#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2d n VAL 2 N 0.00 0.00 -3.49 2.03 0.24 -1.26 -5.05 118.33 110.80 1d2d n VAL 2 Ca 0.00 -2.12 -0.11 0.00 -2.04 0.00 0.00 64.34 60.07 1d2d n VAL 2 Cb 0.00 0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 1d2d n VAL 2 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1d2d s TYR 3 N -2.97 -0.66 0.00 6.34 1.13 -1.26 -4.92 117.35 115.01 1d2d s TYR 3 Ca 0.22 0.91 0.00 0.00 -1.41 0.00 0.00 57.07 56.78 1d2d s TYR 3 Cb 0.01 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1d2d s TYR 3 CO 0.15 -0.58 0.00 -0.25 -2.51 0.00 0.00 175.55 172.36 1d2d n ASP 4 N 5.36 0.00 -0.33 -0.18 9.92 -1.26 -2.84 116.55 127.22 1d2d n ASP 4 Ca -0.05 0.00 0.21 0.00 -0.53 0.00 0.00 54.79 54.41 1d2d n ASP 4 Cb 0.50 0.00 0.40 0.00 -0.64 0.00 0.00 41.12 41.38 1d2d n ASP 4 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1d2d h LYS 5 N 0.00 0.04 -0.27 -1.24 1.57 -2.00 0.67 116.57 115.34 1d2d h LYS 5 Ca 0.00 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1d2d h LYS 5 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1d2d h LYS 5 CO 0.00 0.03 0.08 0.97 -0.57 0.00 0.00 179.45 179.96 1d2d h ILE 6 N 0.05 0.91 -0.16 1.86 6.09 -1.90 -2.43 117.51 121.92 1d2d h ILE 6 Ca 0.69 -0.07 -0.10 0.00 -1.37 0.00 0.00 64.86 64.01 1d2d h ILE 6 Cb 1.59 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1d2d h ILE 6 CO -0.82 0.03 -0.30 0.00 -3.07 0.00 0.00 178.15 174.00 1d2d h ALA 7 N 1.18 0.26 -0.21 0.18 0.00 0.05 -2.42 119.26 118.29 1d2d h ALA 7 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1d2d h ALA 7 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1d2d h ALA 7 CO -0.14 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1d2d n ALA 8 N -2.48 0.00 0.22 0.00 0.00 0.18 -0.94 120.51 117.49 1d2d n ALA 8 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1d2d n ALA 8 Cb 0.47 0.38 0.10 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.20 0.00 -0.00 -1.63 -3.20 115.11 110.08 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 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 1d2d h GLN 9 CO 0.00 0.00 -0.20 0.78 -0.00 0.00 0.00 178.83 179.41 1d2d h GLY 10 N 4.08 -0.10 2.00 0.06 0.00 -0.72 -0.48 103.07 107.91 1d2d h GLY 10 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 1d2d h GLY 10 CO 0.00 -0.18 -0.31 1.05 0.00 0.00 0.00 176.54 177.10 1d2d h GLU 11 N -0.21 0.00 -0.31 4.80 4.11 -1.12 -2.80 114.58 119.04 1d2d h GLU 11 Ca 0.12 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.62 1d2d h GLU 11 Cb 0.40 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 1d2d h GLU 11 CO -0.33 0.31 -0.22 0.28 0.07 0.00 0.00 179.01 179.12 1d2d h VAL 12 N 0.00 0.41 -0.37 -1.06 2.07 -1.08 0.75 116.25 116.96 1d2d h VAL 12 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1d2d h VAL 12 Cb 0.68 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1d2d h VAL 12 CO 0.04 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 178.01 1d2d h VAL 13 N -0.19 1.28 -0.78 2.57 2.07 -1.38 -0.81 116.25 119.02 1d2d h VAL 13 Ca 0.16 -1.34 0.17 0.00 0.82 0.00 0.00 66.70 66.51 1d2d h VAL 13 Cb 0.44 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.44 1d2d h VAL 13 CO -0.42 0.44 0.22 0.03 0.02 0.00 0.00 177.57 177.87 1d2d h ARG 14 N 0.60 0.29 -0.29 1.57 3.08 -1.03 0.45 114.38 119.04 1d2d h ARG 14 Ca 0.08 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1d2d h ARG 14 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1d2d h ARG 14 CO 0.06 0.19 -0.55 -0.22 -1.07 0.00 0.00 179.97 178.38 1d2d h LYS 15 N 0.30 0.88 0.77 0.04 3.64 -0.70 -2.07 116.57 119.42 1d2d h LYS 