49 1wqs n GLY 129 Ca -0.01 -0.27 -0.55 0.00 0.00 0.00 0.00 46.02 45.18 1wqs n GLY 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wqs n MET 130 N 0.00 1.05 0.00 1.61 2.81 -1.26 -4.77 117.12 116.56 1wqs n MET 130 Ca 0.00 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1wqs n MET 130 Cb 0.00 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 1wqs n MET 130 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wqs n ASP 131 N 7.11 0.84 -2.49 7.83 8.00 -1.26 -5.02 116.55 131.55 1wqs n ASP 131 Ca 0.34 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.65 1wqs n ASP 131 Cb 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1wqs n ASP 131 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wqs n LEU 132 N 0.00 3.54 -4.02 0.64 7.99 -1.26 -5.06 117.00 118.83 1wqs n LEU 132 Ca 0.00 -4.52 -0.10 0.00 -0.01 0.00 0.00 56.01 51.39 1wqs n LEU 132 Cb 0.00 -0.10 -0.05 0.00 -0.11 0.00 0.00 43.42 43.15 1wqs n LEU 132 CO 0.00 1.91 0.14 -0.83 -1.51 0.00 0.00 177.39 177.11 1wqs s GLY 133 N -3.46 0.71 0.90 -0.72 0.00 -1.26 -4.67 107.32 98.82 1wqs s GLY 133 Ca 0.41 -1.02 -0.14 0.00 0.00 0.00 0.00 44.72 43.97 1wqs s GLY 133 CO -0.07 -0.73 1.22 -0.51 0.00 0.00 0.00 173.10 173.00 1wqs s THR 134 N -3.89 1.98 0.12 0.90 -4.23 -1.26 -5.08 115.64 104.17 1wqs s THR 134 Ca 0.25 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1wqs s THR 134 Cb -0.00 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 1wqs s THR 134 CO 0.10 0.00 0.23 -0.76 -0.54 0.00 0.00 174.62 173.65 1wqs s LEU 135 N -5.83 1.23 0.21 4.79 1.43 -1.26 -4.98 118.68 114.28 1wqs s LEU 135 Ca 0.67 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1wqs s LEU 135 Cb -0.09 1.11 0.23 0.00 0.03 0.00 0.00 46.19 47.47 1wqs s LEU 135 CO 0.51 -0.79 1.60 -0.65 0.23 0.00 0.00 176.35 177.25 1wqs h PRO 136 N 2.67 -0.06 0.00 1.29 0.11 -2.00 -2.10 132.00 131.90 1wqs h PRO 136 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1wqs h PRO 136 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wqs h PRO 136 CO 0.53 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 1wqs n GLY 137 N -1.47 -0.44 0.27 -0.55 0.00 -1.26 -3.60 105.19 98.14 1wqs n GLY 137 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1wqs n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wqs n ASP 138 N -1.21 0.97 -4.75 1.61 9.92 -0.79 -4.47 116.55 117.83 1wqs n ASP 138 Ca 0.04 -0.99 -0.34 0.00 -0.53 0.00 0.00 54.79 52.96 1wqs n ASP 138 Cb 0.05 0.04 0.05 0.00 -0.64 0.00 0.00 41.12 40.62 1wqs n ASP 138 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wqs n GLY 140 N 0.06 3.20 3.45 0.00 0.00 -1.06 -1.28 105.19 109.56 1wqs n GLY 140 Ca 0.12 -0.90 -0.54 0.00 0.00 0.00 0.00 46.02 44.70 1wqs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs n ALA 141 N 0.00 -3.30 -1.73 4.61 0.00 -0.83 -3.99 120.51 115.27 1wqs n ALA 141 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1wqs n ALA 141 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1wqs n ALA 141 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wqs s PRO 142 N -0.45 3.50 -0.18 0.00 0.04 -1.26 -0.44 135.00 136.22 1wqs s PRO 142 Ca 0.79 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1wqs s PRO 142 Cb -1.11 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1wqs s PRO 142 CO 0.56 -0.68 -0.04 0.71 0.04 0.00 0.00 177.00 177.60 1wqs s TYR 143 N -2.17 2.99 0.31 0.56 4.12 -0.32 -4.27 117.35 118.56 1wqs s TYR 143 Ca 0.66 -0.52 0.01 0.00 0.02 0.00 0.00 57.07 57.25 1wqs s TYR 143 Cb -0.17 -2.01 -0.01 0.00 -1.52 0.00 0.00 41.96 38.25 1wqs s TYR 143 CO 0.29 -0.23 0.05 1.33 0.02 0.00 0.00 175.55 177.01 1wqs n VAL 144 N 4.01 0.00 0.00 0.71 0.24 -0.33 -2.54 118.33 120.41 1wqs n VAL 144 Ca -0.18 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1wqs n VAL 144 