#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1w s ASP 2 N 0.00 -0.32 0.31 7.83 -1.08 -1.26 -5.02 116.67 117.13 1a1w s ASP 2 Ca 0.00 -0.33 0.08 0.00 -0.52 0.00 0.00 52.55 51.78 1a1w s ASP 2 Cb 0.00 0.42 0.88 0.00 -1.46 0.00 0.00 42.92 42.76 1a1w s ASP 2 CO 0.00 -0.02 1.69 -0.65 0.52 0.00 0.00 175.17 176.71 1a1w h PRO 3 N 4.52 0.38 -0.51 4.34 0.11 -2.00 0.13 132.00 138.97 1a1w h PRO 3 Ca -0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1a1w h PRO 3 Cb 1.18 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1a1w h PRO 3 CO -0.10 0.25 0.11 0.35 -0.21 0.00 0.00 178.00 178.41 1a1w h PHE 4 N 0.39 0.86 -0.58 0.65 3.04 -1.93 -2.05 116.94 117.32 1a1w h PHE 4 Ca 0.63 -0.11 0.08 0.00 3.98 0.00 0.00 57.97 62.56 1a1w h PHE 4 Cb 1.30 -0.24 -0.07 0.00 2.56 0.00 0.00 35.95 39.51 1a1w h PHE 4 CO -0.09 0.77 0.23 1.25 -2.02 0.00 0.00 178.31 178.45 1a1w h LEU 5 N 0.70 0.26 -1.37 0.59 6.46 -1.16 0.13 115.31 120.92 1a1w h LEU 5 Ca 0.16 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1a1w h LEU 5 Cb 0.35 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1a1w h LEU 5 CO 0.00 0.16 -0.05 0.58 -0.62 0.00 0.00 178.44 178.52 1a1w h VAL 6 N 0.43 1.17 0.00 1.05 2.07 -1.24 -1.34 116.25 118.39 1a1w h VAL 6 Ca 0.29 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1a1w h VAL 6 Cb 0.32 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1a1w h VAL 6 CO -0.27 0.24 -0.25 0.25 0.02 0.00 0.00 177.57 177.55 1a1w h LEU 7 N 0.35 0.00 0.02 2.57 5.85 -0.06 -2.41 115.31 121.64 1a1w h LEU 7 Ca 0.08 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.57 1a1w h LEU 7 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1a1w h LEU 7 CO 0.01 0.25 -1.05 -0.07 -0.34 0.00 0.00 178.44 177.25 1a1w h LEU 8 N 0.00 0.08 -0.84 2.25 3.38 -0.12 -2.46 115.31 117.60 1a1w h LEU 8 Ca -0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1a1w h LEU 8 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a1w h LEU 8 CO 0.03 1.07 -0.53 -0.74 0.09 0.00 0.00 178.44 178.36 1a1w h HIS 9 N 0.01 0.16 0.01 1.13 2.76 -0.98 -1.54 115.15 116.71 1a1w h HIS 9 Ca -0.03 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1a1w h HIS 9 Cb 1.81 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.74 1a1w h HIS 9 CO 0.01 0.64 -0.00 0.77 -1.30 0.00 0.00 177.93 178.05 1a1w h SER 10 N 0.10 -0.01 -0.06 3.26 0.02 -1.47 -3.29 113.55 112.10 1a1w h SER 10 Ca -0.00 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1a1w h SER 10 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 1a1w h SER 10 CO 0.08 0.68 0.09 -0.37 -1.14 0.00 0.00 176.83 176.17 1a1w h VAL 11 N -1.00 0.37 -0.88 2.27 -1.51 -1.52 -1.55 116.25 112.43 1a1w h VAL 11 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1a1w h VAL 11 Cb 0.40 0.92 -0.05 0.00 -2.13 0.00 0.00 31.29 30.43 1a1w h VAL 11 CO 0.00 0.00 0.57 -1.28 -1.23 0.00 0.00 177.57 175.63 1a1w h SER 12 N 0.00 0.96 0.64 4.19 0.87 -1.34 -0.67 113.55 118.19 1a1w h SER 12 Ca 0.03 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1a1w h SER 12 Cb 0.22 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1a1w h SER 12 CO -0.00 0.66 -0.25 0.28 -0.53 0.00 0.00 176.83 176.99 1a1w h SER 13 N 1.12 0.00 -0.33 6.23 0.02 -1.40 -2.40 113.55 116.80 1a1w h SER 13 