#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 0.59 0.11 0.00 0.04 -1.26 -4.83 135.00 129.64 1wqs s PRO 2 Ca 0.00 1.04 0.22 0.00 0.04 0.00 0.00 61.00 62.30 1wqs s PRO 2 Cb 0.00 -1.71 0.88 0.00 0.04 0.00 0.00 34.50 33.70 1wqs s PRO 2 CO 0.00 -2.76 1.68 -0.35 0.04 0.00 0.00 177.00 175.60 1wqs n PRO 3 N -4.27 0.10 0.02 0.56 -0.04 -1.26 -2.40 135.00 127.71 1wqs n PRO 3 Ca 0.07 0.24 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1wqs n PRO 3 Cb 0.54 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1wqs n PRO 3 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1wqs h THR 4 N 0.00 0.58 -0.06 0.52 2.02 -1.98 -2.67 112.91 111.32 1wqs h THR 4 Ca 0.00 -2.14 -0.03 0.00 0.77 0.00 0.00 66.41 65.01 1wqs h THR 4 Cb 0.41 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1wqs h THR 4 CO 0.00 0.33 -0.09 0.25 0.37 0.00 0.00 175.52 176.38 1wqs h LEU 5 N 0.00 0.18 -2.15 2.58 5.85 -1.82 -3.11 115.31 116.84 1wqs h LEU 5 Ca -0.18 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 57.98 1wqs h LEU 5 Cb 1.66 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1wqs h LEU 5 CO 0.05 0.69 -0.07 -0.50 -0.34 0.00 0.00 178.44 178.27 1wqs h TRP 6 N -0.32 0.00 0.00 1.25 4.06 -1.60 -2.65 115.95 116.69 1wqs h TRP 6 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1wqs h TRP 6 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1wqs h TRP 6 CO 0.11 0.07 0.00 -1.13 -3.56 0.00 0.00 178.44 173.93 1wqs n SER 7 N -3.74 0.00 -0.05 -3.49 3.41 -1.01 -2.28 113.62 106.47 1wqs n SER 7 Ca -0.02 -0.74 0.01 0.00 -0.26 0.00 0.00 58.87 57.86 1wqs n SER 7 Cb 0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.96 1wqs n SER 7 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wqs n ARG 8 N -0.75 0.67 -2.98 4.33 1.74 -1.00 -4.80 116.66 113.87 1wqs n ARG 8 Ca 0.06 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1wqs n ARG 8 Cb 0.03 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 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 -3.01 4.68 0.37 1.55 1.01 -0.96 -0.41 120.40 123.62 1wqs s VAL 9 Ca -0.09 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1wqs s VAL 9 Cb 0.10 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1wqs s VAL 9 CO 0.87 -0.70 -0.01 0.68 0.00 0.00 0.00 175.10 175.94 1wqs s VAL 10 N 3.22 2.28 0.46 2.92 -7.23 -0.56 -4.94 120.40 116.55 1wqs s VAL 10 Ca 0.29 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.21 1wqs s VAL 10 Cb -0.12 -2.82 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 1wqs s VAL 10 CO 0.22 -0.12 1.07 -0.60 -0.31 0.00 0.00 175.10 175.35 1wqs s ARG 11 N -3.69 3.85 -0.28 4.82 3.52 -1.26 0.36 118.95 126.27 1wqs s ARG 11 Ca 0.35 1.48 -0.23 0.00 -0.13 0.00 0.00 55.73 57.19 1wqs s ARG 11 Cb 0.04 -2.25 0.11 0.00 -1.56 0.00 0.00 34.95 31.30 1wqs s ARG 11 CO 0.18 -0.41 0.95 0.12 -0.81 0.00 0.00 175.30 175.34 1wqs s PHE 12 N -1.82 -0.57 0.00 5.12 5.36 -1.03 -4.67 117.98 120.38 1wqs s PHE 12 Ca 0.65 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 1wqs s PHE 12 Cb -0.20 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1wqs s PHE 12 CO 0.24 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 174.14 1wqs n GLY 13 N 2.58 0.84 0.04 13.12 0.00 -1.26 -0.31 105.19 120.21 1wqs n GLY 13 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1wqs n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wqs n SER 14 N -3.56 0.07 0.00 1.61 3.41 -1.07 -4.70 113.62 109.38 1wqs n SER 14 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1wqs n SER 14 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1wqs n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqs n GLY 15 N 0.26 3.91 3.58 5.00 0.00 0.58 -4.76 105.19 113.77 1wqs n GLY 15 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1wqs n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wqs s TRP 16 N 2.74 0.69 0.33 1.61 0.52 -0.75 -2.47 118.94 121.62 1wqs s TRP 16 Ca 0.00 -1.05 -0.09 0.00 0.02 0.00 0.00 56.10 54.98 1wqs s TRP 16 Cb 0.00 0.17 0.02 0.00 -1.15 0.00 0.00 33.47 32.51 1wqs s TRP 16 CO 0.00 -1.19 0.57 0.20 0.02 0.00 0.00 176.95 176.55 1wqs s GLY 17 N -3.15 0.92 -0.04 0.98 0.00 0.16 -4.36 107.32 101.84 1wqs s GLY 17 Ca 0.25 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1wqs s GLY 17 CO 0.16 -0.70 -0.03 -0.12 0.00 0.00 0.00 173.10 172.41 1wqs s PHE 18 N -3.08 0.59 -0.59 1.90 2.19 0.80 -1.50 117.98 118.30 1wqs s PHE 18 Ca 0.24 -0.13 -0.22 0.00 0.33 0.00 0.00 56.93 57.14 1wqs s PHE 18 Cb -0.02 -0.57 0.06 0.00 -1.31 0.00 0.00 43.02 41.17 1wqs s PHE 18 CO 0.15 -0.17 0.88 -1.58 1.83 0.00 0.00 175.22 176.33 1wqs s TRP 19 N 0.95 2.80 -0.04 10.12 0.52 0.45 -1.47 118.94 132.27 1wqs s TRP 19 Ca -0.11 -0.35 -0.15 0.00 0.02 0.00 0.00 56.10 55.51 1wqs s TRP 19 Cb -0.14 -4.06 -0.31 0.00 -1.15 0.00 0.00 33.47 27.81 1wqs s TRP 19 CO -0.01 -1.40 0.76 -0.24 0.02 0.00 0.00 176.95 176.08 1wqs h VAL 20 N 5.97 1.13 -1.32 4.03 3.04 -1.83 -3.46 116.25 123.80 1wqs h VAL 20 Ca -0.28 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 62.88 1wqs h VAL 20 Cb 1.08 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 33.25 1wqs h VAL 20 CO 1.10 0.79 0.00 -1.54 -1.01 0.00 0.00 177.57 176.91 1wqs n SER 21 N -3.78 0.00 -0.13 3.17 3.41 -1.10 -2.17 113.62 113.03 1wqs n SER 21 Ca -0.21 -0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 57.98 1wqs n SER 21 Cb 1.01 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.94 1wqs n SER 21 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wqs h PRO 22 N 0.00 0.63 0.03 4.33 0.11 -1.80 -3.38 132.00 131.92 1wqs h PRO 22 Ca 0.00 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1wqs h PRO 22 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1wqs