15 Ca 0.45 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1d2d h LYS 15 Cb 0.79 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1d2d h LYS 15 CO -0.52 1.20 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.39 1d2d h LEU 16 N 0.67 -0.96 -1.74 5.20 4.07 0.76 -0.39 115.31 122.92 1d2d h LEU 16 Ca 0.01 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.05 1d2d h LEU 16 Cb 1.17 0.26 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 1d2d h LEU 16 CO 0.12 -0.66 0.24 0.07 -1.08 0.00 0.00 178.44 177.14 1d2d h LYS 17 N -1.07 0.32 -0.07 1.13 2.10 -0.34 0.36 116.57 119.01 1d2d h LYS 17 Ca -0.10 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1d2d h LYS 17 Cb 0.84 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1d2d h LYS 17 CO 0.15 0.21 0.03 0.00 -2.00 0.00 0.00 179.45 177.85 1d2d h ALA 18 N 1.80 0.08 -0.30 0.07 0.00 -0.87 -2.06 119.26 117.99 1d2d h ALA 18 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1d2d h ALA 18 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d2d h ALA 18 CO -0.03 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.24 1d2d n GLU 19 N -4.99 1.75 -1.73 0.00 1.02 -0.20 -4.97 120.64 111.51 1d2d n GLU 19 Ca -0.06 -1.10 -0.01 0.00 -0.02 0.00 0.00 57.16 55.97 1d2d n GLU 19 Cb 0.08 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.38 -1.21 -4.45 3.49 5.02 0.12 -5.04 118.16 116.47 1d2d n LYS 20 Ca 0.10 1.28 -0.26 0.00 -2.02 0.00 0.00 58.31 57.41 1d2d n LYS 20 Cb 0.27 -2.01 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.45 0.59 -1.78 7.82 0.00 -0.81 -4.85 120.51 121.92 1d2d n ALA 21 Ca -0.10 -2.12 -0.33 0.00 0.00 0.00 0.00 53.44 50.89 1d2d n ALA 21 Cb 0.15 1.43 -0.03 0.00 0.00 0.00 0.00 19.45 21.00 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 -3.59 3.80 0.22 0.00 0.04 -1.26 -4.84 135.00 129.37 1d2d s PRO 22 Ca 0.21 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 1d2d s PRO 22 Cb 0.01 -2.11 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1d2d s PRO 22 CO 0.15 -0.41 1.79 -0.22 0.04 0.00 0.00 177.00 178.35 1d2d h LYS 23 N 1.17 1.17 -0.74 4.56 1.63 -2.01 -2.23 116.57 120.13 1d2d h LYS 23 Ca -0.48 -0.21 0.18 0.00 -0.85 0.00 0.00 60.65 59.29 1d2d h LYS 23 Cb 1.20 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 1d2d h LYS 23 CO 0.60 0.95 0.51 0.00 -3.45 0.00 0.00 179.45 178.05 1d2d h ALA 24 N 1.20 2.34 0.06 5.00 0.00 -1.99 0.59 119.26 126.45 1d2d h ALA 24 Ca 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1d2d h ALA 24 Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1d2d h ALA 24 CO -0.02 -0.55 -0.67 0.87 0.00 0.00 0.00 179.25 178.88 1d2d h LYS 25 N 0.25 0.12 -0.56 0.00 6.56 -1.81 -2.31 116.57 118.82 1d2d h LYS 25 Ca 0.37 -0.20 0.09 0.00 -1.06 0.00 0.00 60.65 59.85 1d2d h LYS 25 Cb 1.08 0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.74 1d2d h LYS 25 CO -0.08 1.10 0.15 0.28 -2.06 0.00 0.00 179.45 178.83 1d2d h VAL 26 N -0.72 0.72 -0.38 0.50 2.07 -0.89 0.49 116.25 118.03 1d2d h VAL 26 Ca -0.15 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1d2d h VAL 26 Cb 1.35 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1d2d h VAL 26 CO 0.01 0.05 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 1d2d h THR 27 N 0.30 1.25 -0.98 2.57 1.03 -1.02 -1.73 112.91 114.33 1d2d h THR 27 Ca 0.28 -1.13 0.19 0.00 -0.01 0.00 0.00 66.41 65.74 1d2d h THR 27 Cb 0.38 1.09 -0.09 0.00 -1.07 0.00 0.00 68.15 68.45 1d2d h THR 27 CO -0.33 0.38 0.61 -0.33 -0.01 0.00 0.00 175.52 175.84 1d2d h GLU 28 N 0.62 0.68 -0.09 0.00 5.08 -0.34 0.13 114.58 120.66 1d2d h GLU 28 Ca 0.11 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1d2d