#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb h ALA 2 N 0.00 -0.44 -2.58 2.33 0.00 -2.08 -3.38 119.26 113.11 1sqb h ALA 2 Ca 0.00 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1sqb h ALA 2 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1sqb h ALA 2 CO 0.00 -0.63 -0.06 -2.14 0.00 0.00 0.00 179.25 176.42 1sqb s PRO 3 N -5.10 4.01 0.67 0.00 0.02 -1.26 -5.09 135.00 128.25 1sqb s PRO 3 Ca -0.15 0.54 -0.17 0.00 0.02 0.00 0.00 61.00 61.24 1sqb s PRO 3 Cb 0.03 -2.90 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 1sqb s PRO 3 CO 0.58 0.46 0.99 2.41 -0.33 0.00 0.00 177.00 181.10 1sqb n THR 4 N 0.73 3.39 -0.32 0.99 -1.04 -1.26 -4.69 114.28 112.09 1sqb n THR 4 Ca -0.05 -0.44 0.11 0.00 -2.04 0.00 0.00 64.05 61.64 1sqb n THR 4 Cb 0.52 -1.15 0.33 0.00 -1.82 0.00 0.00 70.33 68.21 1sqb n THR 4 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1sqb h LEU 5 N 0.08 0.75 -0.51 -4.42 6.46 -1.98 0.20 115.31 115.89 1sqb h LEU 5 Ca -0.48 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.19 1sqb h LEU 5 Cb 1.35 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1sqb h LEU 5 CO 0.49 0.35 -0.39 0.71 -0.62 0.00 0.00 178.44 178.98 1sqb h THR 6 N 0.78 1.28 -0.53 1.05 1.35 -1.98 -2.19 112.91 112.67 1sqb h THR 6 Ca 0.50 -1.56 -0.07 0.00 -0.55 0.00 0.00 66.41 64.73 1sqb h THR 6 Cb 0.74 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1sqb h THR 6 CO -0.27 0.51 0.06 0.00 -0.25 0.00 0.00 175.52 175.58 1sqb h ALA 7 N 0.91 0.70 0.00 6.62 0.00 -1.56 -0.71 119.26 125.23 1sqb h ALA 7 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1sqb h ALA 7 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1sqb h ALA 7 CO 0.09 0.47 -0.32 -0.09 0.00 0.00 0.00 179.25 179.39 1sqb h ARG 8 N 0.77 0.00 0.01 0.00 2.43 -1.08 -2.35 114.38 114.17 1sqb h ARG 8 Ca 0.16 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.12 1sqb h ARG 8 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1sqb h ARG 8 CO 0.02 0.32 -0.92 -0.07 -1.51 0.00 0.00 179.97 177.81 1sqb h LEU 9 N 0.00 0.31 -0.05 3.80 3.38 -1.11 -2.67 115.31 118.97 1sqb h LEU 9 Ca -0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1sqb h LEU 9 Cb 1.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1sqb h LEU 9 CO 0.04 1.07 -0.13 0.22 0.09 0.00 0.00 178.44 179.74 1sqb h TYR 10 N 0.12 0.23 -0.83 1.13 3.20 -1.11 -2.11 116.97 117.60 1sqb h TYR 10 Ca -0.06 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.80 1sqb h TYR 10 Cb 1.56 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.72 1sqb h TYR 10 CO 0.04 0.73 0.50 0.77 -1.64 0.00 0.00 178.16 178.55 1sqb h SER 11 N -0.34 0.76 0.19 -2.11 0.02 -1.50 -1.21 113.55 109.35 1sqb h SER 11 Ca -0.00 0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.62 1sqb h SER 11 Cb 0.73 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1sqb h SER 11 CO 0.03 0.47 -1.97 0.18 -1.14 0.00 0.00 176.83 174.39 1sqb n LEU 12 N -4.67 2.27 0.00 5.07 4.77 -1.01 -4.70 117.00 118.73 1sqb n LEU 12 Ca 0.12 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1sqb n LEU 12 Cb 0.21 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1sqb n LEU 12 CO 0.29 0.76 -0.30 0.18 -1.33 0.00 0.00 177.39 176.99 1sqb n LEU 13 N -3.37 0.00 -0.00 2.23 4.77 -0.87 -4.83 117.00 114.93 1sqb n LEU 13 Ca -0.30 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.78 1sqb