#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1j s GLN 4 N 0.00 4.38 0.48 -2.82 0.74 -1.26 -5.03 119.66 116.15 2r1j s GLN 4 Ca 0.00 1.88 -0.12 0.00 0.05 0.00 0.00 55.36 57.16 2r1j s GLN 4 Cb 0.00 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.70 2r1j s GLN 4 CO 0.00 -0.35 0.88 -0.51 -0.55 0.00 0.00 175.29 174.76 2r1j s LEU 5 N 1.26 3.66 0.25 3.68 1.43 -1.26 -4.98 118.68 122.72 2r1j s LEU 5 Ca 0.61 1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 54.97 2r1j s LEU 5 Cb -0.32 -4.24 0.35 0.00 0.03 0.00 0.00 46.19 42.01 2r1j s LEU 5 CO 0.29 -0.54 1.86 -0.03 0.23 0.00 0.00 176.35 178.16 2r1j h MET 6 N 0.84 1.00 -0.75 1.70 1.85 -1.83 -1.78 114.93 115.97 2r1j h MET 6 Ca -0.47 -0.06 0.15 0.00 -0.61 0.00 0.00 59.70 58.71 2r1j h MET 6 Cb 1.19 -0.23 -0.05 0.00 0.43 0.00 0.00 31.60 32.94 2r1j h MET 6 CO 0.63 0.66 0.50 0.78 -0.40 0.00 0.00 176.91 179.08 2r1j h GLY 7 N 1.04 0.69 1.29 1.39 0.00 -1.79 -0.05 103.07 105.64 2r1j h GLY 7 Ca 0.39 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 2r1j h GLY 7 CO -0.17 0.06 -0.47 0.83 0.00 0.00 0.00 176.54 176.79 2r1j h GLU 8 N 0.41 0.76 -0.08 4.80 5.08 -1.45 -1.71 114.58 122.39 2r1j h GLU 8 Ca 0.37 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2r1j h GLU 8 Cb 0.84 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2r1j h GLU 8 CO -0.12 1.07 -0.45 0.00 -1.00 0.00 0.00 179.01 178.51 2r1j h ARG 9 N 0.60 0.18 -0.04 2.33 3.08 -0.95 -1.36 114.38 118.23 2r1j h ARG 9 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2r1j h ARG 9 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2r1j h ARG 9 CO 0.10 0.60 -0.02 0.82 -1.07 0.00 0.00 179.97 180.40 2r1j h ILE 10 N 0.15 1.31 -0.23 2.04 2.04 -0.93 -2.09 117.51 119.80 2r1j h ILE 10 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2r1j h ILE 10 Cb 0.86 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2r1j h ILE 10 CO 0.07 0.26 0.06 -0.09 0.00 0.00 0.00 178.15 178.45 2r1j h ARG 11 N -0.28 0.36 -0.93 2.37 2.43 -1.23 -0.92 114.38 116.18 2r1j h ARG 11 Ca 0.01 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2r1j h ARG 11 Cb 0.42 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 2r1j h ARG 11 CO 0.01 0.46 0.60 0.00 -1.51 0.00 0.00 179.97 179.53 2r1j h ALA 12 N 0.89 1.25 -0.50 2.80 0.00 -1.29 -0.31 119.26 122.10 2r1j h ALA 12 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2r1j h ALA 12 Cb 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2r1j h ALA 12 CO -0.00 0.43 -0.05 -0.09 0.00 0.00 0.00 179.25 179.54 2r1j h ARG 13 N 1.14 0.88 -0.32 0.00 9.65 -1.10 -2.09 114.38 122.54 2r1j h ARG 13 Ca 0.38 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2r1j h ARG 13 Cb 0.06 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2r1j h ARG 13 CO -0.14 0.91 0.01 -0.09 2.80 0.00 0.00 179.97 183.46 2r1j h ARG 14 N 0.80 0.55 -0.92 0.20 2.43 -0.30 -2.77 114.38 114.38 2r1j h ARG 14 Ca 0.14 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2r1j h ARG 14 Cb 0.55 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 2r1j h ARG 14 CO 0.03 0.68 0.60 0.87 -1.51 0.00 0.00 179.97 180.63 2r1j h LYS 15 N 0.36 0.96 -0.77 0.20 1.79 -0.88 -1.62 116.57 116.62 2r1j h LYS 15 Ca 0.09 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2r1j h LYS 15 Cb 0.42 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 2r1j h LYS 15 CO 0.01 0.64 0.45 -0.22 -1.08 0.00 0.00 179.45 179.25 2r1j h LYS 16 N 0.99 1.05 0.00 3.15 1.63 -1.12 -1.91 116.57 120.36 2r1j h LYS 16 Ca 0.42 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2r1j