#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp h ALA 2 N 0.00 -0.25 -0.95 3.52 0.00 -2.08 -3.25 119.26 116.25 1sqp h ALA 2 Ca 0.00 -0.19 -0.49 0.00 0.00 0.00 0.00 54.91 54.23 1sqp h ALA 2 Cb 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 1sqp h ALA 2 CO 0.00 -0.29 0.62 -0.35 0.00 0.00 0.00 179.25 179.24 1sqp n PRO 3 N -4.93 2.21 -1.21 0.00 -0.04 -1.26 -5.04 135.00 124.73 1sqp n PRO 3 Ca -0.07 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 1sqp n PRO 3 Cb 0.23 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1sqp n PRO 3 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sqp n THR 4 N -1.05 -4.20 0.00 0.52 -1.04 -1.23 -4.46 114.28 102.83 1sqp n THR 4 Ca 0.57 1.78 0.00 0.00 -2.04 0.00 0.00 64.05 64.36 1sqp n THR 4 Cb 1.62 -2.54 0.30 0.00 -1.82 0.00 0.00 70.33 67.89 1sqp n THR 4 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1sqp h LEU 5 N 1.63 0.48 -0.93 -4.42 8.10 -1.96 -2.70 115.31 115.50 1sqp h LEU 5 Ca 0.00 -0.09 -0.10 0.00 0.11 0.00 0.00 57.88 57.80 1sqp h LEU 5 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1sqp h LEU 5 CO 0.00 0.55 -0.27 0.71 -4.11 0.00 0.00 178.44 175.32 1sqp h THR 6 N 0.50 1.27 -0.24 0.15 1.35 -1.98 -0.90 112.91 113.05 1sqp h THR 6 Ca 0.11 -1.30 -0.06 0.00 -0.55 0.00 0.00 66.41 64.61 1sqp h THR 6 Cb 0.32 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1sqp h THR 6 CO 0.01 0.41 -0.08 0.00 -0.25 0.00 0.00 175.52 175.61 1sqp h ALA 7 N 1.31 0.33 0.00 6.62 0.00 -1.72 -1.85 119.26 123.96 1sqp h ALA 7 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1sqp h ALA 7 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sqp h ALA 7 CO 0.05 0.15 -0.41 -0.09 0.00 0.00 0.00 179.25 178.95 1sqp h ARG 8 N 0.21 0.00 -0.06 0.00 2.43 -1.47 -1.48 114.38 114.01 1sqp h ARG 8 Ca 0.06 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1sqp h ARG 8 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1sqp h ARG 8 CO 0.03 0.41 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.28 1sqp h LEU 9 N 0.00 0.21 0.04 3.80 -0.00 -1.12 -2.23 115.31 116.01 1sqp h LEU 9 Ca -0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1sqp h LEU 9 Cb 0.91 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1sqp h LEU 9 CO 0.05 0.72 -0.02 0.22 -0.00 0.00 0.00 178.44 179.42 1sqp h TYR 10 N 0.15 -0.05 0.00 1.13 3.20 -0.97 -2.34 116.97 118.09 1sqp h TYR 10 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1sqp h TYR 10 Cb 1.02 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1sqp h TYR 10 CO 0.02 0.59 -0.18 0.66 -1.64 0.00 0.00 178.16 177.61 1sqp h SER 11 N -0.76 0.00 0.23 -2.11 4.64 -1.35 0.43 113.55 114.63 1sqp h SER 11 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 1sqp h SER 11 Cb 0.66 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 1sqp h SER 11 CO 0.01 0.18 -2.06 0.18 -0.87 0.00 0.00 176.83 174.26 1sqp n LEU 12 N -3.75 0.69 0.00 5.97 4.77 -0.84 -4.74 117.00 119.10 1sqp n LEU 12 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1sqp n LEU 12 Cb 0.29 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1sqp n LEU 12 CO 0.32 0.49 -0.23 0.18 -1.33 0.00 0.00 177.39 176.82 1sqp n LEU 13 N -2.95 0.83 0.19 2.23 4.77 -0.92 -4.90 117.00 116.24 1sqp n LEU 13 Ca -0.26 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1sqp n LEU 13 Cb 1.10 