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1a1w h SER 13 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1a1w h SER 13 CO -0.11 0.25 0.00 -0.24 -1.14 0.00 0.00 176.83 175.59 1a1w n SER 14 N -3.61 2.49 -0.10 3.07 2.88 -0.29 -4.03 113.62 114.03 1a1w n SER 14 Ca -0.01 -2.18 -0.18 0.00 -1.33 0.00 0.00 58.87 55.18 1a1w n SER 14 Cb 0.39 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1a1w n SER 14 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1a1w n LEU 15 N 0.47 2.34 -0.97 2.46 4.77 -0.90 -4.99 117.00 120.16 1a1w n LEU 15 Ca 0.13 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1a1w n LEU 15 Cb 0.47 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1a1w n LEU 15 CO 0.11 0.66 -0.26 -1.20 -1.33 0.00 0.00 177.39 175.38 1a1w n SER 16 N -3.46 -5.82 0.18 -1.43 7.64 -1.24 -2.16 113.62 107.33 1a1w n SER 16 Ca -0.38 0.57 0.13 0.00 1.01 0.00 0.00 58.87 60.20 1a1w n SER 16 Cb 0.84 -3.06 0.62 0.00 -1.01 0.00 0.00 64.21 61.60 1a1w n SER 16 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1a1w h SER 17 N -0.92 0.00 0.43 6.43 0.87 -1.95 -2.44 113.55 115.97 1a1w h SER 17 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1a1w h SER 17 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1a1w h SER 17 CO 0.02 0.00 -0.21 0.28 -0.53 0.00 0.00 176.83 176.39 1a1w h SER 18 N 0.00 -0.49 -0.15 6.23 0.02 -2.00 -1.51 113.55 115.65 1a1w h SER 18 Ca 0.00 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1a1w h SER 18 Cb 0.18 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1a1w h SER 18 CO 0.00 -0.07 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.20 1a1w h GLU 19 N -1.14 0.48 -0.12 3.45 4.39 -1.37 -2.02 114.58 118.25 1a1w h GLU 19 Ca -0.06 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 1a1w h GLU 19 Cb 0.45 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1a1w h GLU 19 CO 0.10 0.57 -0.25 1.25 -1.16 0.00 0.00 179.01 179.52 1a1w h LEU 20 N 0.45 0.21 -0.55 1.33 5.85 -1.50 -2.27 115.31 118.84 1a1w h LEU 20 Ca 0.09 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 1a1w h LEU 20 Cb 0.42 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1a1w h LEU 20 CO 0.02 0.47 -0.67 0.74 -0.34 0.00 0.00 178.44 178.67 1a1w h THR 21 N 0.20 1.40 0.25 1.05 2.02 -0.55 -1.96 112.91 115.33 1a1w h THR 21 Ca 0.03 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 1a1w h THR 21 Cb 0.55 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1a1w h THR 21 CO 0.04 0.62 -0.12 -0.33 0.37 0.00 0.00 175.52 176.10 1a1w h GLU 22 N 0.19 -0.33 -0.38 6.66 4.39 -1.01 -2.37 114.58 121.72 1a1w h GLU 22 Ca -0.02 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1a1w h GLU 22 Cb 1.20 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1a1w h GLU 22 CO 0.11 -0.22 0.37 -0.07 -1.16 0.00 0.00 179.01 178.04 1a1w h LEU 23 N -0.62 0.00 -0.21 1.33 4.07 -1.54 -0.35 115.31 117.99 1a1w h LEU 23 Ca -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1a1w h LEU 23 Cb 0.26 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1a1w h LEU 23 CO 0.06 0.00 -0.16 0.50 -1.08 0.00 0.00 178.44 177.76 1a1w h LYS 24 N 0.00 0.47 0.15 1.13 3.64 -1.31 -1.41 116.57 119.24 1a1w h LYS 24 Ca 0.18 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1a1w