h PRO 22 CO 0.00 0.72 -0.01 1.79 -0.21 0.00 0.00 178.00 180.29 1wqs h THR 23 N 0.46 0.00 -3.64 -1.15 1.35 -1.85 -0.56 112.91 107.52 1wqs h THR 23 Ca 0.11 -0.13 -0.52 0.00 -0.55 0.00 0.00 66.41 65.32 1wqs h THR 23 Cb 0.42 0.00 0.03 0.00 -1.73 0.00 0.00 68.15 66.88 1wqs h THR 23 CO 0.01 0.00 0.58 -0.69 -0.25 0.00 0.00 175.52 175.18 1wqs s VAL 24 N -1.55 3.24 0.04 6.82 1.01 -1.26 -1.77 120.40 126.93 1wqs s VAL 24 Ca -0.01 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1wqs s VAL 24 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1wqs s VAL 24 CO 0.02 0.22 -0.06 0.12 0.00 0.00 0.00 175.10 175.40 1wqs s PHE 25 N -0.56 0.53 0.02 5.22 5.36 0.11 -2.62 117.98 126.04 1wqs s PHE 25 Ca 0.51 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1wqs s PHE 25 Cb -0.35 -0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 41.98 1wqs s PHE 25 CO 0.42 -0.15 -0.05 0.42 -1.46 0.00 0.00 175.22 174.40 1wqs s ILE 26 N -1.77 0.38 0.15 3.12 1.01 -0.54 -0.09 121.20 123.46 1wqs s ILE 26 Ca -0.09 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1wqs s ILE 26 Cb -0.08 -0.39 0.06 0.00 0.01 0.00 0.00 42.46 42.06 1wqs s ILE 26 CO -0.01 -0.14 0.77 0.28 0.00 0.00 0.00 174.94 175.84 1wqs s THR 27 N -0.69 0.00 0.58 2.92 -1.32 -0.55 -0.14 115.64 116.45 1wqs s THR 27 Ca -0.04 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1wqs s THR 27 Cb -0.05 -1.46 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1wqs s THR 27 CO -0.00 0.00 0.94 0.42 -2.21 0.00 0.00 174.62 173.77 1wqs s THR 28 N -3.56 4.42 0.09 5.08 -4.23 -1.26 -0.92 115.64 115.27 1wqs s THR 28 Ca 0.07 0.46 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1wqs s THR 28 Cb -0.02 -3.74 -0.13 0.00 1.34 0.00 0.00 72.50 69.94 1wqs s THR 28 CO -0.04 -0.87 1.33 0.74 -0.54 0.00 0.00 174.62 175.25 1wqs h THR 29 N -0.18 1.30 0.00 3.99 2.02 -1.12 -3.04 112.91 115.89 1wqs h THR 29 Ca -0.45 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 64.95 1wqs h THR 29 Cb 1.21 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1wqs h THR 29 CO 0.62 0.56 0.00 0.00 0.37 0.00 0.00 175.52 177.07 1wqs n HIS 30 N -4.09 0.00 0.01 3.16 1.44 -1.26 -0.04 115.22 114.43 1wqs n HIS 30 Ca -0.06 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.74 1wqs n HIS 30 Cb 0.63 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.60 1wqs n HIS 30 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1wqs n VAL 31 N -0.72 0.00 -1.71 0.61 0.31 -1.15 -4.92 118.33 110.76 1wqs n VAL 31 Ca 0.08 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.57 1wqs n VAL 31 Cb 0.04 0.10 -0.02 0.00 -0.91 0.00 0.00 33.84 33.05 1wqs n VAL 31 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1wqs n ILE 32 N -2.12 0.97 -2.25 2.52 5.41 0.94 -2.59 119.36 122.24 1wqs n ILE 32 Ca -0.03 -0.24 -0.42 0.00 1.00 0.00 0.00 62.75 63.06 1wqs n ILE 32 Cb 0.47 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 1wqs n ILE 32 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1wqs s PRO 33 N -0.43 4.36 0.00 0.38 0.05 -1.26 -4.90 135.00 133.20 1wqs s PRO 33 Ca 0.66 1.98 0.00 0.00 0.05 0.00 0.00 61.00 63.69 1wqs s PRO 33 Cb -0.58 -3.27 0.00 0.00 0.05 0.00 0.00 34.50 30.70 1wqs s PRO 33 CO 0.49 -0.36 0.28 -2.37 0.05 0.00 0.00 177.00 175.09 1wqs n THR 34 N 3.79 0.00 -4.41 1.26 5.66 -1.26 -4.74 114.28 114.58 1wqs n THR 34 Ca 0.10 0.43 -0.26 0.00 -3.05 0.00 0.00 64.05 61.27 1wqs n THR 34 Cb 0.44 -0.58 -0.12 0.00 -1.55 0.00 0.00 70.33 68.52 1wqs n THR 34 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wqs s GLY 35 N -0.95 1.65 0.00 1.09 0.00 -1.26 -5.15 107.32 102.70 1wqs s GLY 35 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1wqs s GLY 35 CO 0.00 -1.64 0.00 3.33 0.00 0.00 0.00 173.10 174.79 1wqs n VAL 36 N 0.28 0.00 1.23 1.40 0.24 -1.26 -5.02 118.33 115.20 1wqs n VAL 36 Ca -0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.28 1wqs n VAL 36 Cb 0.56 0.00 0.38 0.00 -1.47 0.00 0.00 33.84 33.31 1wqs n VAL 36 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1wqs n ARG 37 N -0.47 1.73 -3.55 7.34 -4.01 -1.26 -4.88 116.66 111.57 1wqs n ARG 37 Ca 0.00 -1.09 -0.08 0.00 -1.04 0.00 0.00 57.85 55.64 1wqs n ARG 37 Cb 0.00 -1.40 -0.03 0.00 -3.04 0.00 0.00 32.46 28.00 1wqs n ARG 37 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1wqs s GLU 38 N -1.80 0.62 -0.05 2.89 4.04 -1.26 -1.28 118.70 121.86 1wqs s GLU 38 Ca 0.32 -0.15 -0.07 0.00 0.04 0.00 0.00 54.97 55.11 1wqs s GLU 38 Cb 0.18 0.29 0.01 0.00 0.02 0.00 0.00 34.13 34.63 1wqs s GLU 38 CO 0.27 -0.26 0.18 -0.59 -1.84 0.00 0.00 175.26 173.02 1wqs s PHE 39 N -2.48 -0.13 -1.50 4.83 -0.12 -0.87 -4.76 117.98 112.95 1wqs s PHE 39 Ca 0.05 0.30 -0.12 0.00 -0.05 0.00 0.00 56.93 57.11 1wqs s PHE 39 Cb -0.01 0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.49 1wqs s PHE 39 CO -0.06 -0.17 0.94 1.19 -0.05 0.00 0.00 175.22 177.06 1wqs n PHE 40 N 2.41 -2.30 -1.68 3.49 3.72 -1.26 -1.61 117.46 120.23 1wqs n PHE 40 Ca -0.16 0.85 -0.10 0.00 -0.05 0.00 0.00 57.45 57.99 1wqs n PHE 40 Cb 0.58 -4.04 -0.03 0.00 -0.94 0.00 0.00 39.48 35.05 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 -1.67 0.46 3.64 1.37 0.00 -1.26 -4.96 105.19 102.77 1wqs n GLY 41 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1wqs n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wqs s GLU 42 N -3.57 2.16 0.04 1.61 -1.05 -0.63 -5.09 118.70 112.17 1wqs s GLU 42 Ca 0.00 -1.61 -0.31 0.00 -0.15 0.00 0.00 54.97 52.90 1wqs s GLU 42 Cb 0.00 -2.03 -0.06 0.00 -0.44 0.00 0.00 34.13 31.60 1wqs s GLU 42 CO 0.00 0.23 1.42 -1.25 0.95 0.00 0.00 175.26 176.60 1wqs s PRO 43 N -3.70 4.29 0.21 -4.83 0.04 -1.26 -2.06 135.00 127.69 1wqs s PRO 43 Ca 0.34 