#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2d s VAL 2 N 0.00 0.03 -0.26 2.03 0.11 -1.26 -5.14 120.40 115.91 1d2d s VAL 2 Ca 0.00 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 1d2d s VAL 2 Cb 0.00 -0.31 0.13 0.00 -1.53 0.00 0.00 36.38 34.67 1d2d s VAL 2 CO 0.00 -0.15 0.54 -0.72 -3.33 0.00 0.00 175.10 171.44 1d2d s TYR 3 N -0.49 -1.18 0.00 1.54 1.13 -1.26 -4.90 117.35 112.19 1d2d s TYR 3 Ca -0.06 1.81 0.00 0.00 -1.41 0.00 0.00 57.07 57.42 1d2d s TYR 3 Cb -0.04 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1d2d s TYR 3 CO 0.01 -0.66 0.00 -0.25 -2.51 0.00 0.00 175.55 172.14 1d2d n ASP 4 N 5.42 0.00 -0.33 -0.18 8.00 -1.26 -2.85 116.55 125.36 1d2d n ASP 4 Ca -0.08 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.63 1d2d n ASP 4 Cb 0.50 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 42.00 1d2d n ASP 4 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1d2d h LYS 5 N 0.00 0.08 -0.26 -1.24 1.57 -1.99 0.59 116.57 115.31 1d2d h LYS 5 Ca 0.00 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1d2d h LYS 5 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1d2d h LYS 5 CO 0.00 0.05 0.09 0.97 -0.57 0.00 0.00 179.45 179.99 1d2d h ILE 6 N 0.08 0.94 -0.11 1.86 6.09 -1.85 -2.59 117.51 121.94 1d2d h ILE 6 Ca 0.68 -0.07 -0.07 0.00 -1.37 0.00 0.00 64.86 64.02 1d2d h ILE 6 Cb 1.57 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.57 1d2d h ILE 6 CO -0.79 0.04 -0.23 0.00 -3.07 0.00 0.00 178.15 174.11 1d2d h ALA 7 N 1.16 0.17 -1.13 0.18 0.00 -0.24 -2.35 119.26 117.05 1d2d h ALA 7 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d2d h ALA 7 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1d2d h ALA 7 CO -0.11 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1d2d n ALA 8 N -2.46 0.00 0.47 0.00 0.00 0.17 -1.15 120.51 117.54 1d2d n ALA 8 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1d2d n ALA 8 Cb 0.43 0.31 0.19 0.00 0.00 0.00 0.00 19.45 20.38 1d2d n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1d2d h GLN 9 N 0.00 0.00 -0.14 0.00 -0.00 -1.65 -3.24 115.11 110.08 1d2d h GLN 9 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1d2d h GLN 9 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 1d2d h GLN 9 CO 0.00 0.00 -0.21 0.78 -0.00 0.00 0.00 178.83 179.40 1d2d h GLY 10 N 4.38 -0.17 2.00 0.06 0.00 -0.75 -0.90 103.07 107.69 1d2d h GLY 10 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 1d2d h GLY 10 CO 0.00 -0.18 -0.31 1.05 0.00 0.00 0.00 176.54 177.09 1d2d h GLU 11 N -0.26 0.00 0.05 4.80 4.11 -1.22 -2.78 114.58 119.29 1d2d h GLU 11 Ca 0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.56 1d2d h GLU 11 Cb 0.41 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1d2d h GLU 11 CO -0.29 0.31 -0.44 0.28 0.07 0.00 0.00 179.01 178.95 1d2d h VAL 12 N 0.00 0.13 -0.77 -1.06 2.07 -1.19 -0.16 116.25 115.26 1d2d h VAL 12 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1d2d h VAL 12 Cb 0.66 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1d2d h VAL 12 CO 0.04 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.53 1d2d h VAL 13 N -0.63 1.25 -0.59 2.57 2.07 -1.41 0.10 116.25 119.61 1d2d h VAL 13 Ca 0.03 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 66.88 1d2d h VAL 13 Cb 0.68 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 1d2d h VAL 13 CO -0.29 0.32 -0.20 0.03 0.02 0.00 0.00 177.57 177.45 1d2d h ARG 14 N 1.12 -0.05 -0.39 1.57 2.47 -1.02 0.23 114.38 118.31 1d2d h ARG 14 Ca 0.26 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.82 1d2d h ARG 14 Cb 0.20 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1d2d h ARG 14 CO -0.02 -0.04 -0.38 -0.22 0.56 0.00 0.00 179.97 179.87 1d2d h LYS 15 N -0.06 0.94 0.45 0.04 3.64 -0.61 -2.27 