#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpr n THR 2 N 0.00 0.00 -0.01 2.03 -1.04 -1.26 -4.87 114.28 109.13 1rpr n THR 2 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1rpr n THR 2 Cb 0.00 -1.62 -0.14 0.00 -1.82 0.00 0.00 70.33 66.75 1rpr n THR 2 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1rpr n LYS 3 N -0.11 0.68 -0.13 -2.82 5.02 -1.26 -3.91 118.16 115.63 1rpr n LYS 3 Ca 0.00 0.29 -0.04 0.00 -2.02 0.00 0.00 58.31 56.54 1rpr n LYS 3 Cb 0.00 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.27 1rpr n LYS 3 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1rpr h GLN 4 N 0.02 0.09 -0.30 1.97 -0.00 -1.99 0.17 115.11 115.07 1rpr h GLN 4 Ca -0.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.27 1rpr h GLN 4 Cb 2.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 29.46 1rpr h GLN 4 CO 0.08 0.06 -0.00 0.93 -0.00 0.00 0.00 178.83 179.90 1rpr h GLU 5 N 0.09 0.46 0.00 0.06 3.07 -1.96 0.12 114.58 116.42 1rpr h GLU 5 Ca 0.21 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1rpr h GLU 5 Cb 0.30 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1rpr h GLU 5 CO -0.36 0.49 -0.32 0.87 -1.40 0.00 0.00 179.01 178.30 1rpr h LYS 6 N 0.44 0.00 -0.03 2.33 1.57 -0.91 0.87 116.57 120.84 1rpr h LYS 6 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1rpr h LYS 6 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1rpr h LYS 6 CO 0.01 0.32 -0.48 1.15 -0.57 0.00 0.00 179.45 179.87 1rpr h THR 7 N 0.00 1.35 -0.30 -0.16 2.02 0.17 0.34 112.91 116.34 1rpr h THR 7 Ca -0.00 -1.68 -0.07 0.00 0.77 0.00 0.00 66.41 65.43 1rpr h THR 7 Cb 0.57 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1rpr h THR 7 CO 0.04 0.48 -0.12 0.00 0.37 0.00 0.00 175.52 176.30 1rpr h ALA 8 N 1.46 1.24 0.00 6.16 0.00 0.26 0.19 119.26 128.57 1rpr h ALA 8 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1rpr h ALA 8 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1rpr h ALA 8 CO 0.07 0.50 -0.44 1.25 0.00 0.00 0.00 179.25 180.62 1rpr h LEU 9 N 0.47 0.00 -2.49 0.00 5.85 0.46 -1.54 115.31 118.06 1rpr h LEU 9 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1rpr h LEU 9 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1rpr h LEU 9 CO 0.03 0.44 -0.02 0.78 -0.34 0.00 0.00 178.44 179.32 1rpr h ASN 10 N 0.00 0.00 -0.41 1.25 -0.26 0.28 0.31 115.58 116.74 1rpr h ASN 10 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 1rpr h ASN 10 Cb 0.83 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1rpr h ASN 10 CO 0.06 0.02 -0.21 0.24 -1.06 0.00 0.00 177.43 176.48 1rpr h MET 11 N 0.00 0.91 -0.19 0.81 2.86 -0.93 -0.03 114.93 118.37 1rpr h MET 11 Ca -0.00 -0.38 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1rpr h MET 11 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1rpr h MET 11 CO 0.00 1.03 -0.11 0.00 1.06 0.00 0.00 176.91 178.90 1rpr h ALA 12 N 0.96 1.47 -0.68 6.32 0.00 -0.48 0.25 119.26 127.09 1rpr h ALA 12 Ca 0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1rpr h ALA 12 Cb 0.77 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1rpr h ALA 12 CO 0.06 0.37 0.18 -0.09 0.00 0.00 0.00 179.25 179.78 1rpr h ARG 13 N 0.29 1.08 -0.77 0.00 2.43 -0.11 -1.64 114.38 115.67 1rpr h ARG 13 Ca 0.06 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1rpr h ARG 13 Cb 0.37 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1rpr h ARG 13 CO 0.02 0.96 0.46 0.35 -1.51 0.00 0.00 179.97 180.24 1rpr h PHE 14 N 1.02 1.01 -0.55 2.20 3.57 0.80 0.73 116.94 125.72 1rpr h PHE 14 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1rpr h PHE 14 Cb 0.35 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1rpr h PHE 14 CO 0.03 0.68 0.27 0.82 -2.23 0.00 0.00 178.31 177.87 1rpr h ILE 15 N 1.06 0.93 -0.97 1.41 2.04 -0.34 0.12 117.51 121.75 1rpr h ILE 15 Ca 0.28 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1rpr h ILE 15 Cb -0.03 