#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv n ALA 2 N 0.00 2.30 -0.10 3.52 0.00 -1.26 -4.56 120.51 120.40 1sqv n ALA 2 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.49 1sqv n ALA 2 Cb 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1sqv n ALA 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sqv n PRO 3 N -2.50 0.54 -1.25 0.00 -0.02 -1.26 -4.82 135.00 125.69 1sqv n PRO 3 Ca -0.13 0.48 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1sqv n PRO 3 Cb 0.78 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.53 1sqv n PRO 3 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1sqv n THR 4 N -4.44 3.11 0.00 3.45 5.66 -1.26 -4.03 114.28 116.77 1sqv n THR 4 Ca -0.30 -2.36 0.00 0.00 -3.05 0.00 0.00 64.05 58.34 1sqv n THR 4 Cb 0.62 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 1sqv n THR 4 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1sqv n LEU 5 N 1.09 2.71 -0.35 1.09 7.94 -1.26 -3.47 117.00 124.75 1sqv n LEU 5 Ca 0.42 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.39 1sqv n LEU 5 Cb 0.62 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.81 1sqv n LEU 5 CO 0.29 0.45 1.21 0.71 -1.11 0.00 0.00 177.39 178.94 1sqv h THR 6 N 0.00 0.89 0.18 1.96 1.35 -1.93 0.96 112.91 116.31 1sqv h THR 6 Ca 0.00 -0.32 0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1sqv h THR 6 Cb 0.93 -0.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.19 1sqv h THR 6 CO 0.00 0.17 -0.49 0.00 -0.25 0.00 0.00 175.52 174.95 1sqv h ALA 7 N 1.54 -0.92 -0.85 6.62 0.00 -1.81 -1.80 119.26 122.03 1sqv h ALA 7 Ca 0.49 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1sqv h ALA 7 Cb 0.52 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1sqv h ALA 7 CO -0.28 -1.09 0.55 -0.09 0.00 0.00 0.00 179.25 178.35 1sqv h ARG 8 N -0.76 1.05 -0.46 0.00 2.43 -1.48 0.14 114.38 115.30 1sqv h ARG 8 Ca -0.00 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1sqv h ARG 8 Cb 0.75 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1sqv h ARG 8 CO -0.24 0.69 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.79 1sqv h LEU 9 N 1.08 -0.30 -0.12 3.80 4.07 -0.83 -2.99 115.31 120.02 1sqv h LEU 9 Ca 0.34 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.38 1sqv h LEU 9 Cb -0.01 0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1sqv h LEU 9 CO -0.11 -0.11 -0.09 0.22 -1.08 0.00 0.00 178.44 177.28 1sqv h TYR 10 N 0.06 0.32 -0.44 1.13 3.20 0.16 -1.72 116.97 119.68 1sqv h TYR 10 Ca 0.22 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.09 1sqv h TYR 10 Cb 0.34 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1sqv h TYR 10 CO -0.34 0.65 0.04 0.77 -1.64 0.00 0.00 178.16 177.64 1sqv h SER 11 N -0.09 -0.10 0.83 -2.11 0.02 -1.38 -1.07 113.55 109.64 1sqv h SER 11 Ca 0.02 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1sqv h SER 11 Cb 0.58 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1sqv h SER 11 CO 0.02 -0.02 -1.24 0.25 -1.14 0.00 0.00 176.83 174.70 1sqv h LEU 12 N 0.16 0.00 0.00 5.07 5.85 -1.39 -3.41 115.31 121.59 1sqv h LEU 12 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1sqv h LEU 12 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1sqv h LEU 12 CO -0.33 0.36 -0.15 0.18 -0.34 0.00 0.00 178.44 178.16 1sqv n LEU 13 N -2.81 0.00 -0.01 2.25 4.32 -0.66 -4.93 117.00 115.15 1sqv n LEU 13 Ca -0.06 