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.22 1wqs s PRO 43 Cb -0.03 -3.48 0.19 0.00 0.04 0.00 0.00 34.50 31.22 1wqs s PRO 43 CO 0.20 -0.54 1.50 1.51 0.04 0.00 0.00 177.00 179.70 1wqs n ILE 44 N 4.45 -0.53 0.00 0.56 0.00 -0.41 0.21 119.36 123.65 1wqs n ILE 44 Ca 0.13 2.27 0.00 0.00 0.00 0.00 0.00 62.75 65.15 1wqs n ILE 44 Cb 0.43 -2.98 0.00 0.00 0.00 0.00 0.00 39.64 37.09 1wqs n ILE 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1wqs n GLU 45 N -5.40 0.00 -0.03 9.51 0.00 -1.26 -0.88 120.64 122.58 1wqs n GLU 45 Ca 0.09 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.49 1wqs n GLU 45 Cb 0.37 -1.76 0.05 0.00 0.00 0.00 0.00 31.44 30.09 1wqs n GLU 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wqs n SER 46 N -1.20 1.85 -4.83 -1.84 3.41 0.57 -4.91 113.62 106.68 1wqs n SER 46 Ca 0.00 -1.50 -0.35 0.00 -0.26 0.00 0.00 58.87 56.76 1wqs n SER 46 Cb 0.26 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1wqs n SER 46 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wqs s ILE 47 N -0.68 5.08 -0.41 -1.33 -1.09 -0.06 -3.72 121.20 118.99 1wqs s ILE 47 Ca 0.09 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 1wqs s ILE 47 Cb 0.06 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.73 1wqs s ILE 47 CO 0.08 0.48 0.25 0.00 -1.23 0.00 0.00 174.94 174.52 1wqs s ALA 48 N -1.12 3.30 -0.07 9.38 0.00 -0.63 -4.96 121.76 127.66 1wqs s ALA 48 Ca 0.20 -1.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.05 1wqs s ALA 48 Cb -0.12 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1wqs s ALA 48 CO 0.10 -1.56 0.30 0.42 0.00 0.00 0.00 175.76 175.02 1wqs s ILE 49 N 1.49 5.24 -0.15 0.00 1.09 -1.26 -1.34 121.20 126.26 1wqs s ILE 49 Ca 0.02 0.58 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 1wqs s ILE 49 Cb -0.22 -3.60 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1wqs s ILE 49 CO 0.04 0.55 -0.13 -2.28 -0.10 0.00 0.00 174.94 173.02 1wqs s HIS 50 N -0.73 2.15 -0.10 3.97 5.65 -0.52 -4.99 115.29 120.71 1wqs s HIS 50 Ca 0.19 -1.24 0.02 0.00 0.25 0.00 0.00 55.06 54.28 1wqs s HIS 50 Cb -0.14 -1.57 -0.02 0.00 -1.18 0.00 0.00 32.58 29.67 1wqs s HIS 50 CO 0.08 -0.67 -0.16 0.50 -0.65 0.00 0.00 174.74 173.85 1wqs s ARG 51 N 1.49 3.06 -0.49 2.88 3.52 -1.26 -0.97 118.95 127.18 1wqs s ARG 51 Ca 0.04 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 1wqs s ARG 51 Cb -0.13 -2.49 0.26 0.00 -1.56 0.00 0.00 34.95 31.03 1wqs s ARG 51 CO -0.10 0.32 0.65 0.00 -0.81 0.00 0.00 175.30 175.35 1wqs n ALA 52 N 3.19 3.15 -0.21 6.12 0.00 -0.53 -5.03 120.51 127.21 1wqs n ALA 52 Ca -0.18 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1wqs n ALA 52 Cb 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1wqs n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wqs n GLY 53 N 1.01 2.40 0.05 0.00 0.00 -1.26 -2.57 105.19 104.82 1wqs n GLY 53 Ca 0.25 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1wqs n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wqs n GLU 54 N 12.41 0.11 -3.69 1.61 -0.58 -1.26 -4.73 120.64 124.51 1wqs n GLU 54 Ca 0.00 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 56.60 1wqs n GLU 54 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.16 1wqs n GLU 54 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1wqs s PHE 55 N -3.09 3.53 -0.08 -0.32 5.36 -1.06 -0.56 117.98 121.77 1wqs s PHE 55 Ca 0.10 0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 56.61 1wqs s PHE 55 Cb 0.13 -2.02 0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1wqs s PHE 55 CO 0.47 0.52 0.20 0.99 -1.46 0.00 0.00 175.22 175.94 1wqs s THR 56 N -1.48 -0.03 -0.07 0.12 2.01 -0.09 -1.46 115.64 114.65 1wqs s THR 56 Ca 0.35 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1wqs s THR 56 Cb -0.13 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1wqs s THR 56 CO 0.21 0.04 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.39 1wqs s GLN 57 N 0.74 2.69 -0.23 4.92 0.74 -0.15 -1.48 119.66 126.90 1wqs s GLN 57 Ca -0.05 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.52 1wqs s GLN 57 Cb -0.07 -2.29 0.02 0.00 1.10 0.00 0.00 33.01 31.77 1wqs s GLN 57 CO -0.04 0.41 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.95 1wqs s PHE 58 N -0.20 2.98 -0.24 1.67 0.08 0.87 -1.44 117.98 121.70 1wqs s PHE 58 Ca -0.02 -1.48 -0.15 0.00 0.12 0.00 0.00 56.93 55.40 1wqs s PHE 58 Cb -0.13 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1wqs s PHE 58 CO 0.03 -0.72 0.37 0.50 -0.10 0.00 0.00 175.22 175.31 1wqs s ARG 59 N 1.34 4.09 0.51 0.44 3.52 -0.45 0.10 118.95 128.50 1wqs s ARG 59 Ca 0.02 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1wqs s ARG 59 Cb -0.15 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1wqs s ARG 59 CO -0.06 -0.14 0.73 -0.06 -0.81 0.00 0.00 175.30 174.96 1wqs s PHE 60 N 1.65 2.99 -0.06 5.12 0.40 -0.73 -1.61 117.98 125.74 1wqs s PHE 60 Ca 0.16 0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.36 1wqs s PHE 60 Cb -0.15 -2.59 -0.16 0.00 0.51 0.00 0.00 43.02 40.63 1wqs s PHE 60 CO 0.08 -0.68 0.80 0.77 0.70 0.00 0.00 175.22 176.89 1wqs h SER 61 N 0.20 -0.15 -4.11 1.36 0.02 -1.89 -3.47 113.55 105.51 1wqs h SER 61 Ca -0.43 -0.40 -0.69 0.00 -0.84 0.00 0.00 61.79 59.43 1wqs h SER 61 Cb 1.28 0.04 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 1wqs h SER 61 CO 0.54 0.45 -0.80 0.00 -1.14 0.00 0.00 176.83 175.88 1wqs s ARG 62 N -3.16 2.34 -0.29 3.45 1.70 -1.26 -5.08 118.95 116.65 1wqs s ARG 62 Ca -0.12 -0.80 -0.40 0.00 -0.47 0.00 0.00 55.73 53.94 1wqs s ARG 62 Cb 0.00 -2.28 -0.15 0.00 -0.57 0.00 0.00 34.95 31.95 1wqs s ARG 62 CO 0.46 0.59 1.81 1.63 -1.08 0.00 0.00 175.30 178.72 1wqs n LYS 63 N 2.15 1.13 -0.18 3.89 5.02 -1.26 -4.73 