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 42.43 1sqp n LEU 13 CO 0.43 0.03 0.68 -0.26 -1.33 0.00 0.00 177.39 176.94 1sqp h PHE 14 N 0.00 0.00 0.10 -1.77 0.04 -0.98 -1.03 116.94 113.31 1sqp h PHE 14 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sqp h PHE 14 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1sqp h PHE 14 CO 0.00 0.29 -0.15 -0.09 -0.60 0.00 0.00 178.31 177.76 1sqp h ARG 15 N 0.00 -0.25 -6.63 1.51 9.65 -1.22 -3.42 114.38 114.02 1sqp h ARG 15 Ca -0.00 0.02 -0.51 0.00 -1.10 0.00 0.00 59.98 58.39 1sqp h ARG 15 Cb 1.03 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1sqp h ARG 15 CO 0.04 -0.17 0.27 1.03 2.80 0.00 0.00 179.97 183.94 1sqp s ARG 16 N -3.82 4.72 0.51 0.20 0.52 -1.26 -4.95 118.95 114.88 1sqp s ARG 16 Ca -0.05 1.33 0.26 0.00 -0.52 0.00 0.00 55.73 56.76 1sqp s ARG 16 Cb 0.01 -3.28 1.40 0.00 0.52 0.00 0.00 34.95 33.61 1sqp s ARG 16 CO 0.18 0.52 2.06 1.15 0.02 0.00 0.00 175.30 179.23 1sqp h THR 17 N 3.29 0.61 0.62 0.02 2.02 -1.89 -1.17 112.91 116.40 1sqp h THR 17 Ca -0.46 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1sqp h THR 17 Cb 1.20 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1sqp h THR 17 CO 0.67 0.12 -0.30 0.77 0.37 0.00 0.00 175.52 177.16 1sqp h SER 18 N 0.00 -0.70 0.52 4.18 4.64 -1.92 -0.28 113.55 119.99 1sqp h SER 18 Ca -0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1sqp h SER 18 Cb 0.34 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1sqp h SER 18 CO 0.02 -0.38 -0.27 0.71 -0.87 0.00 0.00 176.83 176.04 1sqp h THR 19 N -1.04 0.88 -0.12 2.95 1.35 -1.72 -0.02 112.91 115.20 1sqp h THR 19 Ca -0.08 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1sqp h THR 19 Cb 0.69 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1sqp h THR 19 CO 0.14 0.27 0.04 0.15 -0.25 0.00 0.00 175.52 175.87 1sqp h PHE 20 N 0.00 0.18 0.09 4.73 3.57 0.11 -1.08 116.94 124.54 1sqp h PHE 20 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sqp h PHE 20 Cb 0.61 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1sqp h PHE 20 CO 0.00 0.29 -0.04 0.00 -2.23 0.00 0.00 178.31 176.32 1sqp h ALA 21 N 0.87 -0.12 -0.95 2.41 0.00 -0.58 -2.22 119.26 118.67 1sqp h ALA 21 Ca 0.04 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1sqp h ALA 21 Cb 0.19 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1sqp h ALA 21 CO -0.00 -0.55 0.61 1.25 0.00 0.00 0.00 179.25 180.56 1sqp h LEU 22 N -0.15 0.92 -0.79 0.00 5.85 -1.01 0.11 115.31 120.24 1sqp h LEU 22 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1sqp h LEU 22 Cb 0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1sqp h LEU 22 CO 0.02 0.55 0.23 0.74 -0.34 0.00 0.00 178.44 179.64 1sqp h THR 23 N 1.02 1.26 0.02 1.05 2.02 -1.09 -0.91 112.91 116.29 1sqp h THR 23 Ca 0.44 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1sqp h THR 23 Cb 0.33 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1sqp h THR 23 CO -0.19 0.35 -0.01 0.40 0.37 0.00 0.00 175.52 176.44 1sqp h ILE 24 N 1.09 1.21 -0.57 3.11 2.04 -0.21 0.16 117.51 124.33 1sqp h ILE 24 Ca 0.24 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1sqp h ILE 24 Cb 0.30 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1sqp h ILE 24 CO -0.01 0.18 0.01 0.58 0.00 0.00 0.00 178.15 178.92 1sqp h VAL 25 N -0.34 1.26 -0.50 1.67 2.07 -1.10 0.74 116.25 120.05 