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1sqv n LEU 13 Cb 0.73 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.47 1sqv n LEU 13 CO 0.42 0.00 -0.61 0.49 -1.22 0.00 0.00 177.39 176.46 1sqv n PHE 14 N -0.50 0.00 0.36 -1.77 3.72 -0.88 -0.81 117.46 117.59 1sqv n PHE 14 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1sqv n PHE 14 Cb 0.04 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.29 1sqv n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1sqv h ARG 15 N 0.00 -0.87 -6.36 -1.08 2.43 -1.44 -3.43 114.38 103.63 1sqv h ARG 15 Ca -0.03 0.06 -0.55 0.00 -0.81 0.00 0.00 59.98 58.65 1sqv h ARG 15 Cb 0.53 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1sqv h ARG 15 CO 0.00 -0.56 0.45 0.50 -1.51 0.00 0.00 179.97 178.85 1sqv s ARG 16 N -5.81 4.50 0.41 0.20 3.52 -1.26 -4.93 118.95 115.57 1sqv s ARG 16 Ca -0.17 1.43 0.29 0.00 -0.13 0.00 0.00 55.73 57.15 1sqv s ARG 16 Cb 0.03 -3.49 1.24 0.00 -1.56 0.00 0.00 34.95 31.18 1sqv s ARG 16 CO 0.60 -0.16 1.86 1.15 -0.81 0.00 0.00 175.30 177.94 1sqv h THR 17 N 4.89 0.00 0.47 4.11 2.02 -1.92 0.32 112.91 122.80 1sqv h THR 17 Ca -0.37 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1sqv h THR 17 Cb 1.19 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1sqv h THR 17 CO 0.79 0.00 -0.22 0.77 0.37 0.00 0.00 175.52 177.23 1sqv h SER 18 N 0.00 -0.53 -0.16 4.18 4.64 -1.94 -2.17 113.55 117.57 1sqv h SER 18 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1sqv h SER 18 Cb 0.39 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1sqv h SER 18 CO 0.00 -0.28 0.01 0.71 -0.87 0.00 0.00 176.83 176.39 1sqv h THR 19 N -0.82 1.16 0.10 2.95 1.35 -1.71 0.53 112.91 116.48 1sqv h THR 19 Ca -0.06 -0.61 0.02 0.00 -0.55 0.00 0.00 66.41 65.20 1sqv h THR 19 Cb 0.48 0.96 -0.05 0.00 -1.73 0.00 0.00 68.15 67.81 1sqv h THR 19 CO 0.10 0.21 -0.45 0.15 -0.25 0.00 0.00 175.52 175.29 1sqv h PHE 20 N 0.38 -1.26 -0.60 4.73 3.57 0.17 0.09 116.94 124.02 1sqv h PHE 20 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1sqv h PHE 20 Cb 0.25 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1sqv h PHE 20 CO 0.01 -0.54 0.16 0.00 -2.23 0.00 0.00 178.31 175.71 1sqv h ALA 21 N -0.24 1.16 -0.78 2.41 0.00 -0.32 -1.26 119.26 120.23 1sqv h ALA 21 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1sqv h ALA 21 Cb 0.70 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1sqv h ALA 21 CO -0.26 0.57 0.34 1.25 0.00 0.00 0.00 179.25 181.15 1sqv h LEU 22 N 0.88 1.06 -0.17 0.00 5.85 -0.01 -1.49 115.31 121.44 1sqv h LEU 22 Ca 0.19 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1sqv h LEU 22 Cb 0.29 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1sqv h LEU 22 CO -0.00 0.92 -0.01 0.74 -0.34 0.00 0.00 178.44 179.75 1sqv h THR 23 N 1.13 1.26 0.00 1.05 2.02 -0.19 0.16 112.91 118.35 1sqv h THR 23 Ca 0.27 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1sqv h THR 23 Cb 0.18 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1sqv h THR 23 CO -0.03 0.26 -0.11 0.16 0.37 0.00 0.00 175.52 176.18 1sqv h ILE 24 N 0.04 0.96 0.06 3.11 -0.00 -1.04 0.84 117.51 121.48 1sqv h ILE 24 Ca 0.05 -0.37 -0.20 0.00 -0.00 0.00 0.00 64.86 64.33 1sqv h ILE 24 Cb 0.40 1.21 -0.01 0.00 -0.00 0.00 0.00 36.82 38.42 1sqv h ILE 24 CO 0.01 0.10 -1.04 0.58 -0.00 0.00 0.00 178.15 177.80 1sqv h VAL 25 N 0.00 1.19 -0.80 