118.16 124.18 1wqs n LYS 63 Ca -0.17 0.40 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 1wqs n LYS 63 Cb 0.52 -2.13 0.17 0.00 -0.02 0.00 0.00 35.03 33.57 1wqs n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wqs n VAL 64 N 4.96 0.76 -2.85 -0.18 0.31 -0.22 -4.67 118.33 116.44 1wqs n VAL 64 Ca 0.29 -0.88 -0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1wqs n VAL 64 Cb 0.14 0.70 0.01 0.00 -0.91 0.00 0.00 33.84 33.77 1wqs n VAL 64 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1wqs s ARG 65 N -1.06 0.49 0.00 5.55 6.06 -1.23 -5.00 118.95 123.76 1wqs s ARG 65 Ca 0.28 -0.32 0.27 0.00 -2.50 0.00 0.00 55.73 53.46 1wqs s ARG 65 Cb 0.16 0.02 0.79 0.00 0.06 0.00 0.00 34.95 35.98 1wqs s ARG 65 CO 0.21 -0.66 1.59 -2.30 -2.50 0.00 0.00 175.30 171.64 1wqs n PRO 66 N 3.46 0.88 0.28 5.12 -0.02 -1.26 -3.23 135.00 140.22 1wqs n PRO 66 Ca 0.10 -0.51 0.17 0.00 -2.02 0.00 0.00 63.50 61.25 1wqs n PRO 66 Cb 0.61 -1.49 0.72 0.00 -0.02 0.00 0.00 33.50 33.32 1wqs n PRO 66 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1wqs h ASP 67 N 1.24 0.00 -1.04 2.55 2.03 -1.99 -3.45 116.42 115.76 1wqs h ASP 67 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 1wqs h ASP 67 Cb 0.50 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.87 1wqs h ASP 67 CO 0.00 0.01 -0.51 -1.48 -1.03 0.00 0.00 179.24 176.23 1wqs s LEU 68 N -6.23 2.21 0.28 0.15 0.05 -1.20 -5.12 118.68 108.83 1wqs s LEU 68 Ca 0.01 -1.67 0.10 0.00 0.05 0.00 0.00 54.13 52.62 1wqs s LEU 68 Cb 0.09 -0.57 -0.05 0.00 -2.05 0.00 0.00 46.19 43.62 1wqs s LEU 68 CO 0.54 -0.88 -0.03 0.28 -0.55 0.00 0.00 176.35 175.71 1wqs s THR 69 N -2.96 3.12 -0.16 5.48 -1.32 -1.26 -4.55 115.64 113.99 1wqs s THR 69 Ca 0.10 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.52 1wqs s THR 69 Cb 0.02 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 1wqs s THR 69 CO 0.06 -0.34 0.04 -0.83 -2.21 0.00 0.00 174.62 171.33 1wqs s GLY 70 N -3.66 1.87 0.46 6.08 0.00 -1.26 -4.61 107.32 106.19 1wqs s GLY 70 Ca 0.32 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1wqs s GLY 70 CO 0.19 -0.05 0.33 -3.16 0.00 0.00 0.00 173.10 170.41 1wqs s MET 71 N 0.19 2.35 0.08 2.90 0.23 -0.92 -5.01 119.30 119.12 1wqs s MET 71 Ca 0.03 -1.78 -0.30 0.00 -1.03 0.00 0.00 55.69 52.61 1wqs s MET 71 Cb -0.13 -2.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.95 1wqs s MET 71 CO 0.01 -0.30 1.08 0.08 -2.03 0.00 0.00 175.02 173.86 1wqs s VAL 72 N -2.60 4.27 -0.30 5.16 1.01 -1.26 -4.91 120.40 121.77 1wqs s VAL 72 Ca 0.42 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1wqs s VAL 72 Cb -0.01 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.32 1wqs s VAL 72 CO 0.24 0.20 -0.01 -0.22 0.00 0.00 0.00 175.10 175.31 1wqs s LEU 73 N 0.51 4.02 0.84 3.92 0.20 -1.26 -1.55 118.68 125.36 1wqs s LEU 73 Ca 0.53 -1.54 -0.09 0.00 0.69 0.00 0.00 54.13 53.71 1wqs s LEU 73 Cb -0.26 -1.65 0.16 0.00 -0.43 0.00 0.00 46.19 44.00 1wqs s LEU 73 CO 0.30 -0.28 1.17 -1.61 -0.29 0.00 0.00 176.35 175.64 1wqs s GLU 74 N 1.13 1.20 0.24 1.98 2.02 0.65 -4.96 118.70 120.95 1wqs s GLU 74 Ca -0.03 -0.66 0.24 0.00 0.02 0.00 0.00 54.97 54.55 1wqs s GLU 74 Cb -0.20 -2.06 0.92 0.00 0.10 0.00 0.00 34.13 32.89 1wqs s GLU 74 CO -0.04 -1.93 1.73 0.39 0.02 0.00 0.00 175.26 175.44 1wqs n GLU 75 N -3.33 0.21 -3.84 1.61 1.02 -1.26 -4.58 120.64 110.48 1wqs n GLU 75 Ca 0.14 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1wqs n GLU 75 Cb 0.60 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1wqs n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wqs n GLY 76 N 0.47 -2.59 2.90 0.62 0.00 -1.21 -3.75 105.19 101.63 1wqs n GLY 76 Ca 0.03 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.87 4.41 0.27 0.00 0.04 -1.26 -4.90 135.00 129.69 1wqs s PRO 78 Ca 0.38 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1wqs s PRO 78 Cb -0.03 -2.68 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 1wqs s PRO 78 CO 0.24 0.24 1.42 -1.91 0.04 0.00 0.00 177.00 177.03 1wqs n GLU 79 N 0.31 2.20 0.00 4.56 2.13 -1.26 -1.69 120.64 126.88 1wqs n GLU 79 Ca 0.02 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1wqs n GLU 79 Cb 0.51 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1wqs n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wqs n GLY 80 N 1.83 2.28 3.76 8.31 0.00 0.52 -4.98 105.19 116.91 1wqs n GLY 80 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1wqs n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wqs s VAL 81 N -2.29 2.88 -0.25 1.61 1.01 -0.69 -4.57 120.40 118.11 1wqs s VAL 81 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 1wqs s VAL 81 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1wqs s VAL 81 CO 0.00 -0.11 0.15 -0.69 0.00 0.00 0.00 175.10 174.45 1wqs s VAL 82 N -1.66 5.19 0.52 2.92 1.01 -1.26 -1.27 120.40 125.84 1wqs s VAL 82 Ca 0.75 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1wqs s VAL 82 Cb -0.28 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1wqs s VAL 82 CO 0.30 0.32 0.46 0.00 0.00 0.00 0.00 175.10 176.18 1wqs s SER 84 N -4.30 1.70 -0.25 0.00 0.01 -0.54 -1.52 113.70 108.80 1wqs s SER 84 Ca 0.42 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 1wqs s SER 84 Cb -0.03 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 1wqs s SER 84 CO 0.26 0.07 0.60 -0.63 0.41 0.00 0.00 173.24 173.95 1wqs s ILE 85 N 0.39 5.01 -1.21 1.44 1.09 0.15 -1.56 121.20 126.51 1wqs s ILE 85 Ca -0.09 1.07 -0.16 0.00 -1.10 0.00 0.00 60.65 60.37 1wqs s ILE 85 Cb -0.13 -3.91 0.13 0.00 -1.06 0.00 0.00 42.46 37.49 1wqs s ILE 85 CO 0.02 0.05 1.51 -0.76 -0.10 0.00 0.00 174.94 175.66 1wqs s LEU 86 N 2.43 4.57 -0.33 2.97 1.02 0.52 -2.45 118.68 127.40 1wqs