h LYS 24 Cb 0.93 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1a1w h LYS 24 CO -0.00 0.79 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.95 1a1w h TYR 25 N 0.16 -0.27 0.00 1.91 3.20 -0.51 -1.41 116.97 120.04 1a1w h TYR 25 Ca 0.04 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1a1w h TYR 25 Cb 0.69 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1a1w h TYR 25 CO 0.07 -0.17 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.30 1a1w h LEU 26 N -0.26 0.00 -0.98 2.82 3.38 -1.50 -1.31 115.31 117.46 1a1w h LEU 26 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1a1w h LEU 26 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1a1w h LEU 26 CO 0.00 0.06 -0.38 0.00 0.09 0.00 0.00 178.44 178.21 1a1w n LEU 28 N -4.05 1.57 0.00 0.00 4.77 -0.50 -0.81 117.00 117.98 1a1w n LEU 28 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1a1w n LEU 28 Cb 0.46 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1a1w n LEU 28 CO 0.41 -1.62 0.00 0.61 -1.33 0.00 0.00 177.39 175.47 1a1w n GLY 29 N 6.23 3.11 0.21 -0.72 0.00 -1.26 -4.89 105.19 107.85 1a1w n GLY 29 Ca 0.47 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 1a1w n GLY 29 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a1w h ARG 30 N 0.00 -0.42 0.09 1.61 3.08 -1.07 -3.38 114.38 114.29 1a1w h ARG 30 Ca 0.00 0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 1a1w h ARG 30 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1a1w h ARG 30 CO 0.00 -0.28 -1.89 0.28 -1.07 0.00 0.00 179.97 177.01 1a1w h VAL 31 N -1.09 0.72 0.00 2.04 2.07 -1.61 -3.51 116.25 114.87 1a1w h VAL 31 Ca -0.05 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1a1w h VAL 31 Cb 0.34 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1a1w h VAL 31 CO 0.07 0.79 0.00 0.61 0.02 0.00 0.00 177.57 179.06 1a1w n GLY 32 N 1.86 3.05 0.12 2.17 0.00 -1.12 -4.88 105.19 106.38 1a1w n GLY 32 Ca -0.27 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1a1w n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a1w n LYS 33 N -1.99 0.68 0.19 1.61 4.81 -1.26 -4.15 118.16 118.04 1a1w n LYS 33 Ca 0.00 0.15 0.04 0.00 -0.87 0.00 0.00 58.31 57.63 1a1w n LYS 33 Cb 0.00 -1.59 0.44 0.00 0.02 0.00 0.00 35.03 33.90 1a1w n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a1w h ARG 34 N 0.02 0.06 -0.51 1.64 3.08 -1.99 -2.25 114.38 114.42 1a1w h ARG 34 Ca -0.51 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 1a1w h ARG 34 Cb 2.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.04 1a1w h ARG 34 CO -0.01 0.27 0.15 0.87 -1.07 0.00 0.00 179.97 180.18 1a1w h LYS 35 N 0.06 0.81 -0.10 0.04 6.56 -1.90 -2.58 116.57 119.46 1a1w h LYS 35 Ca 0.01 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 59.30 1a1w h LYS 35 Cb 0.40 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1a1w h LYS 35 CO 0.03 0.76 -0.44 -0.07 -2.06 0.00 0.00 179.45 177.67 1a1w h LEU 36 N 0.71 0.26 -1.72 2.94 3.38 -1.62 -2.09 115.31 117.17 1a1w h LEU 36 Ca 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1a1w h LEU 36 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1a1w h LEU 36 CO -0.00 0.67 0.07 -0.08 0.09 0.00 0.00 178.44 179.18 1a1w h GLU 37 N 0.20 0.24 0.00 1.13 4.81 -1.03 -2.07 114.58 117.87 