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1rpr h ILE 15 CO -0.05 0.09 0.64 -0.09 0.00 0.00 0.00 178.15 178.74 1rpr h ARG 16 N 0.51 1.20 -0.48 2.37 2.43 -0.15 -0.30 114.38 119.96 1rpr h ARG 16 Ca 0.25 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1rpr h ARG 16 Cb 0.18 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1rpr h ARG 16 CO -0.19 0.79 0.29 0.77 -1.51 0.00 0.00 179.97 180.12 1rpr h SER 17 N 1.24 0.58 -0.57 -3.80 0.02 0.79 -0.23 113.55 111.57 1rpr h SER 17 Ca 0.38 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1rpr h SER 17 Cb -0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1rpr h SER 17 CO -0.11 0.47 0.22 1.56 -1.14 0.00 0.00 176.83 177.83 1rpr h GLN 18 N 0.64 0.85 -0.52 3.45 4.20 -0.25 -0.71 115.11 122.77 1rpr h GLN 18 Ca 0.17 -0.16 0.10 0.00 0.06 0.00 0.00 58.65 58.83 1rpr h GLN 18 Cb -0.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1rpr h GLN 18 CO -0.03 0.74 0.35 1.15 -0.67 0.00 0.00 178.83 180.37 1rpr h THR 19 N 0.78 0.87 -0.26 -0.54 2.02 -0.38 0.81 112.91 116.21 1rpr h THR 19 Ca 0.19 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1rpr h THR 19 Cb 0.21 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1rpr h THR 19 CO -0.01 0.05 0.03 0.25 0.37 0.00 0.00 175.52 176.21 1rpr h LEU 20 N 0.26 0.43 -0.78 2.58 5.85 0.46 0.30 115.31 124.42 1rpr h LEU 20 Ca 0.24 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1rpr h LEU 20 Cb 0.60 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1rpr h LEU 20 CO -0.05 0.59 0.41 0.74 -0.34 0.00 0.00 178.44 179.79 1rpr h THR 21 N 0.25 0.84 0.00 1.05 2.02 -0.42 0.19 112.91 116.84 1rpr h THR 21 Ca 0.08 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 1rpr h THR 21 Cb 0.35 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1rpr h THR 21 CO 0.01 0.12 -0.54 -0.07 0.37 0.00 0.00 175.52 175.41 1rpr h LEU 22 N 0.67 0.00 0.40 2.58 -0.00 -0.72 -0.98 115.31 117.27 1rpr h LEU 22 Ca 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.25 1rpr h LEU 22 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1rpr h LEU 22 CO -0.28 0.54 -0.19 0.25 -0.00 0.00 0.00 178.44 178.76 1rpr h LEU 23 N 0.00 -0.46 0.75 1.67 5.85 0.26 0.11 115.31 123.48 1rpr h LEU 23 Ca -0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1rpr h LEU 23 Cb 1.06 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.22 1rpr h LEU 23 CO 0.07 -0.30 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.43 1rpr h GLU 24 N -0.57 -0.97 -0.69 1.25 4.81 -1.13 -1.36 114.58 115.91 1rpr h GLU 24 Ca -0.06 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1rpr h GLU 24 Cb 0.43 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1rpr h GLU 24 CO 0.09 -0.62 0.46 0.87 -0.73 0.00 0.00 179.01 179.08 1rpr h LYS 25 N -1.14 0.79 -0.32 1.92 6.56 -1.18 0.29 116.57 123.49 1rpr h LYS 25 Ca -0.10 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.37 1rpr h LYS 25 Cb 0.79 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1rpr h LYS 25 CO 0.17 0.52 -0.11 -0.07 -2.06 0.00 0.00 179.45 177.90 1rpr h LEU 26 N 0.81 0.52 -0.95 2.94 3.38 -0.71 -1.05 115.31 120.25 1rpr h LEU 26 Ca 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1rpr h LEU 26 Cb 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1rpr h LEU 26 CO -0.08 0.66 0.55 -1.13 0.09 0.00 0.00 178.44 178.54 1rpr h ASN 27 N 0.50 1.14 0.40 -0.43 -0.73 0.67 0.18 115.58 117.30 1rpr h ASN 27 Ca 0.09 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 1rpr h ASN 27 Cb 0.48 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 1rpr h ASN 27 CO 0.03 0.88 -0.21 -0.33 -0.37 0.00 0.00 177.43 177.43 1rpr h GLU 28 N 1.30 0.00 -0.84 6.67 5.08 0.23 -0.60 114.58 126.42 1rpr h GLU 28 Ca 0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1rpr h GLU 28 Cb -0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1rpr h GLU 28 CO -0.06 0.21 0.08 1.28 -1.00 0.00 0.00 179.01 179.52 