s LEU 86 Ca 0.25 -2.66 -0.20 0.00 0.02 0.00 0.00 54.13 51.54 1wqs s LEU 86 Cb -0.16 -2.47 -0.00 0.00 0.02 0.00 0.00 46.19 43.58 1wqs s LEU 86 CO 0.09 -0.95 0.61 -0.63 0.02 0.00 0.00 176.35 175.49 1wqs s ILE 87 N 2.71 4.93 0.09 -0.59 1.01 -1.18 -4.28 121.20 123.90 1wqs s ILE 87 Ca 0.46 0.65 -0.14 0.00 0.00 0.00 0.00 60.65 61.62 1wqs s ILE 87 Cb -0.01 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1wqs s ILE 87 CO 0.01 -0.23 0.48 -0.54 0.00 0.00 0.00 174.94 174.67 1wqs s LYS 88 N 2.62 3.93 0.44 2.79 1.02 -1.26 -0.37 119.74 128.90 1wqs s LYS 88 Ca 0.24 0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.72 1wqs s LYS 88 Cb -0.15 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1wqs s LYS 88 CO 0.13 0.56 0.40 1.03 -0.92 0.00 0.00 175.35 176.55 1wqs s ARG 89 N -1.70 2.50 0.02 1.68 1.81 -0.50 -4.89 118.95 117.86 1wqs s ARG 89 Ca 0.33 -1.59 0.25 0.00 -1.72 0.00 0.00 55.73 53.01 1wqs s ARG 89 Cb -0.15 -2.36 0.60 0.00 -0.45 0.00 0.00 34.95 32.58 1wqs s ARG 89 CO 0.18 -0.27 1.48 -0.25 -0.68 0.00 0.00 175.30 175.76 1wqs n ASP 90 N -1.61 0.45 -0.39 0.23 8.00 -1.26 -3.45 116.55 118.53 1wqs n ASP 90 Ca 0.04 -0.07 0.04 0.00 0.71 0.00 0.00 54.79 55.50 1wqs n ASP 90 Cb 0.62 0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.95 1wqs n ASP 90 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wqs n SER 91 N -1.60 1.14 0.00 -2.24 7.64 -1.26 -4.94 113.62 112.37 1wqs n SER 91 Ca 0.05 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1wqs n SER 91 Cb 0.35 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1wqs n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wqs n GLY 92 N 0.85 2.36 1.60 0.23 0.00 -1.22 -5.05 105.19 103.95 1wqs n GLY 92 Ca 0.08 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1wqs n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wqs n GLU 93 N 0.00 0.00 -4.07 1.61 1.02 -1.26 -4.57 120.64 113.37 1wqs n GLU 93 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1wqs n GLU 93 Cb 0.00 -0.68 -0.10 0.00 -0.02 0.00 0.00 31.44 30.64 1wqs n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wqs s LEU 94 N 0.10 3.68 -0.35 -4.62 1.02 -1.26 -1.41 118.68 115.84 1wqs s LEU 94 Ca 0.42 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1wqs s LEU 94 Cb -0.58 -1.93 0.14 0.00 0.02 0.00 0.00 46.19 43.84 1wqs s LEU 94 CO 0.27 0.16 0.21 -0.76 0.02 0.00 0.00 176.35 176.25 1wqs s LEU 95 N 0.45 0.99 -0.54 1.79 1.02 0.50 -5.03 118.68 117.86 1wqs s LEU 95 Ca 0.02 -2.20 -0.26 0.00 0.02 0.00 0.00 54.13 51.71 1wqs s LEU 95 Cb -0.13 -0.40 0.03 0.00 0.02 0.00 0.00 46.19 45.71 1wqs s LEU 95 CO 0.01 -0.31 1.04 -2.16 0.02 0.00 0.00 176.35 174.95 1wqs s PRO 96 N 1.06 3.46 -0.07 1.29 0.04 -1.26 -3.11 135.00 136.40 1wqs s PRO 96 Ca 0.18 0.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 1wqs s PRO 96 Cb -0.23 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1wqs s PRO 96 CO 0.01 -1.49 0.70 -0.51 0.04 0.00 0.00 177.00 175.75 1wqs s LEU 97 N 4.28 4.31 0.30 -3.56 1.43 -1.03 -4.86 118.68 119.56 1wqs s LEU 97 Ca 0.37 1.18 -0.27 0.00 -1.03 0.00 0.00 54.13 54.38 1wqs s LEU 97 Cb -0.10 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.94 1wqs s LEU 97 CO 0.24 -0.13 0.96 0.00 0.23 0.00 0.00 176.35 177.64 1wqs s ALA 98 N 0.89 3.25 0.06 4.21 0.00 -1.26 0.30 121.76 129.21 1wqs s ALA 98 Ca 0.37 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 1wqs s ALA 98 Cb -0.18 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1wqs s ALA 98 CO 0.18 0.14 0.15 0.14 0.00 0.00 0.00 175.76 176.37 1wqs s VAL 99 N -1.47 0.14 -0.05 0.00 -7.23 -0.57 -0.49 120.40 110.72 1wqs s VAL 99 Ca 0.48 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 1wqs s VAL 99 Cb -0.22 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1wqs s VAL 99 CO 0.27 -0.63 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.60 1wqs s ARG 100 N -3.26 2.38 -0.03 4.82 6.06 0.59 -1.74 118.95 127.77 1wqs s ARG 100 Ca 0.00 -0.85 -0.16 0.00 -2.50 0.00 0.00 55.73 52.22 1wqs s ARG 100 Cb 0.02 -2.03 -0.05 0.00 0.06 0.00 0.00 34.95 32.95 1wqs s ARG 100 CO -0.08 0.36 0.44 -1.64 -2.50 0.00 0.00 175.30 171.89 1wqs s MET 101 N -0.14 4.09 0.00 5.12 -1.94 -0.40 -1.86 119.30 124.16 1wqs s MET 101 Ca -0.03 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1wqs s MET 101 Cb -0.13 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1wqs s MET 101 CO 0.03 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 175.97 1wqs n GLY 102 N 2.26 6.11 3.75 -0.03 0.00 -0.71 0.20 105.19 116.77 1wqs n GLY 102 Ca -0.11 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 1.95 0.52 4.61 0.00 -1.26 -4.47 121.76 121.11 1wqs s ALA 103 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1wqs s ALA 103 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1wqs s ALA 103 CO 0.00 -2.00 0.92 0.42 0.00 0.00 0.00 175.76 175.10 1wqs s ILE 104 N -2.96 4.71 -0.01 0.00 1.01 -1.26 -1.49 121.20 121.19 1wqs s ILE 104 Ca 0.62 0.82 -0.28 0.00 0.00 0.00 0.00 60.65 61.80 1wqs s ILE 104 Cb -0.17 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.60 1wqs s ILE 104 CO 0.56 -0.83 1.27 0.00 0.00 0.00 0.00 174.94 175.95 1wqs s ALA 105 N -2.77 -2.44 -0.17 9.38 0.00 -0.70 -4.84 121.76 120.23 1wqs s ALA 105 Ca 0.54 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1wqs s ALA 105 Cb -0.10 0.92 0.06 0.00 0.00 0.00 0.00 23.12 23.99 1wqs s ALA 105 CO 0.41 -1.15 0.42 0.45 0.00 0.00 0.00 175.76 175.88 1wqs s SER 106 N -3.83 -0.51 0.22 0.00 0.15 -1.26 -1.71 113.70 106.76 1wqs s SER 106 Ca 0.30 0.90 -0.01 0.00 0.70 0.00 0.00 55.95 57.83 1wqs s SER 106 Cb -0.01 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 65.06 1wqs s SER 106 CO -0.00 -0.19 0.19 0.00 