h GLU 28 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1d2d h GLU 28 CO 0.04 0.45 -0.20 0.00 -1.00 0.00 0.00 179.01 178.29 1d2d h ALA 29 N 1.62 0.15 -0.68 3.43 0.00 -0.64 -2.82 119.26 120.33 1d2d h ALA 29 Ca 0.54 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1d2d h ALA 29 Cb 0.93 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1d2d h ALA 29 CO -0.31 0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.30 1d2d h VAL 30 N -0.15 0.42 0.00 0.00 2.07 0.00 0.34 116.25 118.93 1d2d h VAL 30 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1d2d h VAL 30 Cb 0.80 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1d2d h VAL 30 CO 0.04 0.02 -0.00 1.05 0.02 0.00 0.00 177.57 178.70 1d2d h GLU 31 N 0.10 -0.00 -0.73 1.57 4.11 -0.96 -2.29 114.58 116.38 1d2d h GLU 31 Ca 0.36 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.80 1d2d h GLU 31 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1d2d h GLU 31 CO -0.60 0.29 0.48 0.00 0.07 0.00 0.00 179.01 179.25 1d2d h LEU 33 N 0.98 0.39 -0.01 0.00 3.38 -0.84 0.29 115.31 119.51 1d2d h LEU 33 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1d2d h LEU 33 Cb -0.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1d2d h LEU 33 CO -0.06 0.28 -0.14 0.25 0.09 0.00 0.00 178.44 178.86 1d2d h LEU 34 N 0.48 0.13 0.52 1.67 6.46 -0.70 -1.98 115.31 121.90 1d2d h LEU 34 Ca 0.16 -0.75 -0.03 0.00 -0.12 0.00 0.00 57.88 57.15 1d2d h LEU 34 Cb 0.01 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1d2d h LEU 34 CO -0.08 0.86 -0.25 -1.28 -0.62 0.00 0.00 178.44 177.08 1d2d h SER 35 N -0.59 -0.59 -0.04 1.25 0.87 0.15 -2.90 113.55 111.71 1d2d h SER 35 Ca -0.02 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1d2d h SER 35 Cb 0.88 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1d2d h SER 35 CO 0.03 -0.42 -0.44 0.25 -0.53 0.00 0.00 176.83 175.72 1d2d h LEU 36 N -0.71 0.62 -0.89 2.23 6.46 -0.55 -2.74 115.31 119.74 1d2d h LEU 36 Ca -0.07 -0.29 0.14 0.00 -0.12 0.00 0.00 57.88 57.54 1d2d h LEU 36 Cb 0.54 -0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.21 1d2d h LEU 36 CO 0.12 0.98 0.49 0.07 -0.62 0.00 0.00 178.44 179.48 1d2d h LYS 37 N 0.47 0.71 -0.79 1.25 2.10 -1.28 1.28 116.57 120.31 1d2d h LYS 37 Ca 0.03 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1d2d h LYS 37 Cb 0.96 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.09 1d2d h LYS 37 CO 0.09 0.47 0.42 0.00 -2.00 0.00 0.00 179.45 178.42 1d2d h ALA 38 N 1.55 1.25 -0.64 0.07 0.00 -1.29 -1.60 119.26 118.59 1d2d h ALA 38 Ca 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1d2d h ALA 38 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1d2d h ALA 38 CO -0.33 0.60 0.05 1.49 0.00 0.00 0.00 179.25 181.06 1d2d h GLU 39 N 1.11 1.10 0.00 0.00 4.57 0.31 -3.37 114.58 118.30 1d2d h GLU 39 Ca 0.28 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1d2d h GLU 39 Cb 0.05 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1d2d h GLU 39 CO -0.04 1.04 0.00 0.98 -1.18 0.00 0.00 179.01 179.81 1d2d n TYR 40 N -4.19 0.00 -3.18 0.92 9.36 0.39 -4.75 117.16 115.70 1d2d n TYR 40 Ca 0.04 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.11 1d2d n TYR 40 Cb 0.33 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.00 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 -0.02 -0.96 0.00 2.98 2.85 -0.89 -4.81 118.16 117.32 1d2d n LYS 41 Ca 0.00 0.04 -0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1d2d n LYS 41 Cb 0.00 -1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 32.76 1d2d n LYS 41 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1d2d