h LYS 16 Cb 0.30 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2r1j h LYS 16 CO -0.17 0.75 0.00 1.28 -3.45 0.00 0.00 179.45 177.86 2r1j n LEU 17 N -4.48 0.00 -3.47 5.20 7.99 -0.68 -4.94 117.00 116.62 2r1j n LEU 17 Ca 0.07 0.41 -0.22 0.00 -0.01 0.00 0.00 56.01 56.26 2r1j n LEU 17 Cb 0.07 -0.41 0.05 0.00 -0.11 0.00 0.00 43.42 43.01 2r1j n LEU 17 CO 0.37 -0.06 0.00 0.29 -1.51 0.00 0.00 177.39 176.48 2r1j n LYS 18 N -1.41 -1.59 -4.01 3.23 5.02 -0.72 -5.03 118.16 113.66 2r1j n LYS 18 Ca 0.09 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 57.01 2r1j n LYS 18 Cb 0.25 -4.79 -0.11 0.00 -0.02 0.00 0.00 35.03 30.36 2r1j n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2r1j s ILE 19 N -3.36 0.18 0.83 -0.18 -4.36 -1.23 -5.08 121.20 108.00 2r1j s ILE 19 Ca 0.39 -1.08 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 2r1j s ILE 19 Cb -0.11 -0.50 0.09 0.00 1.25 0.00 0.00 42.46 43.19 2r1j s ILE 19 CO 0.81 -0.57 1.11 0.00 0.24 0.00 0.00 174.94 176.54 2r1j s ARG 20 N -1.87 1.85 0.22 0.37 1.70 -1.26 -4.75 118.95 115.21 2r1j s ARG 20 Ca -0.12 0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 55.56 2r1j s ARG 20 Cb -0.07 -1.90 0.18 0.00 -0.57 0.00 0.00 34.95 32.59 2r1j s ARG 20 CO -0.02 -1.75 1.83 1.96 -1.08 0.00 0.00 175.30 176.24 2r1j h GLN 21 N -1.18 1.21 -0.57 3.89 4.20 -2.00 -1.95 115.11 118.71 2r1j h GLN 21 Ca -0.48 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 2r1j h GLN 21 Cb 1.29 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 2r1j h GLN 21 CO 0.61 0.91 0.31 0.00 -0.67 0.00 0.00 178.83 179.98 2r1j h ALA 22 N 1.23 1.47 -0.35 3.87 0.00 -1.93 0.86 119.26 124.42 2r1j h ALA 22 Ca 0.30 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2r1j h ALA 22 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2r1j h ALA 22 CO -0.04 0.44 -0.44 0.00 0.00 0.00 0.00 179.25 179.21 2r1j h ALA 23 N 1.55 0.52 -0.55 0.00 0.00 -1.75 -1.61 119.26 117.41 2r1j h ALA 23 Ca 0.20 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2r1j h ALA 23 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2r1j h ALA 23 CO -0.03 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.13 2r1j h LEU 24 N 0.72 0.96 -0.75 0.00 5.85 -0.94 -2.44 115.31 118.71 2r1j h LEU 24 Ca 0.04 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2r1j h LEU 24 Cb 1.04 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2r1j h LEU 24 CO 0.10 1.04 0.44 1.23 -0.34 0.00 0.00 178.44 180.91 2r1j h GLY 25 N 0.86 1.13 1.03 3.75 0.00 -0.66 -0.62 103.07 108.56 2r1j h GLY 25 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2r1j h GLY 25 CO 0.03 0.19 0.49 1.70 0.00 0.00 0.00 176.54 178.95 2r1j h LYS 26 N 0.80 1.26 -0.59 4.80 1.63 -1.07 0.59 116.57 123.99 2r1j h LYS 26 Ca 0.34 -0.15 -0.08 0.00 -0.85 0.00 0.00 60.65 59.91 2r1j h LYS 26 Cb 0.20 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2r1j h LYS 26 CO -0.19 0.92 0.05 0.52 -3.45 0.00 0.00 179.45 177.30 2r1j h MET 27 N 1.26 0.99 0.02 1.90 2.86 -0.81 -3.23 114.93 117.92 2r1j h MET 27 Ca 0.32 -0.27 -0.26 0.00 -2.06 0.00 0.00 59.70 57.42 2r1j h MET 27 Cb 0.04 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2r1j h MET 27 CO -0.05 0.94 -1.37 0.28 1.06 0.00 0.00 176.91 177.77 2r1j h VAL 28 N 0.92 1.27 0.00 -2.22 2.07 -0.71 -3.48 116.25 114.09 2r1j h VAL 28 Ca 0.18 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.67 2r1j h VAL 28 Cb 0.47 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2r1j h VAL 28 CO 0.02 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2r1j