n LEU 13 Cb 1.05 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.01 1sqb n LEU 13 CO 0.42 0.00 -0.18 0.49 -1.33 0.00 0.00 177.39 176.79 1sqb n PHE 14 N -1.00 0.00 0.27 -1.77 3.72 -0.85 -1.79 117.46 116.04 1sqb n PHE 14 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1sqb n PHE 14 Cb 0.05 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 1sqb n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sqb h ARG 15 N 0.00 -0.68 -6.65 -1.08 3.08 -1.51 -3.43 114.38 104.11 1sqb h ARG 15 Ca 0.00 0.05 -0.52 0.00 0.07 0.00 0.00 59.98 59.58 1sqb h ARG 15 Cb 0.59 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.81 1sqb h ARG 15 CO 0.00 -0.45 0.53 0.50 -1.07 0.00 0.00 179.97 179.47 1sqb s ARG 16 N -4.27 4.52 0.44 0.04 3.52 -1.26 -4.93 118.95 117.01 1sqb s ARG 16 Ca -0.10 1.81 0.22 0.00 -0.13 0.00 0.00 55.73 57.52 1sqb s ARG 16 Cb 0.01 -3.26 0.99 0.00 -1.56 0.00 0.00 34.95 31.13 1sqb s ARG 16 CO 0.31 -0.04 1.88 1.15 -0.81 0.00 0.00 175.30 177.79 1sqb h THR 17 N 3.79 0.76 0.78 4.11 2.02 -1.91 -1.63 112.91 120.84 1sqb h THR 17 Ca -0.44 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 1sqb h THR 17 Cb 1.21 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 69.29 1sqb h THR 17 CO 0.74 0.25 -0.38 -1.28 0.37 0.00 0.00 175.52 175.23 1sqb h SER 18 N 0.00 -0.89 0.73 4.18 0.87 -1.94 -0.72 113.55 115.78 1sqb h SER 18 Ca -0.00 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1sqb h SER 18 Cb 0.64 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1sqb h SER 18 CO 0.03 -0.63 -0.23 0.71 -0.53 0.00 0.00 176.83 176.18 1sqb h THR 19 N -1.06 0.63 -0.33 2.23 1.35 -1.79 -0.79 112.91 113.16 1sqb h THR 19 Ca -0.11 -1.03 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1sqb h THR 19 Cb 0.81 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1sqb h THR 19 CO 0.18 0.22 0.04 0.15 -0.25 0.00 0.00 175.52 175.86 1sqb h PHE 20 N 0.00 0.59 -0.48 4.73 3.57 -0.48 -0.17 116.94 124.71 1sqb h PHE 20 Ca -0.00 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 1sqb h PHE 20 Cb 0.65 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1sqb h PHE 20 CO 0.00 0.63 -0.06 0.00 -2.23 0.00 0.00 178.31 176.65 1sqb h ALA 21 N 0.88 0.65 -0.73 2.41 0.00 -0.77 -2.02 119.26 119.68 1sqb h ALA 21 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1sqb h ALA 21 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sqb h ALA 21 CO 0.01 0.51 0.34 1.25 0.00 0.00 0.00 179.25 181.36 1sqb h LEU 22 N 0.73 0.97 -0.79 0.00 5.85 -1.13 0.20 115.31 121.14 1sqb h LEU 22 Ca 0.13 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1sqb h LEU 22 Cb 0.59 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1sqb h LEU 22 CO 0.04 0.84 -0.13 0.74 -0.34 0.00 0.00 178.44 179.59 1sqb h THR 23 N 1.03 1.26 -0.25 1.05 2.02 -0.96 0.26 112.91 117.33 1sqb h THR 23 Ca 0.25 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1sqb h THR 23 Cb 0.13 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1sqb h THR 23 CO -0.03 0.41 0.07 0.40 0.37 0.00 0.00 175.52 176.74 1sqb h ILE 24 N 0.70 1.20 -0.02 3.11 2.04 -0.89 0.13 117.51 123.80 1sqb h ILE 24 Ca 0.12 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1sqb h ILE 24 Cb 0.61 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1sqb h ILE 24 CO 0.04 0.21 0.00 0.58 0.00 0.00 0.00 178.15 178.98 1sqb h VAL 25 N 0.23 1.19 -0.68 