1.20 0.00 0.00 173.24 174.44 1wqs s MET 107 N 1.24 1.32 -0.67 5.44 0.23 -0.63 -4.94 119.30 121.30 1wqs s MET 107 Ca -0.08 -1.64 -0.03 0.00 -1.03 0.00 0.00 55.69 52.90 1wqs s MET 107 Cb -0.08 0.30 0.17 0.00 -1.53 0.00 0.00 34.83 33.70 1wqs s MET 107 CO -0.11 -0.46 0.49 -1.59 -2.03 0.00 0.00 175.02 171.32 1wqs s LYS 108 N -4.03 2.68 0.08 3.16 0.00 -1.26 -1.35 119.74 119.02 1wqs s LYS 108 Ca 0.37 -2.65 -0.24 0.00 0.00 0.00 0.00 55.97 53.45 1wqs s LYS 108 Cb 0.06 -3.77 -0.16 0.00 0.00 0.00 0.00 37.83 33.96 1wqs s LYS 108 CO 0.14 -1.19 1.69 -0.84 0.00 0.00 0.00 175.35 175.15 1wqs h ILE 109 N 5.09 0.94 0.00 3.79 -0.00 -1.86 -3.45 117.51 122.02 1wqs h ILE 109 Ca 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.79 1wqs h ILE 109 Cb 0.93 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.74 1wqs h ILE 109 CO 0.73 0.02 0.00 1.67 -0.00 0.00 0.00 178.15 180.57 1wqs n GLN 110 N -5.12 0.00 0.00 0.16 -0.06 -1.26 -4.78 117.38 106.32 1wqs n GLN 110 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 1wqs n GLN 110 Cb 0.09 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.27 1wqs n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wqs n GLY 111 N 1.63 -0.94 0.69 1.69 0.00 -1.26 -5.00 105.19 102.00 1wqs n GLY 111 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1wqs n GLY 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wqs n ARG 112 N 0.00 0.31 -3.03 1.61 0.00 -1.26 -5.00 116.66 109.28 1wqs n ARG 112 Ca 0.00 -0.45 -0.41 0.00 -0.00 0.00 0.00 57.85 56.99 1wqs n ARG 112 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 32.46 32.26 1wqs n ARG 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1wqs s LEU 113 N 0.00 4.14 -0.00 6.15 2.96 -1.26 -2.48 118.68 128.19 1wqs s LEU 113 Ca 0.12 0.94 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 1wqs s LEU 113 Cb -0.01 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 1wqs s LEU 113 CO 0.08 -0.33 -0.22 0.68 -1.32 0.00 0.00 176.35 175.24 1wqs s VAL 114 N 2.08 2.41 0.06 1.68 -7.23 -0.45 -4.95 120.40 114.00 1wqs s VAL 114 Ca 0.32 -1.10 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 1wqs s VAL 114 Cb -0.16 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1wqs s VAL 114 CO 0.11 0.50 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.92 1wqs s HIS 115 N -0.73 1.68 -2.31 2.82 2.46 -1.26 -1.60 115.29 116.35 1wqs s HIS 115 Ca 0.11 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.26 1wqs s HIS 115 Cb -0.10 -0.98 0.00 0.00 -0.13 0.00 0.00 32.58 31.37 1wqs s HIS 115 CO 0.01 0.11 0.00 0.41 -2.47 0.00 0.00 174.74 172.80 1wqs n GLY 116 N 1.63 -1.32 3.60 1.59 0.00 -0.69 -4.65 105.19 105.34 1wqs n GLY 116 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.94 3.86 0.68 1.61 0.74 0.81 -1.71 119.66 124.70 1wqs s GLN 117 Ca 0.00 0.42 -0.12 0.00 0.05 0.00 0.00 55.36 55.71 1wqs s GLN 117 Cb 0.00 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.35 1wqs s GLN 117 CO 0.00 -0.74 1.06 -1.54 -0.55 0.00 0.00 175.29 173.53 1wqs s SER 118 N 1.72 5.37 0.17 6.67 1.04 -0.56 0.01 113.70 128.12 1wqs s SER 118 Ca 0.31 1.71 -0.16 0.00 0.48 0.00 0.00 55.95 58.29 1wqs s SER 118 Cb -0.14 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1wqs s SER 118 CO 0.14 -1.45 0.46 -0.83 0.98 0.00 0.00 173.24 172.54 1wqs s GLY 119 N -3.42 -0.08 -0.09 7.32 0.00 0.67 -1.74 107.32 109.98 1wqs s GLY 119 Ca 0.60 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 45.10 1wqs s GLY 119 CO 0.50 -0.34 -0.17 -0.29 0.00 0.00 0.00 173.10 172.79 1wqs s MET 120 N -3.86 2.30 0.04 2.90 1.75 -0.78 0.23 119.30 121.88 1wqs s MET 120 Ca 0.08 -0.61 -0.18 0.00 -1.25 0.00 0.00 55.69 53.73 1wqs s MET 120 Cb 0.00 -1.83 -0.06 0.00 2.84 0.00 0.00 34.83 35.78 1wqs s MET 120 CO -0.05 0.06 0.51 -0.51 -0.65 0.00 0.00 175.02 174.37 1wqs s LEU 121 N 0.62 4.50 -1.07 4.11 1.02 -0.87 -0.30 118.68 126.69 1wqs s LEU 121 Ca -0.14 1.14 -0.04 0.00 0.02 0.00 0.00 54.13 55.11 1wqs s LEU 121 Cb -0.16 -2.77 0.31 0.00 0.02 0.00 0.00 46.19 43.58 1wqs s LEU 121 CO 0.04 0.29 1.53 0.18 0.02 0.00 0.00 176.35 178.41 1wqs n LEU 122 N 1.80 6.54 -4.28 1.79 4.32 0.35 -4.93 117.00 122.60 1wqs n LEU 122 Ca -0.12 -5.24 -0.15 0.00 -0.02 0.00 0.00 56.01 50.48 1wqs n LEU 122 Cb 0.51 -1.25 -0.10 0.00 -1.62 0.00 0.00 43.42 40.96 1wqs n LEU 122 CO 0.40 1.75 -0.29 0.42 -1.22 0.00 0.00 177.39 178.44 1wqs s THR 123 N -3.02 0.62 0.00 -5.08 -4.23 -1.26 -4.78 115.64 97.89 1wqs s THR 123 Ca 0.32 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1wqs s THR 123 Cb 0.07 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1wqs s THR 123 CO 0.08 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1wqs n GLY 124 N -0.35 0.00 2.62 3.99 0.00 -1.26 -4.31 105.19 105.88 1wqs n GLY 124 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.71 -3.41 4.61 0.00 -1.26 -5.11 120.51 119.06 1wqs n ALA 125 Ca 0.00 -4.26 0.07 0.00 0.00 0.00 0.00 53.44 49.25 1wqs n ALA 125 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.64 1wqs n ALA 125 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wqs n ASN 126 N 0.11 -0.49 -4.52 0.00 4.13 -1.26 -4.76 115.26 108.47 1wqs n ASN 126 Ca 0.29 -1.10 -0.25 0.00 1.68 0.00 0.00 54.58 55.19 1wqs n ASN 126 Cb 0.48 0.76 -0.11 0.00 -1.54 0.00 0.00 39.78 39.38 1wqs n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wqs s ALA 127 N -1.41 2.78 0.04 5.41 0.00 -1.19 -4.41 121.76 122.99 1wqs s ALA 127 Ca 0.12 -2.09 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 1wqs s ALA 127 Cb -0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1wqs s ALA 127 CO -0.00 -0.04 0.07 1.17 0.00 0.00 0.00 175.76 176.96 1wqs n LYS 128 N -0.77 0.10 0.00 0.00 4.81 -1.26 -4.39 118.16 116.66 