1sqp h VAL 25 Ca -0.00 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1sqp h VAL 25 Cb 0.32 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1sqp h VAL 25 CO 0.01 0.39 -0.01 0.58 0.02 0.00 0.00 177.57 178.56 1sqp h VAL 26 N 0.89 1.26 -0.29 2.57 2.07 -1.19 -2.96 116.25 118.60 1sqp h VAL 26 Ca 0.17 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1sqp h VAL 26 Cb 0.50 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1sqp h VAL 26 CO 0.02 0.38 -0.20 1.23 0.02 0.00 0.00 177.57 179.03 1sqp h GLY 27 N 0.74 0.58 2.00 2.17 0.00 -0.06 -2.72 103.07 105.78 1sqp h GLY 27 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1sqp h GLY 27 CO 0.03 0.41 -0.44 0.00 0.00 0.00 0.00 176.54 176.54 1sqp h ALA 28 N 1.31 1.25 0.02 3.60 0.00 0.53 -0.93 119.26 125.05 1sqp h ALA 28 Ca 0.08 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1sqp h ALA 28 Cb 0.61 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sqp h ALA 28 CO 0.04 0.55 -0.37 1.25 0.00 0.00 0.00 179.25 180.72 1sqp h LEU 29 N 0.00 0.28 0.04 0.00 5.85 -1.43 -2.69 115.31 117.36 1sqp h LEU 29 Ca -0.00 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 57.90 1sqp h LEU 29 Cb 0.79 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1sqp h LEU 29 CO 0.06 1.08 -0.11 -0.26 -0.34 0.00 0.00 178.44 178.87 1sqp h PHE 30 N -0.49 -0.29 -0.74 1.25 0.04 -1.45 -3.14 116.94 112.11 1sqp h PHE 30 Ca -0.05 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1sqp h PHE 30 Cb 1.16 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 39.40 1sqp h PHE 30 CO 0.19 -0.17 0.42 0.35 -0.60 0.00 0.00 178.31 178.50 1sqp h PHE 31 N -0.21 1.00 -0.97 -0.55 3.57 -1.28 -2.49 116.94 116.00 1sqp h PHE 31 Ca 0.03 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sqp h PHE 31 Cb 0.24 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1sqp h PHE 31 CO -0.16 0.69 0.64 1.49 -2.23 0.00 0.00 178.31 178.74 1sqp h GLU 32 N 1.03 1.27 0.24 1.11 4.81 -1.43 -0.42 114.58 121.18 1sqp h GLU 32 Ca 0.26 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1sqp h GLU 32 Cb 0.01 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1sqp h GLU 32 CO -0.04 0.84 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.87 1sqp h ARG 33 N 1.31 -0.31 0.00 1.92 9.65 -1.42 -1.82 114.38 123.71 1sqp h ARG 33 Ca 0.36 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1sqp h ARG 33 Cb -0.14 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1sqp h ARG 33 CO -0.08 0.03 -0.01 0.00 2.80 0.00 0.00 179.97 182.72 1sqp h ALA 34 N -0.12 1.02 0.02 2.80 0.00 -1.31 -3.18 119.26 118.48 1sqp h ALA 34 Ca -0.03 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 1sqp h ALA 34 Cb 0.49 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1sqp h ALA 34 CO 0.05 0.01 -2.20 0.34 0.00 0.00 0.00 179.25 177.45 1sqp n PHE 35 N -3.12 0.38 0.07 0.00 -0.00 -0.18 -3.38 117.46 111.23 1sqp n PHE 35 Ca -0.02 0.13 -0.08 0.00 -0.00 0.00 0.00 57.45 57.48 1sqp n PHE 35 Cb 0.17 -1.04 -0.05 0.00 -0.00 0.00 0.00 39.48 38.56 1sqp n PHE 35 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1sqp h ASP 36 N -0.57 -0.78 0.77 -2.13 3.32 -1.31 0.08 116.42 115.79 1sqp h ASP 36 Ca -0.56 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.42 1sqp h ASP 36 Cb 1.69 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 41.51 1sqp h ASP 36 CO -0.22 -0.29 -0.69 0.06 -1.72 0.00 0.00 179.24 176.38 1sqp h GLN 37 N -0.39 0.00 -0.62 3.56 -0.00 -1.82 -1.47 115.11 114.37 1sqp h GLN 37 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1sqp h GLN 37 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.84 1sqp h GLN 37 CO -0.13 0.69 0.23 0.78 -0.00 0.00 0.00 178.83 180.40 1sqp h GLY 38 N 2.23 0.98 1.81 0.06 0.00 -1.56 0.17 103.07 106.77 1sqp h GLY 38 Ca -0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 1sqp h GLY 38 CO 0.09 0.49 -0.92 0.00 0.00 0.00 0.00 176.54 176.20 1sqp h ALA 39 N 1.35 0.54 -0.50 3.60 0.00 -0.92 -3.28 119.26 120.05 1sqp h ALA 39 Ca 0.21 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1sqp h ALA 39 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sqp h ALA 39 CO -0.02 1.01 -0.05 -0.44 0.00 0.00 0.00 179.25 179.75 1sqp h ASP 40 N 0.00 0.87 -0.44 0.00 3.32 -0.92 -1.94 116.42 117.30 1sqp h ASP 40 Ca -0.05 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1sqp h ASP 40 Cb 1.63 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 1sqp h ASP 40 CO 0.09 0.96 0.20 0.00 -1.72 0.00 0.00 179.24 178.77 1sqp h ALA 41 N 1.13 1.42 -0.06 3.45 0.00 -0.78 0.58 119.26 125.00 1sqp h ALA 41 Ca 0.14 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1sqp h ALA 41 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sqp h ALA 41 CO 0.03 0.44 -0.67 0.82 0.00 0.00 0.00 179.25 179.88 1sqp h ILE 42 N 0.70 1.41 0.00 0.00 5.03 -1.59 -3.01 117.51 120.05 1sqp h ILE 42 Ca 0.17 -2.12 -0.08 0.00 -0.12 0.00 0.00 64.86 62.71 1sqp h ILE 42 Cb 0.14 2.10 -0.01 0.00 -3.03 0.00 0.00 36.82 36.02 1sqp h ILE 42 CO -0.02 0.63 -0.37 0.22 -0.68 0.00 0.00 178.15 177.93 1sqp h TYR 43 N 0.17 0.00 -0.20 1.37 3.20 -0.78 -2.94 116.97 117.81 1sqp h TYR 43 Ca -0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1sqp h TYR 43 Cb 1.20 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1sqp h TYR 43 CO 0.02 0.37 0.05 0.93 -1.64 0.00 0.00 178.16 177.90 1sqp h GLU 44 N 0.00 0.31 -0.17 1.82 3.07 -0.81 -3.21 114.58 115.59 1sqp h GLU 44 Ca -0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 1sqp h GLU 44 Cb 0.73 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1sqp h GLU 44 CO 0.05 0.43 -0.12 0.45 -1.40 0.00 0.00 179.01 178.42 1sqp h HIS 45 N 0.14 0.28 0.00 4.33 3.86 -1.38 -1.63 115.15 120.75 1sqp h HIS 45 Ca 0.06 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1sqp h HIS 45 Cb 0.26 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1sqp h HIS 45 CO 0.01 0.39 -0.08 0.82 0.86 0.00 0.00 177.93 179.92 1sqp h ILE 46 N 0.26 0.00 -1.28 2.45 2.04 -1.64 -3.31 117.51 116.03 1sqp h ILE 46 Ca 0.05 -0.58 -0.49 0.00 1.00 0.00 0.00 64.86 64.84 1sqp h ILE 46 Cb 0.37 1.53 -0.41 0.00 -0.74 0.00 0.00 36.82 37.57 1sqp h ILE 46 CO 0.02 0.00 -0.92 0.59 0.00 0.00 0.00 178.15 177.84 1sqp n ASN 47 N -2.41 3.41 -0.24 1.72 3.02 -0.80 -5.01 115.26 114.96 1sqp n ASN 47 Ca 0.05 -3.31 0.23 0.00 -0.03 0.00 0.00 54.58 51.53 1sqp n ASN 47 Cb 0.45 -0.48 0.43 0.00 -0.61 0.00 0.00 39.78 39.57 1sqp n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sqp n GLU 48 N -0.33 -0.05 0.00 3.52 -0.58 -0.68 -2.66 120.64 119.86 1sqp n GLU 48 Ca 0.27 1.03 0.00 0.00 -0.42 0.00 0.00 57.16 58.05 1sqp n GLU 48 Cb 0.73 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1sqp