1.67 2.07 -0.76 0.38 116.25 120.35 1sqb h VAL 25 Ca 0.08 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1sqb h VAL 25 Cb 0.25 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1sqb h VAL 25 CO -0.00 0.15 0.23 0.58 0.02 0.00 0.00 177.57 178.55 1sqb h VAL 26 N -0.21 1.25 0.00 2.57 2.07 -1.00 -2.44 116.25 118.48 1sqb h VAL 26 Ca 0.01 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1sqb h VAL 26 Cb 0.24 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1sqb h VAL 26 CO 0.00 0.33 -0.24 1.23 0.02 0.00 0.00 177.57 178.91 1sqb h GLY 27 N 0.99 0.00 1.50 2.17 0.00 -0.60 -2.81 103.07 104.32 1sqb h GLY 27 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.36 1sqb h GLY 27 CO -0.01 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 175.81 1sqb h ALA 28 N 1.76 0.55 0.13 3.60 0.00 0.22 -2.38 119.26 123.13 1sqb h ALA 28 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1sqb h ALA 28 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sqb h ALA 28 CO 0.03 0.74 -0.06 1.25 0.00 0.00 0.00 179.25 181.21 1sqb h LEU 29 N 0.34 -0.14 -1.02 0.00 6.46 -1.31 -2.36 115.31 117.28 1sqb h LEU 29 Ca -0.03 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.39 1sqb h LEU 29 Cb 1.31 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1sqb h LEU 29 CO 0.13 0.17 -0.40 -0.26 -0.62 0.00 0.00 178.44 177.46 1sqb h PHE 30 N -0.47 0.22 -0.44 1.25 -1.00 -1.61 -2.91 116.94 111.98 1sqb h PHE 30 Ca -0.02 -0.06 -0.12 0.00 2.81 0.00 0.00 57.97 60.58 1sqb h PHE 30 Cb 0.38 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1sqb h PHE 30 CO 0.02 0.56 -0.21 0.35 -1.61 0.00 0.00 178.31 177.42 1sqb h PHE 31 N 0.16 1.06 -0.82 -0.55 3.57 -1.46 -2.86 116.94 116.03 1sqb h PHE 31 Ca 0.02 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1sqb h PHE 31 Cb 0.77 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1sqb h PHE 31 CO 0.01 1.06 0.48 1.49 -2.23 0.00 0.00 178.31 179.12 1sqb h GLU 32 N 0.75 1.12 -0.09 1.11 4.81 -1.23 0.14 114.58 121.19 1sqb h GLU 32 Ca 0.10 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1sqb h GLU 32 Cb 0.78 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1sqb h GLU 32 CO 0.06 0.79 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.97 1sqb h ARG 33 N 1.13 0.21 -0.32 1.92 9.65 -1.55 -1.33 114.38 124.09 1sqb h ARG 33 Ca 0.29 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.99 1sqb h ARG 33 Cb -0.03 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1sqb h ARG 33 CO -0.05 0.62 -0.14 0.00 2.80 0.00 0.00 179.97 183.20 1sqb h ALA 34 N 0.58 1.17 0.05 2.80 0.00 -1.38 -3.15 119.26 119.32 1sqb h ALA 34 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sqb h ALA 34 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sqb h ALA 34 CO 0.02 0.53 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 1sqb h PHE 35 N 0.51 -0.06 -0.43 0.00 3.57 -0.75 -2.45 116.94 117.33 1sqb h PHE 35 Ca 0.09 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1sqb h PHE 35 Cb 0.54 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1sqb h PHE 35 CO 0.02 0.05 -0.34 -0.44 -2.23 0.00 0.00 178.31 175.36 1sqb h ASP 36 N -1.01 -1.15 -0.42 0.41 3.32 -1.36 0.29 116.42 116.50 1sqb h ASP 36 Ca -0.01 0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 1sqb h ASP 36 Cb 0.13 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1sqb h ASP 36 