116.57 118.70 1d2d h LYS 15 Ca 0.27 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1d2d h LYS 15 Cb 0.48 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1d2d h LYS 15 CO -0.63 1.15 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.21 1d2d h LEU 16 N 0.77 -1.16 -2.09 5.20 4.07 0.10 0.14 115.31 122.35 1d2d h LEU 16 Ca 0.06 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.13 1d2d h LEU 16 Cb 0.98 0.38 -0.00 0.00 1.08 0.00 0.00 40.66 43.10 1d2d h LEU 16 CO 0.10 -0.57 0.05 0.07 -1.08 0.00 0.00 178.44 177.00 1d2d h LYS 17 N -0.86 0.00 -0.02 1.13 2.10 -0.73 0.35 116.57 118.54 1d2d h LYS 17 Ca -0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1d2d h LYS 17 Cb 0.74 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1d2d h LYS 17 CO -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.41 1d2d h ALA 18 N 1.96 0.02 -0.35 0.07 0.00 -0.70 -2.61 119.26 117.65 1d2d h ALA 18 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1d2d h ALA 18 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1d2d h ALA 18 CO -0.00 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.28 1d2d n GLU 19 N -4.96 2.14 -1.57 0.00 1.02 0.39 -4.97 120.64 112.70 1d2d n GLU 19 Ca -0.07 -1.38 -0.01 0.00 -0.02 0.00 0.00 57.16 55.67 1d2d n GLU 19 Cb 0.14 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1d2d n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1d2d n LYS 20 N 0.50 -1.15 -3.97 3.49 5.02 0.11 -5.03 118.16 117.14 1d2d n LYS 20 Ca 0.13 1.23 -0.19 0.00 -2.02 0.00 0.00 58.31 57.46 1d2d n LYS 20 Cb 0.42 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1d2d n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1d2d n ALA 21 N 0.41 0.56 -1.79 7.82 0.00 -0.85 -4.83 120.51 121.83 1d2d n ALA 21 Ca -0.06 -1.71 -0.36 0.00 0.00 0.00 0.00 53.44 51.31 1d2d n ALA 21 Cb 0.09 1.27 -0.05 0.00 0.00 0.00 0.00 19.45 20.76 1d2d n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d2d s PRO 22 N -3.23 4.30 0.21 0.00 0.04 -1.26 -4.83 135.00 130.22 1d2d s PRO 22 Ca 0.26 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 1d2d s PRO 22 Cb 0.01 -2.52 0.16 0.00 0.04 0.00 0.00 34.50 32.19 1d2d s PRO 22 CO 0.19 0.01 1.88 0.87 0.04 0.00 0.00 177.00 179.98 1d2d h LYS 23 N 2.54 1.00 -0.99 4.56 1.79 -2.01 -2.18 116.57 121.28 1d2d h LYS 23 Ca -0.48 -0.06 0.24 0.00 -2.18 0.00 0.00 60.65 58.17 1d2d h LYS 23 Cb 1.20 -0.22 -0.13 0.00 -1.58 0.00 0.00 32.23 31.50 1d2d h LYS 23 CO 0.63 0.67 0.57 0.00 -1.08 0.00 0.00 179.45 180.23 1d2d h ALA 24 N 1.27 1.74 0.07 3.86 0.00 -1.99 0.23 119.26 124.45 1d2d h ALA 24 Ca 0.28 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1d2d h ALA 24 Cb -0.11 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1d2d h ALA 24 CO -0.06 -0.29 -0.41 0.87 0.00 0.00 0.00 179.25 179.36 1d2d h LYS 25 N 0.55 0.16 -0.53 0.00 6.56 -1.83 -2.09 116.57 119.39 1d2d h LYS 25 Ca 0.64 -0.26 0.09 0.00 -1.06 0.00 0.00 60.65 60.05 1d2d h LYS 25 Cb 1.21 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 32.90 1d2d h LYS 25 CO -0.49 1.11 0.13 0.28 -2.06 0.00 0.00 179.45 178.42 1d2d h VAL 26 N -0.64 0.73 -0.38 0.50 2.07 -0.71 -1.00 116.25 116.82 1d2d h VAL 26 Ca -0.07 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1d2d h VAL 26 Cb 1.30 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1d2d h VAL 26 CO 0.08 0.05 0.06 0.71 0.02 0.00 0.00 177.57 178.49 1d2d h THR 27 N 0.28 1.24 -0.65 2.57 1.35 -0.67 -2.43 112.91 114.59 1d2d h THR 27 Ca 0.27 -0.86 0.13 0.00 -0.55 0.00 0.00 66.41 65.39 1d2d h THR 27 Cb 0.35 1.07 -0.12 0.00 -1.73 0.00 0.00 68.15 67.72 1d2d h THR 27 CO -0.32 0.29 -0.13 -0.33 -0.25 0.00 0.00 175.52 174.78 1d2d h GLU 28 N 0.47 0.02 -0.20 4.72 5.08 -0.53 0.52 114.58 124.66 1d2d h GLU 28 Ca 0.11 