0.16 2.07 -0.85 -1.83 116.25 116.19 1sqv h VAL 25 Ca -0.00 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 1sqv h VAL 25 Cb 0.20 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1sqv h VAL 25 CO 0.01 0.59 0.49 0.58 0.02 0.00 0.00 177.57 179.26 1sqv h VAL 26 N -0.62 1.22 0.00 2.57 2.07 -0.63 -2.63 116.25 118.23 1sqv h VAL 26 Ca -0.24 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1sqv h VAL 26 Cb 1.48 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1sqv h VAL 26 CO -0.01 0.23 -0.15 1.23 0.02 0.00 0.00 177.57 178.88 1sqv h GLY 27 N 1.10 0.00 1.31 2.17 0.00 0.64 -3.23 103.07 105.05 1sqv h GLY 27 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.32 1sqv h GLY 27 CO -0.06 0.00 -1.48 0.00 0.00 0.00 0.00 176.54 175.00 1sqv h ALA 28 N 1.85 0.26 -0.04 3.60 0.00 -0.96 -2.87 119.26 121.09 1sqv h ALA 28 Ca -0.00 -1.08 0.01 0.00 0.00 0.00 0.00 54.91 53.84 1sqv h ALA 28 Cb 0.52 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sqv h ALA 28 CO 0.02 1.12 0.00 1.25 0.00 0.00 0.00 179.25 181.65 1sqv h LEU 29 N 0.07 -0.01 -1.40 0.00 5.85 -1.55 -0.43 115.31 117.84 1sqv h LEU 29 Ca -0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1sqv h LEU 29 Cb 2.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 43.03 1sqv h LEU 29 CO 0.17 0.00 0.10 -0.26 -0.34 0.00 0.00 178.44 178.11 1sqv h PHE 30 N 0.02 0.50 -0.11 1.25 0.04 -1.68 -2.53 116.94 114.44 1sqv h PHE 30 Ca 0.02 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 1sqv h PHE 30 Cb 0.02 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 1sqv h PHE 30 CO -0.10 0.43 -0.69 0.35 -0.60 0.00 0.00 178.31 177.70 1sqv h PHE 31 N 0.50 0.62 -0.17 -0.55 3.57 -1.29 -2.92 116.94 116.70 1sqv h PHE 31 Ca 0.12 -0.26 -0.13 0.00 3.53 0.00 0.00 57.97 61.23 1sqv h PHE 31 Cb 0.17 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1sqv h PHE 31 CO 0.01 1.01 -0.46 1.49 -2.23 0.00 0.00 178.31 178.12 1sqv h GLU 32 N 0.33 0.42 0.47 1.11 4.81 -0.66 -1.59 114.58 119.47 1sqv h GLU 32 Ca -0.02 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1sqv h GLU 32 Cb 1.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1sqv h GLU 32 CO 0.12 0.80 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.89 1sqv h ARG 33 N 0.34 -0.61 0.00 1.92 9.65 -1.55 -2.53 114.38 121.60 1sqv h ARG 33 Ca 0.02 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.84 1sqv h ARG 33 Cb 0.95 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1sqv h ARG 33 CO 0.08 -0.38 -0.48 0.00 2.80 0.00 0.00 179.97 181.99 1sqv h ALA 34 N -0.19 1.14 0.02 2.80 0.00 -1.36 -0.25 119.26 121.42 1sqv h ALA 34 Ca -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1sqv h ALA 34 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sqv h ALA 34 CO 0.11 0.60 -0.01 0.35 0.00 0.00 0.00 179.25 180.30 1sqv h PHE 35 N 0.00 -0.03 0.00 0.00 3.57 -1.38 -1.33 116.94 117.77 1sqv h PHE 35 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sqv h PHE 35 Cb 0.89 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1sqv h PHE 35 CO 0.00 0.52 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.16 1sqv h ASP 36 N -0.98 0.00 0.00 0.41 3.32 -1.31 0.22 116.42 118.09 1sqv h ASP 36 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqv h ASP 36 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1sqv h ASP 36 CO 0.01 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 