1wqs n LYS 128 Ca -0.05 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.16 1wqs n LYS 128 Cb 0.65 0.27 0.00 0.00 0.02 0.00 0.00 35.03 35.97 1wqs n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wqs n GLY 129 N -0.05 0.00 2.81 3.14 0.00 -1.26 -3.49 105.19 106.33 1wqs n GLY 129 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1wqs n GLY 129 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wqs s MET 130 N -2.93 0.01 0.00 1.61 -1.94 -1.26 -5.21 119.30 109.58 1wqs s MET 130 Ca 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 1wqs s MET 130 Cb 0.00 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.53 1wqs s MET 130 CO 0.00 -0.27 0.00 -0.25 -0.01 0.00 0.00 175.02 174.49 1wqs n ASP 131 N 5.00 0.00 -0.11 3.03 9.92 -1.23 -5.08 116.55 128.08 1wqs n ASP 131 Ca -0.11 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.23 1wqs n ASP 131 Cb 0.50 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 1wqs n ASP 131 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wqs n LEU 132 N 0.00 1.04 0.00 0.64 4.32 -1.26 -5.06 117.00 116.67 1wqs n LEU 132 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 1wqs n LEU 132 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1wqs n LEU 132 CO 0.00 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1wqs n GLY 133 N 1.33 5.90 3.85 -0.72 0.00 -1.26 -4.81 105.19 109.48 1wqs n GLY 133 Ca 0.04 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1wqs n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wqs s THR 134 N 0.84 4.49 0.11 2.61 -4.23 -1.26 -5.07 115.64 113.14 1wqs s THR 134 Ca 0.00 0.86 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 1wqs s THR 134 Cb 0.00 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1wqs s THR 134 CO 0.00 -1.01 -0.20 -0.22 -0.54 0.00 0.00 174.62 172.65 1wqs s LEU 135 N -5.13 2.32 0.37 4.79 2.96 -1.26 -4.96 118.68 117.77 1wqs s LEU 135 Ca 0.56 -0.72 0.17 0.00 -0.22 0.00 0.00 54.13 53.92 1wqs s LEU 135 Cb -0.12 -0.87 1.08 0.00 0.50 0.00 0.00 46.19 46.78 1wqs s LEU 135 CO 0.51 0.04 1.72 -0.65 -1.32 0.00 0.00 176.35 176.66 1wqs h PRO 136 N 3.94 0.39 0.00 0.98 0.11 -2.01 0.12 132.00 135.53 1wqs h PRO 136 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wqs h PRO 136 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wqs h PRO 136 CO 0.41 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1wqs n GLY 137 N -1.40 -0.96 0.02 -0.55 0.00 -1.26 -3.74 105.19 97.29 1wqs n GLY 137 Ca 0.28 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.15 0.12 -4.36 1.61 8.00 0.40 -4.41 116.55 116.77 1wqs n ASP 138 Ca 0.16 0.52 -0.40 0.00 0.71 0.00 0.00 54.79 55.78 1wqs n ASP 138 Cb 0.14 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1wqs n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wqs n GLY 140 N 2.14 3.37 3.80 0.00 0.00 0.18 -1.80 105.19 112.89 1wqs n GLY 140 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1wqs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqs s ALA 141 N -2.83 2.87 0.58 4.61 0.00 -0.94 -4.03 121.76 122.03 1wqs s ALA 141 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1wqs s ALA 141 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1wqs s ALA 141 CO 0.00 -0.31 1.02 -1.25 0.00 0.00 0.00 175.76 175.22 1wqs s PRO 142 N -3.22 3.61 -0.33 0.00 0.04 -1.26 -0.91 135.00 132.92 1wqs s PRO 142 Ca 0.67 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wqs s PRO 142 Cb -0.16 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1wqs s PRO 142 CO 0.20 -0.56 0.03 0.71 0.04 0.00 0.00 177.00 177.42 1wqs s TYR 143 N -2.77 3.56 0.36 0.56 4.12 -0.82 -0.36 117.35 122.00 1wqs s TYR 143 Ca 0.59 -2.62 0.08 0.00 0.02 0.00 0.00 57.07 55.14 1wqs s TYR 143 Cb -0.12 -2.63 -0.03 0.00 -1.52 0.00 0.00 41.96 37.65 1wqs s TYR 143 CO 0.41 -0.92 0.24 0.14 0.02 0.00 0.00 175.55 175.44 1wqs s VAL 144 N 1.03 3.07 -0.04 0.71 -7.23 -0.60 -1.71 120.40 115.63 1wqs s VAL 144 Ca 0.04 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 1wqs s VAL 144 Cb -0.20 -3.05 0.09 0.00 0.56 0.00 0.00 36.38 33.78 1wqs s VAL 144 CO -0.06 -0.13 0.80 -0.72 -0.31 0.00 0.00 175.10 174.68 1wqs s TYR 145 N -2.41 -0.49 -0.20 2.82 -0.85 -0.78 -1.46 117.35 113.98 1wqs s TYR 145 Ca 0.41 0.66 -0.11 0.00 -0.52 0.00 0.00 57.07 57.50 1wqs s TYR 145 Cb -0.03 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 1wqs s TYR 145 CO 0.25 -0.56 0.19 -1.59 -1.52 0.00 0.00 175.55 172.32 1wqs s LYS 146 N -2.01 4.17 0.00 -3.49 0.00 -1.26 -0.92 119.74 116.23 1wqs s LYS 146 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 55.97 55.81 1wqs s LYS 146 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 37.83 34.36 1wqs s LYS 146 CO -0.00 0.20 0.00 -2.13 0.00 0.00 0.00 175.35 173.41 1wqs n ARG 147 N 3.81 0.00 0.00 1.78 0.63 0.34 -4.93 116.66 118.29 1wqs n ARG 147 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1wqs n ARG 147 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1wqs n ARG 147 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1wqs n ASN 148 N 0.00 0.00 -0.26 6.15 0.23 -1.26 -4.34 115.26 115.78 1wqs n ASN 148 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1wqs n ASN 148 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1wqs n ASN 148 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1wqs n ASN 149 N 0.00 1.74 -4.66 0.53 2.04 -1.26 -5.01 115.26 108.64 1wqs n ASN 149 Ca 0.00 -1.44 -0.26 0.00 -0.44 0.00 0.00 54.58 52.45 1wqs n ASN 149 Cb 0.00 -0.03 -0.09 0.00 -2.53 0.00 0.00 39.78 37.13 1wqs n ASN 149 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 1wqs s ASP 150 N -0.62 4.15 -0.11 0.53 1.11 -1.26 -5.12 116.67 115.35 1wqs s ASP 150 Ca 0.08 -1.16 -0.05 0.00 0.18 0.00 