1a1w h GLU 37 Ca 0.02 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 1a1w h GLU 37 Cb 0.86 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1a1w h GLU 37 CO 0.07 0.21 -1.37 -0.09 -0.73 0.00 0.00 179.01 177.10 1a1w h ARG 38 N 0.25 0.00 -7.04 1.92 1.12 -1.22 -3.46 114.38 105.94 1a1w h ARG 38 Ca 0.06 0.00 -0.50 0.00 -1.11 0.00 0.00 59.98 58.44 1a1w h ARG 38 Cb 0.06 0.00 0.21 0.00 -0.01 0.00 0.00 29.97 30.23 1a1w h ARG 38 CO -0.01 0.68 -0.20 1.55 -3.11 0.00 0.00 179.97 178.89 1a1w n VAL 39 N -3.16 0.00 0.00 0.20 3.14 -0.78 -4.93 118.33 112.80 1a1w n VAL 39 Ca -0.09 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1a1w n VAL 39 Cb 0.99 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 1a1w n VAL 39 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1a1w n GLN 40 N -3.50 0.00 0.02 1.45 7.27 -1.26 -5.00 117.38 116.36 1a1w n GLN 40 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.12 1a1w n GLN 40 Cb 0.54 -0.05 -0.01 0.00 2.41 0.00 0.00 30.24 33.13 1a1w n GLN 40 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1a1w n SER 41 N -2.00 1.23 0.00 1.69 2.88 -1.26 -5.08 113.62 111.08 1a1w n SER 41 Ca 0.00 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1a1w n SER 41 Cb 0.00 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1a1w n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a1w n GLY 42 N 3.06 0.14 0.34 0.46 0.00 -1.26 -4.85 105.19 103.07 1a1w n GLY 42 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.17 1a1w n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a1w h LEU 43 N 0.00 0.00 0.15 0.99 5.85 -1.94 -1.99 115.31 118.37 1a1w h LEU 43 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1a1w h LEU 43 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1a1w h LEU 43 CO 0.00 0.00 -0.07 0.44 -0.34 0.00 0.00 178.44 178.47 1a1w h ASP 44 N 0.00 -0.17 -0.11 1.25 3.32 -1.95 -0.43 116.42 118.32 1a1w h ASP 44 Ca 0.04 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1a1w h ASP 44 Cb 0.39 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1a1w h ASP 44 CO -0.00 0.12 -0.06 0.25 -1.72 0.00 0.00 179.24 177.84 1a1w h LEU 45 N -0.48 0.36 -0.96 1.55 5.85 -1.71 -1.53 115.31 118.38 1a1w h LEU 45 Ca -0.02 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1a1w h LEU 45 Cb 0.38 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1a1w h LEU 45 CO 0.03 0.46 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.21 1a1w h PHE 46 N 0.37 0.00 0.17 1.25 0.04 -1.28 -2.58 116.94 114.90 1a1w h PHE 46 Ca 0.08 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.55 1a1w h PHE 46 Cb 0.34 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.50 1a1w h PHE 46 CO 0.01 0.13 -1.31 1.03 -0.60 0.00 0.00 178.31 177.56 1a1w h SER 47 N 0.00 0.56 0.01 2.17 0.87 -0.05 -2.52 113.55 114.59 1a1w h SER 47 Ca -0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1a1w h SER 47 Cb 0.75 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1a1w h SER 47 CO 0.02 1.47 -0.01 0.24 -0.53 0.00 0.00 176.83 178.02 1a1w h MET 48 N 0.10 -0.02 -0.63 2.24 2.86 -1.38 -1.32 114.93 116.78 1a1w h MET 48 Ca -0.17 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1a1w h MET 48 Cb 2.