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1d2d h GLU 28 Cb 0.37 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1d2d h GLU 28 CO 0.01 0.01 0.11 0.00 -1.00 0.00 0.00 179.01 178.14 1d2d h ALA 29 N 1.64 0.25 -0.87 3.43 0.00 -0.98 -0.77 119.26 121.96 1d2d h ALA 29 Ca 0.32 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.44 1d2d h ALA 29 Cb 0.50 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1d2d h ALA 29 CO -0.65 -0.30 0.34 0.28 0.00 0.00 0.00 179.25 178.92 1d2d h VAL 30 N 0.23 0.47 0.26 0.00 2.07 -0.47 0.17 116.25 118.99 1d2d h VAL 30 Ca 0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1d2d h VAL 30 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1d2d h VAL 30 CO -0.05 0.07 -0.13 -0.33 0.02 0.00 0.00 177.57 177.16 1d2d h GLU 31 N 0.36 -0.34 -0.15 1.57 5.08 -0.38 -0.17 114.58 120.56 1d2d h GLU 31 Ca 0.53 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1d2d h GLU 31 Cb 0.99 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1d2d h GLU 31 CO -0.54 -0.04 0.23 0.00 -1.00 0.00 0.00 179.01 177.67 1d2d h LEU 33 N 0.00 -0.09 -0.19 0.00 3.38 -0.24 -2.01 115.31 116.16 1d2d h LEU 33 Ca 0.07 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1d2d h LEU 33 Cb 0.53 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1d2d h LEU 33 CO -0.00 0.54 0.03 0.25 0.09 0.00 0.00 178.44 179.34 1d2d h LEU 34 N -0.98 0.30 0.38 1.67 6.46 -0.21 0.18 115.31 123.12 1d2d h LEU 34 Ca -0.01 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1d2d h LEU 34 Cb 0.41 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1d2d h LEU 34 CO 0.02 0.49 -0.18 0.28 -0.62 0.00 0.00 178.44 178.42 1d2d h SER 35 N 0.09 -0.44 -0.21 1.25 0.02 0.04 -2.90 113.55 111.41 1d2d h SER 35 Ca 0.06 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1d2d h SER 35 Cb 0.32 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1d2d h SER 35 CO 0.00 -0.17 -0.42 0.25 -1.14 0.00 0.00 176.83 175.36 1d2d h LEU 36 N -0.71 0.82 -0.90 5.07 6.46 -1.40 -2.73 115.31 121.93 1d2d h LEU 36 Ca -0.05 -0.38 0.15 0.00 -0.12 0.00 0.00 57.88 57.47 1d2d h LEU 36 Cb 0.50 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.10 1d2d h LEU 36 CO 0.09 1.13 0.50 0.07 -0.62 0.00 0.00 178.44 179.61 1d2d h LYS 37 N 0.62 0.70 -0.90 1.25 2.10 -0.64 1.16 116.57 120.86 1d2d h LYS 37 Ca 0.04 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1d2d h LYS 37 Cb 0.98 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.11 1d2d h LYS 37 CO 0.09 0.46 0.58 0.00 -2.00 0.00 0.00 179.45 178.58 1d2d h ALA 38 N 1.56 1.15 -0.26 0.07 0.00 -1.29 -1.82 119.26 118.68 1d2d h ALA 38 Ca 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1d2d h ALA 38 Cb 0.65 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1d2d h ALA 38 CO -0.34 0.57 0.11 1.49 0.00 0.00 0.00 179.25 181.08 1d2d h GLU 39 N 1.23 0.38 0.00 0.00 4.57 0.27 -3.36 114.58 117.66 1d2d h GLU 39 Ca 0.33 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1d2d h GLU 39 Cb -0.11 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1d2d h GLU 39 CO -0.07 0.40 0.00 0.98 -1.18 0.00 0.00 179.01 179.15 1d2d n TYR 40 N -4.79 0.00 -3.15 0.92 9.36 0.35 -4.71 117.16 115.14 1d2d n TYR 40 Ca -0.03 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.03 1d2d n TYR 40 Cb 0.12 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.79 1d2d n TYR 40 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1d2d n LYS 41 N -0.12 -0.93 0.00 2.98 2.85 -0.94 -4.81 118.16 117.19 1d2d n LYS 41 Ca 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1d2d n LYS 41 Cb 0.00 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 1d2d n LYS 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1d2d n GLU 42 N -2.42 0.00 -2.27 -1.58 1.02 -1.26 -4.81 120.64 