179.20 1sqv n GLN 37 N -3.10 0.00 -0.34 3.56 7.27 -0.12 -3.78 117.38 120.87 1sqv n GLN 37 Ca -0.02 0.07 0.05 0.00 0.07 0.00 0.00 57.00 57.17 1sqv n GLN 37 Cb 0.12 -0.73 0.13 0.00 2.41 0.00 0.00 30.24 32.17 1sqv n GLN 37 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1sqv h GLY 38 N 0.00 0.69 1.08 1.69 0.00 -1.12 -0.95 103.07 104.46 1sqv h GLY 38 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 1sqv h GLY 38 CO 0.00 -0.36 -0.79 0.00 0.00 0.00 0.00 176.54 175.39 1sqv h ALA 39 N 1.95 0.20 -0.84 3.60 0.00 -1.19 0.31 119.26 123.29 1sqv h ALA 39 Ca 0.46 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1sqv h ALA 39 Cb 0.70 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1sqv h ALA 39 CO -0.97 0.58 0.48 -0.44 0.00 0.00 0.00 179.25 178.90 1sqv h ASP 40 N 0.33 0.69 0.58 0.00 5.19 -1.49 -0.22 116.42 121.51 1sqv h ASP 40 Ca -0.08 0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.26 1sqv h ASP 40 Cb 1.44 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1sqv h ASP 40 CO 0.16 0.39 -0.57 0.00 -3.12 0.00 0.00 179.24 176.10 1sqv h ALA 41 N 1.46 1.05 -0.42 3.45 0.00 -0.58 0.28 119.26 124.51 1sqv h ALA 41 Ca 0.40 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1sqv h ALA 41 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sqv h ALA 41 CO -0.25 0.71 -0.19 0.82 0.00 0.00 0.00 179.25 180.34 1sqv h ILE 42 N 0.00 1.27 -0.01 0.00 1.08 -0.14 -2.45 117.51 117.27 1sqv h ILE 42 Ca -0.01 -1.30 -0.24 0.00 -0.39 0.00 0.00 64.86 62.92 1sqv h ILE 42 Cb 1.01 1.15 0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1sqv h ILE 42 CO 0.07 0.44 -0.97 0.22 -0.69 0.00 0.00 178.15 177.22 1sqv h TYR 43 N 0.71 0.80 -0.10 1.37 3.20 -0.48 -2.84 116.97 119.63 1sqv h TYR 43 Ca 0.10 -0.43 0.02 0.00 3.14 0.00 0.00 58.73 61.56 1sqv h TYR 43 Cb 0.70 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1sqv h TYR 43 CO 0.04 1.26 -0.29 0.93 -1.64 0.00 0.00 178.16 178.45 1sqv h GLU 44 N 0.31 -0.28 -0.16 1.82 5.08 -0.52 -3.29 114.58 117.54 1sqv h GLU 44 Ca -0.10 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1sqv h GLU 44 Cb 1.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1sqv h GLU 44 CO 0.18 -0.19 0.21 1.25 -1.00 0.00 0.00 179.01 179.47 1sqv h HIS 45 N -0.29 0.00 -0.01 4.33 2.76 -1.32 0.26 115.15 120.88 1sqv h HIS 45 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1sqv h HIS 45 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1sqv h HIS 45 CO -0.55 0.00 -0.04 1.51 -1.30 0.00 0.00 177.93 177.55 1sqv n ILE 46 N -3.62 0.00 0.00 6.26 0.00 -1.08 -4.37 119.36 116.55 1sqv n ILE 46 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 62.75 62.60 1sqv n ILE 46 Cb 0.33 0.20 0.00 0.00 0.00 0.00 0.00 39.64 40.16 1sqv n ILE 46 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1sqv n ASN 47 N -0.31 2.07 0.00 9.51 3.02 0.84 -5.05 115.26 125.34 1sqv n ASN 47 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1sqv n ASN 47 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1sqv n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sqv n GLU 48 N -2.50 0.00 0.00 3.52 1.02 -0.78 -2.80 120.64 119.09 1sqv n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sqv n GLU 48 Cb 0.40 -3.