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.66 1a1w h MET 48 CO 0.23 0.53 0.40 -0.07 1.06 0.00 0.00 176.91 179.06 1a1w h LEU 49 N -0.58 0.66 -1.52 1.22 3.38 -1.59 -0.99 115.31 115.90 1a1w h LEU 49 Ca -0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1a1w h LEU 49 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1a1w h LEU 49 CO 0.00 0.47 -0.25 0.25 0.09 0.00 0.00 178.44 179.00 1a1w h LEU 50 N 0.79 0.00 -0.21 1.67 5.85 -1.46 -2.69 115.31 119.26 1a1w h LEU 50 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1a1w h LEU 50 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1a1w h LEU 50 CO -0.08 0.25 0.07 -0.08 -0.34 0.00 0.00 178.44 178.25 1a1w h GLU 51 N 0.00 0.32 -0.42 1.25 4.81 0.03 -3.44 114.58 117.12 1a1w h GLU 51 Ca -0.00 -0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1a1w h GLU 51 Cb 0.49 -0.05 -0.19 0.00 0.63 0.00 0.00 28.75 29.63 1a1w h GLU 51 CO 0.03 0.41 -0.12 1.14 -0.73 0.00 0.00 179.01 179.74 1a1w s GLN 52 N -5.42 0.26 0.00 1.92 -2.07 -1.02 -5.06 119.66 108.27 1a1w s GLN 52 Ca -0.14 0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.56 1a1w s GLN 52 Cb 0.07 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1a1w s GLN 52 CO 0.71 -0.46 0.00 -1.71 -1.32 0.00 0.00 175.29 172.52 1a1w n ASN 53 N 4.88 0.00 -2.28 12.60 4.05 -1.04 -4.82 115.26 128.66 1a1w n ASN 53 Ca 0.08 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.09 1a1w n ASN 53 Cb 0.58 0.06 0.08 0.00 1.23 0.00 0.00 39.78 41.73 1a1w n ASN 53 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1a1w n ASP 54 N -1.38 -0.99 -3.94 1.20 -0.08 -1.22 -5.09 116.55 105.06 1a1w n ASP 54 Ca 0.00 -1.80 -0.16 0.00 -1.51 0.00 0.00 54.79 51.32 1a1w n ASP 54 Cb 0.00 0.49 -0.15 0.00 2.34 0.00 0.00 41.12 43.80 1a1w n ASP 54 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1a1w s LEU 55 N -2.61 1.85 0.17 -2.67 1.43 -1.22 -4.20 118.68 111.43 1a1w s LEU 55 Ca 0.06 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1a1w s LEU 55 Cb 0.28 -0.28 0.06 0.00 0.03 0.00 0.00 46.19 46.28 1a1w s LEU 55 CO -0.08 0.03 0.94 -1.61 0.23 0.00 0.00 176.35 175.86 1a1w s GLU 56 N 0.10 1.26 0.56 1.70 2.02 0.14 -4.56 118.70 119.92 1a1w s GLU 56 Ca -0.01 -0.70 0.35 0.00 0.02 0.00 0.00 54.97 54.63 1a1w s GLU 56 Cb -0.05 0.43 1.50 0.00 0.10 0.00 0.00 34.13 36.12 1a1w s GLU 56 CO -0.00 -0.58 1.78 -1.35 0.02 0.00 0.00 175.26 175.13 1a1w h PRO 57 N 2.00 0.00 -0.71 0.39 0.11 -1.97 -2.40 132.00 129.42 1a1w h PRO 57 Ca -0.24 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.56 1a1w h PRO 57 Cb 1.23 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 1a1w h PRO 57 CO 0.25 0.00 -1.01 0.41 -0.21 0.00 0.00 178.00 177.45 1a1w n GLY 58 N -1.73 1.54 3.02 -0.55 0.00 -1.26 -4.39 105.19 101.81 1a1w n GLY 58 Ca 0.23 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1a1w n GLY 58 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a1w s HIS 59 N -2.52 -1.08 -0.29 1.61 5.04 -0.90 -5.01 115.29 112.14 1a1w s HIS 59 Ca 0.25 0.24 0.20 0.00 -1.54 0.00 0.00 55.06 54.22 1a1w s HIS 59 Cb 0.43 0.20 0.48 0.00 0.04 0.00 0.00 32.58 33.73 1a1w s HIS 59 CO -0.00 -0.72 1.04 0.25 -2.34 0.00 0.00 174.74 172.97 1a1w n THR 60 N 4.26 1.16 0.23 0.89 -2.24 -1.26 -0.68 114.28 116.64 1a1w n THR 60 Ca 0.08 -3.02 0.10 0.00 -2.27 0.00 0.00 