109.32 1d2d n GLU 42 Ca -0.07 0.45 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 1d2d n GLU 42 Cb 0.27 -1.13 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 1d2d n GLU 42 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1d2d n LYS 43 N -1.85 0.51 0.00 3.49 2.85 -1.26 -5.00 118.16 116.89 1d2d n LYS 43 Ca 0.00 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 1d2d n LYS 43 Cb 0.00 0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 1d2d n LYS 43 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2d n THR 44 N -0.58 0.00 -0.03 0.58 -1.04 -1.26 -4.94 114.28 107.01 1d2d n THR 44 Ca -0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1d2d n THR 44 Cb 0.67 -0.10 -0.10 0.00 -1.82 0.00 0.00 70.33 68.98 1d2d n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d2d n GLY 45 N 1.65 -0.59 2.35 3.41 0.00 -1.26 -4.95 105.19 105.80 1d2d n GLY 45 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1d2d n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d2d n LYS 46 N -2.14 -4.53 -3.31 1.61 4.76 -1.26 -4.52 118.16 108.77 1d2d n LYS 46 Ca -0.09 3.38 -0.16 0.00 -2.87 0.00 0.00 58.31 58.57 1d2d n LYS 46 Cb 0.55 -4.53 0.06 0.00 -1.84 0.00 0.00 35.03 29.27 1d2d n LYS 46 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d2d n GLU 47 N 1.62 -1.96 -1.31 1.97 4.71 -1.08 -4.80 120.64 119.80 1d2d n GLU 47 Ca -0.18 0.87 -0.44 0.00 -0.01 0.00 0.00 57.16 57.41 1d2d n GLU 47 Cb 0.27 -5.50 -0.02 0.00 -1.01 0.00 0.00 31.44 25.19 1d2d n GLU 47 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 1d2d n TYR 48 N -3.21 -1.24 -3.58 -0.32 4.19 -1.23 -4.83 117.16 106.95 1d2d n TYR 48 Ca -0.07 0.78 -0.41 0.00 3.31 0.00 0.00 57.90 61.52 1d2d n TYR 48 Cb 0.60 -1.82 -0.09 0.00 0.49 0.00 0.00 39.34 38.52 1d2d n TYR 48 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1d2d s VAL 49 N -1.29 4.21 -0.07 2.97 0.11 -1.26 -4.79 120.40 120.27 1d2d s VAL 49 Ca 0.60 -1.63 -0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1d2d s VAL 49 Cb -0.77 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 30.38 1d2d s VAL 49 CO 0.58 -0.67 -0.07 1.55 -3.33 0.00 0.00 175.10 173.16 1d2d h PRO 50 N 8.43 0.00 0.00 1.54 0.13 -1.94 -3.50 132.00 136.66 1d2d h PRO 50 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1d2d h PRO 50 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1d2d h PRO 50 CO 0.82 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 1d2d n GLY 51 N 1.74 0.15 0.00 1.56 0.00 -1.26 -5.05 105.19 102.34 1d2d n GLY 51 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1d2d n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d2d n LEU 52 N 0.00 1.66 -2.53 0.99 4.77 -1.26 -4.82 117.00 115.81 1d2d n LEU 52 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1d2d n LEU 52 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1d2d n LEU 52 CO 0.00 0.00 -0.05 -1.84 -1.33 0.00 0.00 177.39 174.17 1d2d n GLU 53 N -0.33 -2.74 -1.87 3.23 0.28 -1.26 -3.06 120.64 114.89 1d2d n GLU 53 Ca 0.00 0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 57.18 1d2d n GLU 53 Cb 0.00 -4.72 -0.01 0.00 1.43 0.00 0.00 31.44 28.14 1d2d n GLU 53 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1d2d n HIS 54 N -2.81 -1.35 -4.33 -1.84 -0.00 -1.26 -4.63 115.22 99.00 1d2d n HIS 54 Ca -0.04 0.69 -0.27 0.00 -0.00 0.00 0.00 57.72 58.10 1d2d n HIS 54 Cb 0.53 -2.29 -0.10 0.00 -0.00 0.00 0.00 29.99 28.13 1d2d n HIS 54 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1d2d s HIS 55 N -0.38 2.53 -1.93 1.57 2.46 -1.17 -5.13 115.29 113.25 1d2d s HIS 55 Ca -0.04 -0.26 0.15 0.00 0.47 0.00 0.00 55.06 55.38 1d2d s HIS 55 Cb 0.00 -1.25 0.12 0.00 -0.13 0.00 0.00 32.58 31.33 1d2d s HIS 55 CO 0.25 0.50 0.99 0.72 -2.47 0.00 0.00 174.74 174.74