n GLY 29 N 1.49 1.87 3.36 2.17 0.00 0.19 -4.89 105.19 109.38 2r1j n GLY 29 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2r1j n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r1j s VAL 30 N -2.00 0.44 0.75 1.61 -7.23 -0.47 -5.03 120.40 108.47 2r1j s VAL 30 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2r1j s VAL 30 Cb 0.00 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2r1j s VAL 30 CO 0.00 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 174.95 2r1j s SER 31 N -3.39 5.00 0.37 4.85 1.04 -1.26 -3.94 113.70 116.36 2r1j s SER 31 Ca 0.35 1.23 0.09 0.00 0.48 0.00 0.00 55.95 58.10 2r1j s SER 31 Cb 0.05 -2.00 0.71 0.00 0.10 0.00 0.00 66.02 64.89 2r1j s SER 31 CO 0.16 -1.64 1.86 -0.55 0.98 0.00 0.00 173.24 174.06 2r1j h ASN 32 N -0.86 0.21 -0.85 7.02 -1.07 -1.87 -2.39 115.58 115.78 2r1j h ASN 32 Ca -0.46 -0.05 -0.03 0.00 0.07 0.00 0.00 56.30 55.83 2r1j h ASN 32 Cb 1.26 -0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 37.42 2r1j h ASN 32 CO 0.61 0.43 0.41 0.58 0.07 0.00 0.00 177.43 179.53 2r1j h VAL 33 N 0.20 1.26 -0.88 6.14 2.07 -1.93 -1.33 116.25 121.78 2r1j h VAL 33 Ca 0.03 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2r1j h VAL 33 Cb 0.49 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2r1j h VAL 33 CO 0.03 0.31 0.56 0.00 0.02 0.00 0.00 177.57 178.49 2r1j h ALA 34 N 1.22 1.11 -0.55 1.67 0.00 -1.80 0.91 119.26 121.82 2r1j h ALA 34 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2r1j h ALA 34 Cb 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2r1j h ALA 34 CO -0.04 0.55 0.31 0.82 0.00 0.00 0.00 179.25 180.89 2r1j h ILE 35 N 1.20 1.18 -1.01 0.00 1.08 -1.21 -1.04 117.51 117.71 2r1j h ILE 35 Ca 0.32 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 2r1j h ILE 35 Cb -0.09 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 2r1j h ILE 35 CO -0.06 0.19 0.66 -1.28 -0.69 0.00 0.00 178.15 176.97 2r1j h SER 36 N 0.73 1.12 -0.47 1.72 0.87 -0.47 -0.51 113.55 116.55 2r1j h SER 36 Ca 0.19 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2r1j h SER 36 Cb 0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2r1j h SER 36 CO -0.03 0.78 -0.15 1.56 -0.53 0.00 0.00 176.83 178.46 2r1j h GLN 37 N 1.31 0.92 -0.53 2.24 4.20 -0.28 -2.17 115.11 120.81 2r1j h GLN 37 Ca 0.39 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2r1j h GLN 37 Cb -0.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2r1j h GLN 37 CO -0.11 1.03 0.04 -1.49 -0.67 0.00 0.00 178.83 177.63 2r1j h TRP 38 N 0.77 0.97 -0.27 2.96 6.55 -0.78 0.82 115.95 126.97 2r1j h TRP 38 Ca 0.11 -0.15 -0.07 0.00 0.95 0.00 0.00 58.89 59.73 2r1j h TRP 38 Cb 0.71 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 2r1j h TRP 38 CO 0.05 0.88 -0.13 0.93 -1.05 0.00 0.00 178.44 179.12 2r1j h GLU 39 N 0.78 0.47 -0.22 0.49 5.08 -0.95 -2.21 114.58 118.01 2r1j h GLU 39 Ca 0.15 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2r1j h GLU 39 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2r1j h GLU 39 CO 0.02 0.60 0.00 0.54 -1.00 0.00 0.00 179.01 179.17 2r1j n ARG 40 N -4.20 1.84 -2.03 2.33 1.74 -0.83 -3.99 116.66 111.52 2r1j n ARG 40 Ca 0.00 -1.28 -0.17 0.00 -0.77 0.00 0.00 57.85 55.63 2r1j n ARG 40 Cb 0.32 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 2r1j n ARG 40 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2r1j n SER 41 N 0.50 -5.12 0.12 0.55 7.64 -0.83 -4.87 113.62 111.61 2r1j n SER 41 Ca 0.16 0.15 -0.03 0.00 1.01 0.00 0.00 58.87 60.16 2r1j n SER 41 Cb 0.36 -4.19 0.13 0.00 -1.01 0.00 0.00 64.21 59.50 2r1j n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2r1j h GLU 42 N 0.00 0.07 -3.61 1.43 4.81 -1.10 -3.46 114.58 112.71 2r1j h GLU 42 Ca -0.39 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 2r1j h GLU 42 Cb 1.25 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 2r1j h GLU 42 CO 0.50 0.70 -0.03 0.95 -0.73 0.00 0.00 179.01 180.40 2r1j s THR 43 N -3.55 0.00 0.09 0.32 -4.23 -1.17 -5.02 115.64 102.08 2r1j s THR 43 Ca -0.02 -1.35 0.08 0.00 -1.18 0.00 0.00 61.69 59.23 2r1j s THR 43 Cb 0.12 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 2r1j s THR 43 CO 0.78 0.00 -0.22 -1.61 -0.54 0.00 0.00 174.62 173.03 2r1j s GLU 44 N -3.37 1.22 0.50 3.99 2.02 -1.26 -4.16 118.70 117.63 2r1j s GLU 44 Ca 0.23 -1.14 -0.22 0.00 0.02 0.00 0.00 54.97 53.85 2r1j s GLU 44 Cb -0.02 -1.48 -0.06 0.00 0.10 0.00 0.00 34.13 32.67 2r1j s GLU 44 CO 0.13 0.35 1.24 -1.25 0.02 0.00 0.00 175.26 175.75 2r1j s PRO 45 N -1.78 3.48 0.75 0.39 0.04 -1.26 -5.02 135.00 131.60 2r1j s PRO 45 Ca 0.08 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2r1j s PRO 45 Cb -0.10 -2.33 0.18 0.00 0.04 0.00 0.00 34.50 32.30 2r1j s PRO 45 CO 0.04 -0.83 0.86 0.27 0.04 0.00 0.00 177.00 177.38 2r1j n ASN 46 N -0.75 -0.66 0.21 6.66 0.23 -1.26 -4.57 115.26 115.11 2r1j n ASN 46 Ca 0.09 -1.19 -0.15 0.00 -0.53 0.00 0.00 54.58 52.80 2r1j n ASN 46 Cb 0.47 -0.71 -0.07 0.00 -2.08 0.00 0.00 39.78 37.39 2r1j n ASN 46 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2r1j h GLY 47 N -1.55 -0.64 1.02 4.83 0.00 -1.99 0.15 103.07 104.89 2r1j h GLY 47 Ca -0.30 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2r1j h GLY 47 CO 0.20 -0.25 0.31 -2.09 0.00 0.00 0.00 176.54 174.71 2r1j h GLU 48 N -0.60 1.06 -0.22 4.80 4.81 -2.00 -2.61 114.58 119.81 2r1j h GLU 48 Ca -0.02 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 2r1j h GLU 48 Cb 0.54 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2r1j h GLU 48 CO -0.02 0.86 -0.46 -0.91 -0.73 0.00 0.00 179.01 177.75 2r1j h ASN 49 N 1.02 0.61 -0.58 1.04 2.35 -1.87 -1.72 115.58 116.44 2r1j h ASN 49 Ca 0.24 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2r1j h ASN 49 Cb 0.18 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2r1j h ASN 49 CO -0.02 0.98 0.19 0.25 -1.65 0.00 0.00 177.43 177.17 2r1j h LEU 50 N 0.46 0.84 -0.44 1.61 5.85 -0.54 0.59 115.31 123.69 2r1j h LEU 50 Ca 0.03 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2r1j h LEU 50 Cb 0.98 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2r1j h LEU 50 CO 0.09 0.82 0.13 -0.07 -0.34 0.00 0.00 178.44 179.07 2r1j h LEU 51 N 0.82 0.64 -1.14 2.25 -0.00 -1.30 -0.45 115.31 116.13 2r1j h LEU 51 Ca 0.19 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 2r1j h LEU 51 Cb 0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2r1j h LEU 51 CO -0.01 0.69 -0.02 0.00 -0.00 0.00 0.00 178.44 179.10 2r1j h ALA 52 N 0.98 1.29 -0.35 1.53 0.00 -1.09 -2.30 119.26 119.32 2r1j h ALA 52 Ca 0.14 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2r1j h ALA 52 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2r1j h ALA 52 CO -0.00 0.48 -0.03 1.25 0.00 0.00 0.00 179.25 180.95 2r1j h LEU 53 N 0.55 0.63 -1.08 0.00 5.85 -0.57 -1.50 115.31 119.20 2r1j h LEU 53 Ca 0.11 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2r1j h LEU 53 Cb 0.38 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2r1j h LEU 53 CO 0.01 0.81 0.56 0.77 -0.34 0.00 0.00 178.44 180.25 2r1j h SER 54 N 0.44 1.04 -0.16 1.25 4.64 -0.74 -0.23 113.55 119.79 