64.05 58.94 1a1w n THR 60 Cb 0.59 0.95 0.52 0.00 -2.10 0.00 0.00 70.33 70.30 1a1w n THR 60 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a1w h GLU 61 N 2.79 0.00 0.33 -0.78 4.81 -1.97 -2.29 114.58 117.47 1a1w h GLU 61 Ca -0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1a1w h GLU 61 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1a1w h GLU 61 CO 0.34 0.23 -0.16 1.25 -0.73 0.00 0.00 179.01 179.94 1a1w h LEU 62 N 0.00 -0.37 0.63 1.64 5.85 -1.90 -1.21 115.31 119.94 1a1w h LEU 62 Ca -0.00 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1a1w h LEU 62 Cb 0.63 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1a1w h LEU 62 CO 0.03 0.09 -0.33 0.25 -0.34 0.00 0.00 178.44 178.14 1a1w h LEU 63 N -1.05 -0.79 -1.80 2.25 5.85 -1.81 -2.15 115.31 115.81 1a1w h LEU 63 Ca -0.05 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1a1w h LEU 63 Cb 0.44 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1a1w h LEU 63 CO 0.07 -0.54 0.36 -0.09 -0.34 0.00 0.00 178.44 177.91 1a1w h ARG 64 N -0.88 0.22 -0.54 1.25 2.43 -1.55 -0.66 114.38 114.64 1a1w h ARG 64 Ca -0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1a1w h ARG 64 Cb 0.69 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1a1w h ARG 64 CO 0.12 0.14 0.33 1.49 -1.51 0.00 0.00 179.97 180.55 1a1w h GLU 65 N 0.22 0.73 -0.81 0.20 4.81 -0.57 -1.49 114.58 117.68 1a1w h GLU 65 Ca 0.25 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1a1w h GLU 65 Cb 0.68 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1a1w h GLU 65 CO -0.05 0.52 0.53 -0.07 -0.73 0.00 0.00 179.01 179.22 1a1w h LEU 66 N 0.73 0.92 -1.80 1.64 3.38 -0.72 -0.41 115.31 119.05 1a1w h LEU 66 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1a1w h LEU 66 Cb -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1a1w h LEU 66 CO -0.04 0.67 -0.09 -0.07 0.09 0.00 0.00 178.44 179.00 1a1w h LEU 67 N 1.09 0.02 -0.82 1.67 3.38 -1.08 -1.21 115.31 118.36 1a1w h LEU 67 Ca 0.30 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1a1w h LEU 67 Cb -0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1a1w h LEU 67 CO -0.07 0.11 -0.01 0.00 0.09 0.00 0.00 178.44 178.56 1a1w h ALA 68 N 1.90 1.02 -0.14 1.53 0.00 -0.08 -2.04 119.26 121.44 1a1w h ALA 68 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1a1w h ALA 68 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a1w h ALA 68 CO 0.01 0.61 -0.33 1.03 0.00 0.00 0.00 179.25 180.57 1a1w h SER 69 N 0.81 0.29 0.92 0.00 0.87 -0.88 -2.04 113.55 113.52 1a1w h SER 69 Ca 0.15 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1a1w h SER 69 Cb 0.50 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1a1w h SER 69 CO 0.02 0.61 0.00 0.18 -0.53 0.00 0.00 176.83 177.12 1a1w n LEU 70 N -4.09 0.59 -2.14 2.23 7.99 -0.82 -4.89 117.00 115.87 1a1w n LEU 70 Ca -0.01 0.61 -0.13 0.00 -0.01 0.00 0.00 56.01 56.47 1a1w n LEU 70 Cb 0.43 -0.49 0.04 0.00 -0.11 0.00 0.00 43.42 43.28 1a1w n LEU 70 CO 0.41 -0.39 0.11 -1.14 -1.51 0.00 0.00 177.39 174.87 1a1w n ARG 71 N -2.11 -4.10 -0.44 3.23 0.63 -0.77 -5.02 116.66 108.07 1a1w n ARG 71 Ca 0.03 0.48 -0.02 0.00 -0.92 0.00 0.00 57.85 57.42 1a1w n ARG 71 Cb 0.28 -4.43 0.01 0.00 0.45 0.00 0.00 32.46 28.77 1a1w n ARG 71 