Cb 0.52 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1wqs n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wqs n TYR 145 N -0.73 0.00 -3.58 6.34 0.18 -1.09 -1.76 117.16 116.52 1wqs n TYR 145 Ca -0.09 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.30 1wqs n TYR 145 Cb 0.42 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.27 1wqs n TYR 145 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1wqs s LYS 146 N -1.91 3.53 -0.07 -3.48 1.02 -1.26 -1.01 119.74 116.56 1wqs s LYS 146 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1wqs s LYS 146 Cb 0.00 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 1wqs s LYS 146 CO 0.00 -0.39 -0.11 -2.13 -0.92 0.00 0.00 175.35 171.80 1wqs n ARG 147 N 5.06 0.22 0.00 1.68 0.63 -0.72 -5.00 116.66 118.53 1wqs n ARG 147 Ca -0.13 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1wqs n ARG 147 Cb 0.50 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.33 1wqs n ARG 147 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wqs n ASN 148 N -3.35 0.00 -0.41 6.15 5.03 -1.26 -4.84 115.26 116.58 1wqs n ASN 148 Ca -0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1wqs n ASN 148 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1wqs n ASN 148 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1wqs n ASN 149 N 0.00 0.70 -4.58 6.41 5.15 -1.26 -4.72 115.26 116.96 1wqs n ASN 149 Ca 0.00 -1.72 -0.32 0.00 -0.60 0.00 0.00 54.58 51.94 1wqs n ASN 149 Cb 0.00 -0.35 -0.11 0.00 -0.53 0.00 0.00 39.78 38.79 1wqs n ASN 149 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1wqs s ASP 150 N -0.32 4.51 -0.61 1.20 1.01 -1.26 -5.12 116.67 116.07 1wqs s ASP 150 Ca 0.00 -0.20 -0.21 0.00 0.71 0.00 0.00 52.55 52.85 1wqs s ASP 150 Cb 0.00 -1.00 0.08 0.00 1.01 0.00 0.00 42.92 43.01 1wqs s ASP 150 CO 0.00 0.27 0.82 0.26 0.21 0.00 0.00 175.17 176.73 1wqs s TRP 151 N -1.02 2.85 -0.11 4.23 0.51 -1.26 -1.76 118.94 122.38 1wqs s TRP 151 Ca 0.17 -0.68 -0.14 0.00 -2.12 0.00 0.00 56.10 53.34 1wqs s TRP 151 Cb -0.11 -4.09 -0.05 0.00 -0.81 0.00 0.00 33.47 28.41 1wqs s TRP 151 CO 0.08 -1.43 0.33 0.54 -0.51 0.00 0.00 176.95 175.97 1wqs s VAL 152 N 3.36 5.24 -0.04 4.03 0.11 -0.18 -3.95 120.40 128.98 1wqs s VAL 152 Ca 0.18 0.64 -0.20 0.00 -2.93 0.00 0.00 61.98 59.67 1wqs s VAL 152 Cb -0.20 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 1wqs s VAL 152 CO 0.09 0.45 0.55 -0.69 -3.33 0.00 0.00 175.10 172.18 1wqs s VAL 153 N -0.05 5.01 -0.06 2.04 1.01 0.23 -2.68 120.40 125.89 1wqs s VAL 153 Ca 0.19 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1wqs s VAL 153 Cb -0.14 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1wqs s VAL 153 CO 0.07 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.73 1wqs n GLY 155 N 1.95 -1.86 3.19 0.00 0.00 -1.25 -4.37 105.19 102.86 1wqs n GLY 155 Ca -0.01 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1wqs n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wqs s VAL 156 N -2.69 0.92 -0.56 1.61 -7.23 -0.85 -1.18 120.40 110.43 1wqs s VAL 156 Ca 0.00 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 1wqs s VAL 156 Cb 0.00 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1wqs s VAL 156 CO 0.00 -0.70 1.52 -2.28 -0.31 0.00 0.00 175.10 173.33 1wqs s HIS 157 N -3.02 2.13 -0.05 2.82 5.04 0.42 -1.18 115.29 121.45 1wqs s HIS 157 Ca 0.10 0.51 -0.23 0.00 -1.54 0.00 0.00 55.06 53.91 1wqs s HIS 157 Cb 0.01 -4.33 -0.30 0.00 0.04 0.00 0.00 32.58 28.00 1wqs s HIS 157 CO -0.01 -2.13 0.90 0.00 -2.34 0.00 0.00 174.74 171.16 1wqs h ALA 158 N 11.87 -0.06 -2.90 1.58 0.00 -1.37 -2.80 119.26 125.57 1wqs h ALA 158 Ca -0.27 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.04 1wqs h ALA 158 Cb 1.11 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1wqs h ALA 158 CO 