1rpr n LEU 29 N -3.83 3.76 -1.57 1.33 4.77 -0.06 -4.81 117.00 116.59 1rpr n LEU 29 Ca -0.02 -1.92 -0.13 0.00 -0.03 0.00 0.00 56.01 53.91 1rpr n LEU 29 Cb 0.30 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1rpr n LEU 29 CO 0.34 0.52 -0.13 0.47 -1.33 0.00 0.00 177.39 177.26 1rpr n ASP 30 N 0.16 -3.46 -3.42 -1.43 9.92 -0.23 -4.78 116.55 113.31 1rpr n ASP 30 Ca 0.18 0.29 -0.40 0.00 -0.53 0.00 0.00 54.79 54.33 1rpr n ASP 30 Cb 0.82 -3.19 0.02 0.00 -0.64 0.00 0.00 41.12 38.12 1rpr n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rpr n ALA 31 N -0.06 6.29 0.27 2.24 0.00 0.42 -4.66 120.51 125.01 1rpr n ALA 31 Ca -0.13 -4.36 0.15 0.00 0.00 0.00 0.00 53.44 49.10 1rpr n ALA 31 Cb 0.45 -2.23 0.72 0.00 0.00 0.00 0.00 19.45 18.39 1rpr n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rpr h ASP 32 N 3.97 0.00 0.72 0.00 5.19 -1.85 0.03 116.42 124.48 1rpr h ASP 32 Ca 0.56 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.82 1rpr h ASP 32 Cb 0.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1rpr h ASP 32 CO 1.26 0.10 -0.73 1.05 -3.12 0.00 0.00 179.24 177.79 1rpr h GLU 33 N 0.00 0.01 0.00 3.56 -0.00 -1.94 0.38 114.58 116.59 1rpr h GLU 33 Ca -0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.36 59.20 1rpr h GLU 33 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 1rpr h GLU 33 CO 0.01 0.74 -0.70 1.96 -0.00 0.00 0.00 179.01 181.02 1rpr h GLN 34 N 0.01 0.00 -0.09 1.06 1.08 -1.68 -1.92 115.11 113.57 1rpr h GLN 34 Ca -0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 1rpr h GLN 34 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1rpr h GLN 34 CO 0.10 0.70 -0.40 0.00 -0.95 0.00 0.00 178.83 178.28 1rpr h ALA 35 N 1.30 1.16 0.76 3.87 0.00 -0.12 0.24 119.26 126.46 1rpr h ALA 35 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1rpr h ALA 35 Cb 1.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1rpr h ALA 35 CO 0.09 0.57 -0.36 0.22 0.00 0.00 0.00 179.25 179.77 1rpr h ASP 36 N 0.16 -0.86 -0.41 0.00 3.58 0.46 0.41 116.42 119.76 1rpr h ASP 36 Ca 0.02 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.51 1rpr h ASP 36 Cb 0.78 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1rpr h ASP 36 CO 0.06 -0.54 0.27 0.40 -2.88 0.00 0.00 179.24 176.55 1rpr h ILE 37 N -1.14 1.03 0.00 2.25 2.04 -1.29 0.22 117.51 120.61 1rpr h ILE 37 Ca -0.10 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1rpr h ILE 37 Cb 0.80 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1rpr h ILE 37 CO 0.17 0.08 -0.34 0.00 0.00 0.00 0.00 178.15 178.06 1rpr h GLU 39 N 0.00 0.01 -0.81 0.00 4.22 0.29 0.23 114.58 118.52 1rpr h GLU 39 Ca -0.00 -0.01 0.22 0.00 0.08 0.00 0.00 59.36 59.64 1rpr h GLU 39 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1rpr h GLU 39 CO 0.04 0.79 0.57 0.77 -2.18 0.00 0.00 179.01 179.00 1rpr h SER 40 N -0.77 0.13 -0.00 1.04 0.02 -0.69 0.71 113.55 113.99 1rpr h SER 40 Ca -0.00 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1rpr h SER 40 Cb 0.79 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1rpr h SER 40 CO 0.00 0.05 -0.63 0.25 -1.14 0.00 0.00 176.83 175.37 1rpr h LEU 41 N 0.13 0.56 -0.37 5.07 6.46 -0.57 -0.10 115.31 126.49 1rpr h LEU 41 Ca 0.40 -0.76 0.08 0.00 -0.12 0.00 0.00 57.88 57.48 1rpr h LEU 41 Cb 1.37 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 41.04 1rpr h LEU 41 CO -0.06 1.24 -0.32 -0.74 -0.62 0.00 0.00 178.44 177.94 1rpr h HIS 42 N -0.07 -0.89 0.00 1.25 2.76 0.38 -0.31 115.15 118.27 1rpr h HIS 42 Ca -0.08 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1rpr h HIS 42 Cb 1.33 0.45 0.00 0.00 1.55 0.00 0.00 27.41 30.74 1rpr h HIS 42 CO 0.14 -0.38 -1.15 -3.47 -1.30 0.00 0.00 177.93 171.77 1rpr n ASP 43 N -5.41 0.71 -0.04 3.26 2.03 -0.08 -2.78 116.55 114.23 1rpr n ASP 43 Ca 0.01 0.25 -0.11 0.00 0.52 0.00 0.00 54.79 55.46 1rpr n ASP 43 Cb 0.33 0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 