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1a1w n ARG 72 N -2.93 0.24 0.00 -0.14 5.12 -1.14 -5.04 116.66 112.76 1a1w n ARG 72 Ca -0.01 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1a1w n ARG 72 Cb 0.54 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 1a1w n ARG 72 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1a1w n HIS 73 N -1.81 -1.38 0.01 -1.55 8.25 -1.26 -4.82 115.22 112.66 1a1w n HIS 73 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1a1w n HIS 73 Cb 0.04 0.34 0.01 0.00 1.12 0.00 0.00 29.99 31.50 1a1w n HIS 73 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1a1w h ASP 74 N 0.00 0.68 0.07 0.41 5.19 -1.99 -1.44 116.42 119.34 1a1w h ASP 74 Ca 0.00 -0.41 -0.20 0.00 -0.62 0.00 0.00 57.03 55.81 1a1w h ASP 74 Cb 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1a1w h ASP 74 CO 0.00 1.15 -0.73 -0.07 -3.12 0.00 0.00 179.24 176.47 1a1w h LEU 75 N 0.43 0.68 -0.65 1.55 -0.00 -1.95 -2.71 115.31 112.65 1a1w h LEU 75 Ca -0.02 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.88 57.36 1a1w h LEU 75 Cb 1.23 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1a1w h LEU 75 CO 0.12 1.20 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.41 1a1w h LEU 76 N 0.40 0.00 0.03 1.67 3.38 -1.87 -2.58 115.31 116.34 1a1w h LEU 76 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1a1w h LEU 76 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.09 1a1w h LEU 76 CO 0.14 0.29 -0.58 -0.09 0.09 0.00 0.00 178.44 178.28 1a1w h ARG 77 N 0.00 0.35 0.31 1.13 2.43 -1.17 -2.05 114.38 115.39 1a1w h ARG 77 Ca -0.00 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1a1w h ARG 77 Cb 0.97 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1a1w h ARG 77 CO 0.04 1.10 -0.15 0.00 -1.51 0.00 0.00 179.97 179.45 1a1w h ARG 78 N -0.23 -0.41 0.03 0.20 3.08 -1.52 -1.13 114.38 114.40 1a1w h ARG 78 Ca -0.08 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1a1w h ARG 78 Cb 1.33 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.44 1a1w h ARG 78 CO 0.11 -0.08 -0.20 0.28 -1.07 0.00 0.00 179.97 179.02 1a1w h VAL 79 N -0.83 0.53 -0.10 2.04 2.07 -1.60 -0.37 116.25 118.00 1a1w h VAL 79 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1a1w h VAL 79 Cb 0.52 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1a1w h VAL 79 CO 0.07 0.00 0.09 -0.78 0.02 0.00 0.00 177.57 176.97 1a1w h ASP 80 N -0.33 0.00 0.77 0.57 1.82 -1.42 -2.02 116.42 115.80 1a1w h ASP 80 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1a1w h ASP 80 Cb 0.40 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.41 1a1w h ASP 80 CO -0.17 0.00 -0.37 -0.78 -1.61 0.00 0.00 179.24 176.31 1a1w h ASP 81 N 0.00 -0.87 0.08 2.28 3.58 0.27 -2.81 116.42 118.95 1a1w h ASP 81 Ca 0.05 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1a1w h ASP 81 Cb 0.22 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1a1w h ASP 81 CO -0.00 -0.54 -0.02 -0.26 -2.88 0.00 0.00 179.24 175.54 1a1w h PHE 82 N -1.20 0.00 0.00 0.28 -1.00 -1.22 -3.52 116.94 110.29 1a1w h PHE 82 Ca -0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1a1w h PHE 82 Cb 0.79 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1a1w h PHE 82 CO 0.01 0.02 0.00 -1.91 -1.61 0.00 0.00 178.31 174.82