1.18 0.32 0.26 0.00 0.00 0.00 0.00 179.25 181.01 1wqs s ALA 159 N -2.50 -1.41 0.07 0.00 0.00 -1.17 -4.96 121.76 111.78 1wqs s ALA 159 Ca -0.14 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 1wqs s ALA 159 Cb 0.01 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1wqs s ALA 159 CO 0.81 -0.94 0.21 0.00 0.00 0.00 0.00 175.76 175.84 1wqs s ALA 160 N -3.76 -0.35 0.79 0.00 0.00 -1.26 -0.94 121.76 116.24 1wqs s ALA 160 Ca 0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1wqs s ALA 160 Cb -0.04 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.55 1wqs s ALA 160 CO -0.01 -0.45 1.15 0.95 0.00 0.00 0.00 175.76 177.41 1wqs s THR 161 N -3.23 2.43 0.58 0.00 -4.23 -0.13 -4.66 115.64 106.41 1wqs s THR 161 Ca 0.00 0.14 0.28 0.00 -1.18 0.00 0.00 61.69 60.93 1wqs s THR 161 Cb 0.02 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 71.11 1wqs s THR 161 CO -0.08 -0.18 2.10 0.07 -0.54 0.00 0.00 174.62 175.99 1wqs h LYS 162 N -0.99 0.00 -0.01 3.99 5.09 -1.92 -2.23 116.57 120.50 1wqs h LYS 162 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1wqs h LYS 162 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.64 1wqs h LYS 162 CO 0.65 0.00 -0.64 -1.13 -2.09 0.00 0.00 179.45 176.23 1wqs n SER 163 N -3.85 1.16 0.00 7.07 3.41 -1.26 -4.96 113.62 115.19 1wqs n SER 163 Ca 0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1wqs n SER 163 Cb 0.32 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1wqs n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqs n GLY 164 N 1.45 2.81 0.23 5.00 0.00 -0.84 -3.62 105.19 110.23 1wqs n GLY 164 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1wqs n GLY 164 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wqs h ASN 165 N 0.00 -0.60 -3.33 1.61 -0.00 -1.85 -3.41 115.58 107.99 1wqs h ASN 165 Ca 0.00 0.15 -0.64 0.00 -0.00 0.00 0.00 56.30 55.81 1wqs h ASN 165 Cb 0.00 0.34 -0.20 0.00 -0.00 0.00 0.00 38.32 38.46 1wqs h ASN 165 CO 0.00 -0.21 -0.66 -0.89 -0.00 0.00 0.00 177.43 175.67 1wqs s THR 166 N -6.17 3.97 0.07 -3.57 2.01 -1.26 -2.06 115.64 108.64 1wqs s THR 166 Ca -0.14 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1wqs s THR 166 Cb 0.15 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1wqs s THR 166 CO 0.71 0.51 -0.11 0.68 -0.69 0.00 0.00 174.62 175.72 1wqs s VAL 167 N 0.14 0.87 -0.13 3.82 -7.23 0.17 -0.95 120.40 117.09 1wqs s VAL 167 Ca -0.01 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1wqs s VAL 167 Cb -0.14 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 1wqs s VAL 167 CO 0.03 -0.41 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.63 1wqs s VAL 168 N -1.79 3.51 -0.33 1.32 1.01 -0.12 -0.93 120.40 123.06 1wqs s VAL 168 Ca -0.01 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1wqs s VAL 168 Cb -0.07 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1wqs s VAL 168 CO 0.01 0.53 0.45 0.00 0.00 0.00 0.00 175.10 176.08 1wqs s ALA 170 N 2.23 3.35 0.26 0.00 0.00 -0.32 0.82 121.76 128.11 1wqs s ALA 170 Ca 0.16 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.98 1wqs s ALA 170 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1wqs s ALA 170 CO 0.12 -0.19 -0.10 0.14 0.00 0.00 0.00 175.76 175.73 1wqs s VAL 171 N -0.16 1.79 -0.15 0.00 -7.23 -1.26 -2.01 120.40 111.39 1wqs s VAL 171 Ca 0.49 -2.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 1wqs s VAL 171 Cb -0.28 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1wqs s VAL 171 CO 0.34 -0.39 0.30 -1.58 -0.31 0.00 0.00 175.10 173.46 1wqs s GLN 172 N -3.67 4.21 0.00 4.82 0.74 -1.26 -4.32 119.66 120.18 1wqs s GLN 172 Ca 0.28 0.12 0.21 0.00 0.05 0.00 0.00 55.36 56.01 1wqs s GLN 172 Cb 0.02 -3.41 0.16 0.00 1.10 0.00 0.00 33.01 30.88 1wqs s GLN 172 CO 0.11 0.28 1.15 0.00 -0.55 0.00 0.00 175.29 176.28