0.00 52.55 51.60 1wqs s ASP 150 Cb 0.05 -0.46 -0.04 0.00 1.07 0.00 0.00 42.92 43.54 1wqs s ASP 150 CO 0.08 -0.42 0.09 0.26 1.18 0.00 0.00 175.17 176.36 1wqs s TRP 151 N -2.62 3.45 0.19 4.23 0.51 -1.26 0.13 118.94 123.57 1wqs s TRP 151 Ca 0.37 0.42 0.03 0.00 -2.12 0.00 0.00 56.10 54.80 1wqs s TRP 151 Cb 0.05 -1.89 -0.05 0.00 -0.81 0.00 0.00 33.47 30.77 1wqs s TRP 151 CO 0.20 0.65 -0.04 0.14 -0.51 0.00 0.00 176.95 177.39 1wqs s VAL 152 N -0.97 0.99 -0.12 4.03 -7.23 -0.10 -4.40 120.40 112.61 1wqs s VAL 152 Ca 0.14 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1wqs s VAL 152 Cb -0.12 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1wqs s VAL 152 CO 0.03 -0.51 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.46 1wqs s VAL 153 N -3.45 1.64 -0.80 1.32 1.01 -0.59 -1.87 120.40 117.66 1wqs s VAL 153 Ca 0.23 -0.72 0.14 0.00 0.00 0.00 0.00 61.98 61.64 1wqs s VAL 153 Cb 0.05 -1.49 -0.12 0.00 0.00 0.00 0.00 36.38 34.81 1wqs s VAL 153 CO 0.05 0.47 0.64 0.00 0.00 0.00 0.00 175.10 176.25 1wqs n GLY 155 N 1.29 -1.96 3.31 0.00 0.00 -1.25 -3.31 105.19 103.27 1wqs n GLY 155 Ca 0.03 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.58 1.48 -0.27 1.61 -7.23 -0.46 -1.95 120.40 111.00 1wqs s VAL 156 Ca 0.00 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 1wqs s VAL 156 Cb 0.00 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.98 1wqs s VAL 156 CO 0.00 -0.65 1.07 -2.28 -0.31 0.00 0.00 175.10 172.93 1wqs s HIS 157 N -3.13 3.21 -0.14 2.82 2.46 -0.09 0.23 115.29 120.65 1wqs s HIS 157 Ca 0.20 1.30 0.09 0.00 0.47 0.00 0.00 55.06 57.12 1wqs s HIS 157 Cb 0.01 -3.51 -0.14 0.00 -0.13 0.00 0.00 32.58 28.81 1wqs s HIS 157 CO 0.04 -0.71 -0.01 0.00 -2.47 0.00 0.00 174.74 171.60 1wqs n ALA 158 N 6.64 1.67 0.00 1.58 0.00 -0.17 0.52 120.51 130.76 1wqs n ALA 158 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1wqs n ALA 158 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1wqs n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wqs n ALA 159 N -2.62 0.00 -3.60 0.00 0.00 -0.88 -4.96 120.51 108.46 1wqs n ALA 159 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 1wqs n ALA 159 Cb 0.89 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 1wqs n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wqs s ALA 160 N -1.30 -1.84 0.14 0.00 0.00 -1.26 -0.70 121.76 116.80 1wqs s ALA 160 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 1wqs s ALA 160 Cb 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 1wqs s ALA 160 CO 0.00 -0.32 1.22 0.95 0.00 0.00 0.00 175.76 177.61 1wqs s THR 161 N -0.27 3.68 0.57 0.00 -4.23 -0.86 -4.93 115.64 109.59 1wqs s THR 161 Ca -0.02 1.32 -0.20 0.00 -1.18 0.00 0.00 61.69 61.61 1wqs s THR 161 Cb -0.03 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1wqs s THR 161 CO 0.02 0.17 1.20 -0.75 -0.54 0.00 0.00 174.62 174.72 1wqs s LYS 162 N 0.30 3.14 -0.19 3.99 2.47 -1.26 -3.86 119.74 124.33 1wqs s LYS 162 Ca 0.56 1.82 -0.08 0.00 -1.56 0.00 0.00 55.97 56.70 1wqs s LYS 162 Cb -0.32 -2.02 0.01 0.00 -1.46 0.00 0.00 37.83 34.04 1wqs s LYS 162 CO 0.34 -1.07 0.16 -1.13 0.16 0.00 0.00 175.35 173.81 1wqs n SER 163 N -1.38 -6.87 0.00 1.43 3.41 -1.26 -4.92 113.62 104.03 1wqs n SER 163 Ca 0.12 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1wqs n SER 163 Cb 0.49 -2.86 0.00 0.00 -0.26 0.00 0.00 64.21 61.59 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 0.76 0.26 0.06 5.00 0.00 -1.25 -4.94 105.19 105.08 1wqs n GLY 164 Ca -0.00 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 44.92 1wqs n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wqs n ASN 165 N 0.00 0.77 -4.75 1.61 5.03 -1.26 -3.14 115.26 113.53 1wqs n ASN 165 Ca 0.00 -0.89 -0.40 0.00 0.87 0.00 0.00 54.58 54.16 1wqs n ASN 165 Cb 0.00 0.89 -0.05 0.00 -1.02 0.00 0.00 39.78 39.60 1wqs n ASN 165 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1wqs s THR 166 N -2.10 3.96 0.05 3.41 2.01 -1.26 -2.04 115.64 119.67 1wqs s THR 166 Ca 0.06 1.85 0.05 0.00 0.31 0.00 0.00 61.69 63.96 1wqs s THR 166 Cb 0.10 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1wqs s THR 166 CO 0.49 0.39 -0.15 0.54 -0.69 0.00 0.00 174.62 175.19 1wqs s VAL 167 N -0.78 1.22 -0.16 3.82 0.11 0.63 -2.04 120.40 123.20 1wqs s VAL 167 Ca 0.45 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1wqs s VAL 167 Cb -0.28 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1wqs s VAL 167 CO 0.34 -0.03 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.21 1wqs s VAL 168 N -0.96 2.28 -0.19 2.04 1.01 0.12 -0.24 120.40 124.46 1wqs s VAL 168 Ca 0.02 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1wqs s VAL 168 Cb -0.09 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1wqs s VAL 168 CO 0.02 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.77 1wqs s ALA 170 N 0.20 3.49 0.13 0.00 0.00 0.62 -0.13 121.76 126.08 1wqs s ALA 170 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1wqs s ALA 170 Cb -0.11 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1wqs s ALA 170 CO -0.01 0.33 0.10 0.14 0.00 0.00 0.00 175.76 176.32 1wqs s VAL 171 N -2.00 0.11 0.25 0.00 -7.23 -1.26 -1.35 120.40 108.91 1wqs s VAL 171 Ca 0.49 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.83 1wqs s VAL 171 Cb -0.11 -1.92 0.29 0.00 0.56 0.00 0.00 36.38 35.20 1wqs s VAL 171 CO 0.24 -0.49 1.63 1.56 -0.31 0.00 0.00 175.10 177.73 1wqs h GLN 172 N 2.82 0.09 0.00 4.82 4.20 -1.83 -3.42 115.11 121.79 1wqs h GLN 172 Ca -0.34 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1wqs h GLN 172 Cb 1.20 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1wqs h GLN 172 CO 0.57 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.79