2r1j h SER 54 Ca 0.10 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2r1j h SER 54 Cb 0.50 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2r1j h SER 54 CO 0.02 0.78 -0.07 0.11 -0.87 0.00 0.00 176.83 176.80 2r1j h LYS 55 N 1.21 0.34 -0.56 4.77 1.57 -1.25 -0.61 116.57 122.04 2r1j h LYS 55 Ca 0.32 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2r1j h LYS 55 Cb -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2r1j h LYS 55 CO -0.06 0.65 0.37 0.00 -0.57 0.00 0.00 179.45 179.83 2r1j h ALA 56 N 0.68 1.65 -0.12 3.86 0.00 -0.84 -1.76 119.26 122.74 2r1j h ALA 56 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r1j h ALA 56 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2r1j h ALA 56 CO 0.02 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2r1j n LEU 57 N -4.46 1.97 -3.54 0.00 4.77 -0.14 -4.97 117.00 110.64 2r1j n LEU 57 Ca 0.06 -0.75 -0.21 0.00 -0.03 0.00 0.00 56.01 55.08 2r1j n LEU 57 Cb 0.09 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2r1j n LEU 57 CO 0.35 0.37 0.17 0.00 -1.33 0.00 0.00 177.39 176.95 2r1j n GLN 58 N 0.52 -7.17 -4.09 3.23 6.02 -0.53 -5.00 117.38 110.37 2r1j n GLN 58 Ca 0.17 0.82 -0.15 0.00 -0.01 0.00 0.00 57.00 57.83 2r1j n GLN 58 Cb 0.40 -5.84 -0.04 0.00 1.02 0.00 0.00 30.24 25.79 2r1j n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2r1j s SER 60 N -3.26 6.42 0.32 0.00 1.04 -1.26 -4.33 113.70 112.63 2r1j s SER 60 Ca 0.31 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.57 2r1j s SER 60 Cb -0.01 -2.19 0.55 0.00 0.10 0.00 0.00 66.02 64.48 2r1j s SER 60 CO 0.22 -0.30 1.90 -0.65 0.98 0.00 0.00 173.24 175.38 2r1j h PRO 61 N 1.30 0.70 -0.92 4.02 0.11 -1.91 -2.37 132.00 132.93 2r1j h PRO 61 Ca -0.48 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 65.53 2r1j h PRO 61 Cb 1.19 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2r1j h PRO 61 CO 0.64 0.61 0.60 -0.44 -0.21 0.00 0.00 178.00 179.21 2r1j h ASP 62 N 0.69 1.06 -0.36 -2.05 3.32 -1.97 -0.27 116.42 116.84 2r1j h ASP 62 Ca 0.16 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2r1j h ASP 62 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2r1j h ASP 62 CO -0.01 0.77 0.16 0.22 -1.72 0.00 0.00 179.24 178.66 2r1j h TYR 63 N 1.25 0.52 -0.26 4.55 3.20 -1.66 -0.69 116.97 123.87 2r1j h TYR 63 Ca 0.34 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2r1j h TYR 63 Cb -0.14 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2r1j h TYR 63 CO -0.01 0.46 0.14 -0.07 -1.64 0.00 0.00 178.16 177.04 2r1j h LEU 64 N 0.43 0.33 -0.17 2.82 3.38 -1.27 0.32 115.31 121.15 2r1j h LEU 64 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2r1j h LEU 64 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2r1j h LEU 64 CO -0.01 0.33 0.05 -0.07 0.09 0.00 0.00 178.44 178.83 2r1j h LEU 65 N 0.30 0.25 0.00 1.67 3.38 -0.90 -3.39 115.31 116.62 2r1j h LEU 65 Ca 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2r1j h LEU 65 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2r1j h LEU 65 CO -0.01 0.40 -0.09 0.29 0.09 0.00 0.00 178.44 179.12 2r1j n LYS 66 N -4.82 5.00 0.00 1.13 5.02 -0.28 -4.67 118.16 119.54 2r1j n LYS 66 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2r1j n LYS 66 Cb 0.15 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 2r1j n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r1j n GLY 67 N 0.91 1.09 0.04 0.72 0.00 0.11 -5.02 105.19 103.05 2r1j n GLY 67 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2r1j n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54