CO 0.01 -0.33 -0.12 -0.61 -1.72 0.00 0.00 179.24 176.47 1sqb h GLN 37 N -0.25 0.82 -0.60 3.56 -0.00 -1.74 -0.65 115.11 116.25 1sqb h GLN 37 Ca 0.18 -0.32 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 1sqb h GLN 37 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 1sqb h GLN 37 CO -0.57 0.95 0.33 0.78 0.00 0.00 0.00 178.83 180.32 1sqb h GLY 38 N 0.64 0.89 1.72 2.39 0.00 -0.98 0.17 103.07 107.90 1sqb h GLY 38 Ca 0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1sqb h GLY 38 CO 0.05 0.39 -0.58 0.00 0.00 0.00 0.00 176.54 176.40 1sqb h ALA 39 N 1.15 0.85 -0.63 3.60 0.00 -0.36 -2.44 119.26 121.43 1sqb h ALA 39 Ca 0.21 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1sqb h ALA 39 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1sqb h ALA 39 CO -0.03 0.71 0.08 -0.44 0.00 0.00 0.00 179.25 179.56 1sqb h ASP 40 N 0.22 1.01 -0.50 0.00 3.32 -0.81 -1.65 116.42 118.02 1sqb h ASP 40 Ca -0.00 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 1sqb h ASP 40 Cb 1.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1sqb h ASP 40 CO 0.09 1.02 0.09 0.00 -1.72 0.00 0.00 179.24 178.72 1sqb h ALA 41 N 1.10 1.12 -0.34 3.45 0.00 -0.60 -1.27 119.26 122.71 1sqb h ALA 41 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1sqb h ALA 41 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sqb h ALA 41 CO 0.02 0.58 -0.30 0.82 0.00 0.00 0.00 179.25 180.36 1sqb h ILE 42 N 0.83 1.28 0.00 0.00 5.03 -1.33 -2.98 117.51 120.34 1sqb h ILE 42 Ca 0.17 -1.43 -0.05 0.00 -0.12 0.00 0.00 64.86 63.43 1sqb h ILE 42 Cb 0.37 1.34 -0.01 0.00 -3.03 0.00 0.00 36.82 35.50 1sqb h ILE 42 CO 0.01 0.47 -0.23 0.22 -0.68 0.00 0.00 178.15 177.94 1sqb h TYR 43 N 0.61 0.00 -0.37 1.37 3.20 -0.89 -2.64 116.97 118.25 1sqb h TYR 43 Ca 0.07 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1sqb h TYR 43 Cb 0.81 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1sqb h TYR 43 CO 0.04 0.23 0.03 0.93 -1.64 0.00 0.00 178.16 177.75 1sqb h GLU 44 N 0.00 0.63 -0.43 1.82 3.07 -1.09 -3.08 114.58 115.50 1sqb h GLU 44 Ca -0.00 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.56 1sqb h GLU 44 Cb 0.50 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1sqb h GLU 44 CO 0.03 0.72 -0.17 1.25 -1.40 0.00 0.00 179.01 179.43 1sqb h HIS 45 N 0.46 0.93 0.00 4.33 2.76 -1.41 -1.95 115.15 120.27 1sqb h HIS 45 Ca 0.11 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1sqb h HIS 45 Cb 0.41 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1sqb h HIS 45 CO 0.03 0.94 0.00 0.82 -1.30 0.00 0.00 177.93 178.42 1sqb h ILE 46 N 0.73 0.00 -1.28 6.26 2.04 -1.64 -3.30 117.51 120.32 1sqb h ILE 46 Ca 0.11 -0.55 -0.51 0.00 1.00 0.00 0.00 64.86 64.90 1sqb h ILE 46 Cb 0.69 1.54 -0.41 0.00 -0.74 0.00 0.00 36.82 37.90 1sqb h ILE 46 CO 0.05 0.00 -0.88 0.59 0.00 0.00 0.00 178.15 177.91 1sqb n ASN 47 N -2.42 3.72 -4.66 1.72 3.02 -1.08 -5.07 115.26 110.49 1sqb n ASN 47 Ca 0.05 -3.39 -0.42 0.00 -0.03 0.00 0.00 54.58 50.79 1sqb n ASN 47 Cb 0.44 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1sqb n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1sqb s GLU 48 N -3.44 4.09 0.00 3.52 0.41 -0.75 -2.84 118.70 119.69 1sqb s GLU 48 Ca 0.42 2.39 0.00 0.00 -0.41 0.00 0.00 54.97 57.37 1sqb s GLU 48 Cb 0.41 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.66 1sqb s GLU 48 CO -0.10 -0.99 0.00 0.41 -0.49 0.00 0.00 175.26 174.08 1sqb n GLY 49 N 4.46 2.56 0.24 -1.39 0.00 -1.26 -4.81 105.19 104.99 1sqb n GLY 49 Ca 0.19 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1sqb n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqb h LYS 50 N 0.00 0.00 -6.86 1.61 1.57 -1.91 -3.40 116.57 107.58 1sqb h LYS 50 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1sqb h LYS 50 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sqb h LYS 50 CO 0.00 0.11 0.14 -0.51 -0.57 0.00 0.00 179.45 178.63 1sqb s LEU 51 N -8.67 3.87 0.46 2.94 1.43 -1.25 -4.99 118.68 112.48 1sqb s LEU 51 Ca -0.04 1.23 0.12 0.00 -1.03 0.00 0.00 54.13 54.40 1sqb s LEU 51 Cb 0.16 -4.10 1.06 0.00 0.03 0.00 0.00 46.19 43.34 1sqb s LEU 51 CO 0.68 -0.37 2.10 -0.25 0.23 0.00 0.00 176.35 178.73 1sqb h TRP 52 N 1.48 0.25 0.00 0.29 2.91 -1.97 -2.03 115.95 116.88 1sqb h TRP 52 Ca -0.47 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.53 1sqb h TRP 52 Cb 1.18 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.75 1sqb h TRP 52 CO 0.61 0.17 -0.08 0.87 -1.03 0.00 0.00 178.44 178.98 1sqb h LYS 53 N 0.27 0.00 0.13 2.65 1.57 -1.95 0.88 116.57 120.12 1sqb h LYS 53 Ca 0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.50 1sqb h LYS 53 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1sqb h LYS 53 CO -0.01 0.08 -1.87 0.45 -0.57 0.00 0.00 179.45 177.52 1sqb h HIS 54 N 0.00 0.52 -0.44 -1.35 3.86 -1.68 -3.39 115.15 112.67 1sqb h HIS 54 Ca -0.00 -0.38 -0.12 0.00 -1.16 0.00 0.00 60.37 58.71 1sqb h HIS 54 Cb 0.23 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1sqb h HIS 54 CO 0.00 1.67 -0.21 0.82 0.86 0.00 0.00 177.93 181.07 1sqb h ILE 55 N 0.08 1.27 0.00 2.45 2.04 -1.22 -3.40 117.51 118.73 1sqb h ILE 55 Ca -0.38 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1sqb h ILE 55 Cb 2.05 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1sqb h ILE 55 CO 0.12 0.46 0.00 0.29 0.00 0.00 0.00 178.15 179.02 1sqb n LYS 56 N -4.17 0.00 0.08 2.37 5.02 0.28 -0.47 118.16 121.27 1sqb n LYS 56 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 1sqb n LYS 56 Cb 0.45 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.82 1sqb n LYS 56 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1sqb n HIS 57 N -3.84 0.42 -0.07 2.13 1.44 -1.26 -2.99 115.22 111.06 1sqb n HIS 57 Ca 0.00 0.19 -0.13 0.00 -2.01 0.00 0.00 57.72 55.77 1sqb n HIS 57 Cb 0.00 -0.81 -0.06 0.00 0.12 0.00 0.00 29.99 29.24 1sqb n HIS 57 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1sqb h LYS 58 N 0.00 0.51 -4.58 -1.40 6.56 -1.12 -3.40 116.57 113.14 1sqb h LYS 58 Ca 0.00 -0.29 -0.68 0.00 -1.06 0.00 0.00 60.65 58.63 1sqb h LYS 58 Cb 0.16 0.02 -0.37 0.00 -0.57 0.00 0.00 32.23 31.47 1sqb h LYS 58 CO 0.00 0.87 -0.63 0.71 -2.06 0.00 0.00 179.45 178.35 1sqb s TYR 59 N -4.24 3.67 -0.04 -1.35 2.02 -1.16 -5.01 117.35 111.24 1sqb s TYR 59 Ca -0.13 -2.69 -0.03 0.00 -0.37 0.00 0.00 57.07 53.84 1sqb s TYR 59 Cb 0.07 -3.09 -0.01 0.00 -0.40 0.00 0.00 41.96 38.53 1sqb s TYR 59 CO 0.79 -0.96 -0.06 -1.91 -1.57 0.00 0.00 175.55 171.84 1sqb n GLU 60 N 4.43 0.13 0.00 -0.62 2.13 -1.26 -4.97 120.64 120.48 1sqb n GLU 60 Ca 0.01 0.27 0.15 0.00 0.66 0.00 0.00 57.16 58.25 1sqb n GLU 60 Cb 0.42 -0.96 0.70 0.00 0.27 0.00 0.00 31.44 31.87 1sqb n GLU 60 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81