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.02 1sqv n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqv n GLY 49 N -2.00 0.00 0.12 0.62 0.00 -1.26 -4.97 105.19 97.69 1sqv n GLY 49 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1sqv n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqv h LYS 50 N 0.00 0.00 -6.58 1.61 1.57 -1.92 -3.47 116.57 107.78 1sqv h LYS 50 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1sqv h LYS 50 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.10 1sqv h LYS 50 CO 0.00 0.00 -0.80 -0.51 -0.57 0.00 0.00 179.45 177.57 1sqv s LEU 51 N -5.11 2.68 0.57 2.94 1.43 -1.26 -5.02 118.68 114.91 1sqv s LEU 51 Ca 0.04 -0.43 0.33 0.00 -1.03 0.00 0.00 54.13 53.04 1sqv s LEU 51 Cb 0.10 -1.55 1.81 0.00 0.03 0.00 0.00 46.19 46.58 1sqv s LEU 51 CO 0.74 0.24 2.01 -0.25 0.23 0.00 0.00 176.35 179.32 1sqv h TRP 52 N 4.38 0.00 0.00 0.29 2.91 -1.98 0.33 115.95 121.88 1sqv h TRP 52 Ca -0.48 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.50 1sqv h TRP 52 Cb 1.16 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 1sqv h TRP 52 CO 0.55 0.00 -0.21 -0.22 -1.03 0.00 0.00 178.44 177.53 1sqv h LYS 53 N 0.00 0.00 0.04 2.65 3.64 -2.00 -1.32 116.57 119.58 1sqv h LYS 53 Ca 0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1sqv h LYS 53 Cb 0.25 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1sqv h LYS 53 CO 0.00 0.21 -2.32 0.72 -2.27 0.00 0.00 179.45 175.79 1sqv n HIS 54 N -3.67 0.39 -0.25 1.91 -0.00 0.11 -4.40 115.22 109.31 1sqv n HIS 54 Ca -0.01 0.08 0.03 0.00 -0.00 0.00 0.00 57.72 57.82 1sqv n HIS 54 Cb 0.33 -1.05 0.26 0.00 -0.00 0.00 0.00 29.99 29.53 1sqv n HIS 54 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1sqv h ILE 55 N 0.02 1.11 -0.03 1.59 2.04 -1.53 -3.37 117.51 117.34 1sqv h ILE 55 Ca -0.53 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1sqv h ILE 55 Cb 1.96 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1sqv h ILE 55 CO -0.03 0.18 -0.00 1.17 0.00 0.00 0.00 178.15 179.47 1sqv n LYS 56 N -4.46 -0.00 0.18 2.37 4.81 -0.50 0.10 118.16 120.66 1sqv n LYS 56 Ca 0.11 0.05 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 1sqv n LYS 56 Cb 0.14 -0.07 0.61 0.00 0.02 0.00 0.00 35.03 35.72 1sqv n LYS 56 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1sqv h HIS 57 N 0.00 0.00 -0.01 5.64 2.07 -1.89 -3.28 115.15 117.68 1sqv h HIS 57 Ca 0.02 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1sqv h HIS 57 Cb 0.04 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.02 1sqv h HIS 57 CO -0.02 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 175.69 1sqv h LYS 58 N 0.00 0.04 -4.74 5.12 6.56 -0.66 -3.42 116.57 119.47 1sqv h LYS 58 Ca 0.00 -0.02 -0.68 0.00 -1.06 0.00 0.00 60.65 58.89 1sqv h LYS 58 Cb 0.23 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 31.54 1sqv h LYS 58 CO 0.00 0.55 -0.71 0.71 -2.06 0.00 0.00 179.45 177.94 1sqv s TYR 59 N -4.12 3.42 -0.02 -1.35 2.02 -1.24 -5.05 117.35 111.02 1sqv s TYR 59 Ca -0.16 -2.31 -0.04 0.00 -0.37 0.00 0.00 57.07 54.19 1sqv s TYR 59 Cb 0.02 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1sqv s TYR 59 CO 0.68 -0.88 0.37 1.49 -1.57 0.00 0.00 175.55 175.64 1sqv h GLU 60 N 7.87 -0.13 0.00 -0.62 4.22 -1.82 -3.49 114.58 120.61 1sqv h GLU 60 Ca -0.16 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1sqv h GLU 60 Cb 1.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1sqv h GLU 60 CO 0.54 -0.08 0.00 -1.71 -2.18 0.00 0.00 179.01 175.57