h GLU 42 N -0.22 -0.01 0.00 -1.58 5.08 -1.90 -3.45 114.58 112.49 1d2d h GLU 42 Ca -0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1d2d h GLU 42 Cb 0.60 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 1d2d h GLU 42 CO 0.32 -0.01 0.01 0.36 -1.00 0.00 0.00 179.01 178.69 1d2d n LYS 43 N -2.08 0.43 0.00 2.33 2.85 -1.26 -5.00 118.16 115.42 1d2d n LYS 43 Ca -0.00 -0.73 0.00 0.00 -1.05 0.00 0.00 58.31 56.53 1d2d n LYS 43 Cb 0.00 0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 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 -0.53 0.00 -0.04 0.58 -1.04 -1.26 -4.93 114.28 107.06 1d2d n THR 44 Ca -0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.85 1d2d n THR 44 Cb 0.67 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.07 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 1.38 -0.63 2.27 3.41 0.00 -1.26 -5.09 105.19 105.28 1d2d n GLY 45 Ca 0.00 -0.26 -0.03 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 -2.26 -3.83 -3.13 1.61 4.01 -1.26 -4.55 118.16 108.75 1d2d n LYS 46 Ca -0.13 2.94 -0.14 0.00 -0.51 0.00 0.00 58.31 60.48 1d2d n LYS 46 Cb 0.68 -4.12 0.07 0.00 -0.51 0.00 0.00 35.03 31.14 1d2d n LYS 46 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1d2d n GLU 47 N 1.39 -2.34 -1.39 1.97 -0.58 -1.12 -4.81 120.64 113.76 1d2d n GLU 47 Ca -0.23 0.80 -0.47 0.00 -0.42 0.00 0.00 57.16 56.84 1d2d n GLU 47 Cb 0.36 -5.52 -0.02 0.00 -0.57 0.00 0.00 31.44 25.68 1d2d n GLU 47 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1d2d n TYR 48 N -3.15 -0.73 -3.38 -0.32 4.19 -1.23 -4.83 117.16 107.70 1d2d n TYR 48 Ca -0.08 0.90 -0.45 0.00 3.31 0.00 0.00 57.90 61.58 1d2d n TYR 48 Cb 0.61 -1.94 -0.07 0.00 0.49 0.00 0.00 39.34 38.44 1d2d n TYR 48 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1d2d s VAL 49 N -1.13 5.15 -0.03 2.97 1.01 -1.26 -4.74 120.40 122.37 1d2d s VAL 49 Ca 0.63 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1d2d s VAL 49 Cb -0.87 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 31.37 1d2d s VAL 49 CO 0.57 -0.66 -0.01 1.55 0.00 0.00 0.00 175.10 176.56 1d2d h PRO 50 N 8.76 0.00 0.00 2.72 0.13 -1.91 -3.50 132.00 138.21 1d2d h PRO 50 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1d2d h PRO 50 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1d2d h PRO 50 CO 0.91 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 1d2d n GLY 51 N 1.88 -0.63 0.00 1.56 0.00 -1.26 -5.03 105.19 101.71 1d2d n GLY 51 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.45 1.47 -3.74 0.99 4.77 -1.26 -4.92 117.00 111.86 1d2d n LEU 52 Ca 0.00 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 1d2d n LEU 52 Cb 0.00 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1d2d n LEU 52 CO 0.00 -0.21 0.08 1.21 -1.33 0.00 0.00 177.39 177.13 1d2d n GLU 53 N -1.26 -5.12 -0.82 3.23 2.13 -1.26 -4.25 120.64 113.29 1d2d n GLU 53 Ca 0.00 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1d2d n GLU 53 Cb 0.00 -5.47 0.00 0.00 0.27 0.00 0.00 31.44 26.24 1d2d n GLU 53 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1d2d n HIS 54 N -4.55 0.00 -3.93 4.31 -0.00 -1.24 -4.78 115.22 105.03 1d2d n HIS 54 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.41 1d2d n HIS 54 Cb 0.54 -1.88 -0.05 0.00 -0.00 0.00 0.00 29.99 28.60 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 0.00 3.50 0.00 1.57 2.46 -1.26 -5.14 115.29 116.42 1d2d s HIS 55 Ca 0.00 0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.84 1d2d s HIS 55 Cb 0.00 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.65 1d2d s HIS 55 CO 0.00 0.62 0.00 1.58 -2.47 0.00 0.00 174.74 174.47