n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sqp n GLY 49 N -1.20 1.00 0.00 0.62 0.00 -1.26 -4.91 105.19 99.44 1sqp n GLY 49 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1sqp n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sqp n LYS 50 N 0.00 0.94 -3.80 1.61 2.85 -1.09 -4.42 118.16 114.26 1sqp n LYS 50 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1sqp n LYS 50 Cb 0.14 -1.33 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 1sqp n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1sqp s LEU 51 N -1.66 4.28 0.45 -5.58 1.43 -1.25 -5.03 118.68 111.33 1sqp s LEU 51 Ca 0.30 0.34 0.17 0.00 -1.03 0.00 0.00 54.13 53.91 1sqp s LEU 51 Cb 0.14 -3.08 1.07 0.00 0.03 0.00 0.00 46.19 44.35 1sqp s LEU 51 CO 0.23 0.03 1.99 -0.25 0.23 0.00 0.00 176.35 178.58 1sqp h TRP 52 N 2.31 0.00 0.00 0.29 7.01 -1.97 -2.25 115.95 121.35 1sqp h TRP 52 Ca -0.47 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.52 1sqp h TRP 52 Cb 1.18 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1sqp h TRP 52 CO 0.56 0.19 -0.05 -0.22 -2.79 0.00 0.00 178.44 176.13 1sqp h LYS 53 N 0.00 0.00 0.13 2.65 3.64 -1.95 -0.90 116.57 120.14 1sqp h LYS 53 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1sqp h LYS 53 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1sqp h LYS 53 CO 0.03 0.05 -1.65 0.45 -2.27 0.00 0.00 179.45 176.06 1sqp h HIS 54 N 0.00 0.50 -0.51 1.91 3.86 -1.71 -3.37 115.15 115.84 1sqp h HIS 54 Ca -0.00 -0.37 0.03 0.00 -1.16 0.00 0.00 60.37 58.87 1sqp h HIS 54 Cb 0.11 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1sqp h HIS 54 CO 0.00 1.65 0.28 0.82 0.86 0.00 0.00 177.93 181.54 1sqp h ILE 55 N -0.14 1.02 0.00 2.45 2.04 -1.40 -3.41 117.51 118.07 1sqp h ILE 55 Ca -0.35 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1sqp h ILE 55 Cb 1.90 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1sqp h ILE 55 CO 0.08 0.10 0.00 1.17 0.00 0.00 0.00 178.15 179.50 1sqp n LYS 56 N -4.83 0.00 0.02 2.37 4.81 -0.35 -0.88 118.16 119.30 1sqp n LYS 56 Ca 0.04 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.52 1sqp n LYS 56 Cb 0.10 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.35 1sqp n LYS 56 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1sqp n HIS 57 N -0.19 0.11 0.03 5.64 1.44 -1.26 -2.49 115.22 118.50 1sqp n HIS 57 Ca 0.00 0.05 -0.04 0.00 -2.01 0.00 0.00 57.72 55.72 1sqp n HIS 57 Cb 0.00 -0.58 0.19 0.00 0.12 0.00 0.00 29.99 29.71 1sqp n HIS 57 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1sqp h LYS 58 N 0.00 0.44 -2.95 -1.40 6.56 -1.35 -3.35 116.57 114.52 1sqp h LYS 58 Ca 0.00 -0.19 -0.61 0.00 -1.06 0.00 0.00 60.65 58.79 1sqp h LYS 58 Cb 0.13 -0.02 -0.41 0.00 -0.57 0.00 0.00 32.23 31.36 1sqp h LYS 58 CO 0.00 0.71 -0.64 0.66 -2.06 0.00 0.00 179.45 178.12 1sqp n TYR 59 N -4.08 2.54 -4.75 -1.35 4.01 -1.04 -5.08 117.16 107.41 1sqp n TYR 59 Ca -0.01 -4.14 -0.25 0.00 -0.16 0.00 0.00 57.90 53.34 1sqp n TYR 59 Cb 0.45 -0.47 -0.16 0.00 -0.31 0.00 0.00 39.34 38.84 1sqp n TYR 59 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1sqp s GLU 60 N -1.22 1.69 0.00 -0.72 -6.30 -1.26 -5.03 118.70 105.86 1sqp s GLU 60 Ca 0.26 -0.55 0.24 0.00 -2.50 0.00 0.00 54.97 52.43 1sqp s GLU 60 Cb -0.03 -1.46 1.45 0.00 0.00 0.00 0.00 34.13 34.09 1sqp s GLU 60 CO -0.18 0.19 1.81 0.09 0.02 0.00 0.00 175.26 177.20