41.37 1rpr n ASP 43 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1rpr h HIS 44 N 0.00 0.23 -0.02 -0.67 2.76 -0.52 0.47 115.15 117.39 1rpr h HIS 44 Ca 0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1rpr h HIS 44 Cb 0.98 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 1rpr h HIS 44 CO 0.00 0.31 -0.11 0.00 -1.30 0.00 0.00 177.93 176.83 1rpr h ALA 45 N 0.89 1.77 0.00 5.26 0.00 -1.19 0.18 119.26 126.17 1rpr h ALA 45 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1rpr h ALA 45 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rpr h ALA 45 CO -0.00 0.18 -0.44 0.22 0.00 0.00 0.00 179.25 179.20 1rpr h ASP 46 N 0.04 0.00 -0.58 0.00 3.58 -0.78 -0.42 116.42 118.26 1rpr h ASP 46 Ca 0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 1rpr h ASP 46 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1rpr h ASP 46 CO 0.02 0.44 0.12 -0.08 -2.88 0.00 0.00 179.24 176.86 1rpr h GLU 47 N 0.00 0.94 0.00 0.28 4.57 0.19 0.69 114.58 121.25 1rpr h GLU 47 Ca -0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 1rpr h GLU 47 Cb 0.88 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1rpr h GLU 47 CO 0.06 0.88 -0.13 1.25 -1.18 0.00 0.00 179.01 179.89 1rpr h LEU 48 N 0.84 0.00 0.00 1.64 5.85 -1.00 -3.17 115.31 119.47 1rpr h LEU 48 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1rpr h LEU 48 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1rpr h LEU 48 CO 0.01 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1rpr n TYR 49 N -3.62 0.00 0.00 1.25 9.36 0.42 -4.38 117.16 120.19 1rpr n TYR 49 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1rpr n TYR 49 Cb 0.25 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 1rpr n TYR 49 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1rpr n ARG 50 N 0.00 0.00 -0.13 2.98 0.63 0.21 0.12 116.66 120.47 1rpr n ARG 50 Ca 0.00 0.29 -0.09 0.00 -0.92 0.00 0.00 57.85 57.13 1rpr n ARG 50 Cb 0.00 -0.49 -0.03 0.00 0.45 0.00 0.00 32.46 32.40 1rpr n ARG 50 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1rpr h SER 51 N 0.00 -1.28 0.33 6.15 0.02 -1.66 0.46 113.55 117.57 1rpr h SER 51 Ca 0.00 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1rpr h SER 51 Cb 0.00 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1rpr h SER 51 CO 0.00 -0.34 -0.21 0.00 -1.14 0.00 0.00 176.83 175.13 1rpr h LEU 53 N 0.00 0.00 -0.13 0.00 5.85 0.57 0.71 115.31 122.31 1rpr h LEU 53 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1rpr h LEU 53 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1rpr h LEU 53 CO 0.03 0.07 -0.07 0.00 -0.34 0.00 0.00 178.44 178.12 1rpr n ALA 54 N -2.42 -0.08 -0.09 1.25 0.00 -0.43 -3.77 120.51 114.97 1rpr n ALA 54 Ca -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1rpr n ALA 54 Cb 0.15 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1rpr n ALA 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rpr n ARG 55 N -3.28 0.51 0.00 0.00 0.63 -1.03 -5.01 116.66 108.47 1rpr n ARG 55 Ca 0.00 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1rpr n ARG 55 Cb 0.03 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.32 1rpr n ARG 55 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1rpr n PHE 56 N -4.50 0.00 0.00 -0.14 7.35 0.19 -4.51 117.46 115.84 1rpr n PHE 56 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1rpr n PHE 56 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 1rpr n PHE 56 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rpr n GLY 57 N 0.00 2.16 3.70 7.13 0.00 0.19 -4.66 105.19 113.72 1rpr n GLY 57 Ca 0.00 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1rpr n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rpr n ASP 58 N 4.40 3.34 -4.54 1.61 2.03 -1.26 -4.23 116.55 117.90 1rpr n ASP 58 Ca 0.00 1.13 -0.26 0.00 0.52 0.00 0.00 54.79 56.18 1rpr n ASP 58 Cb 0.00 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 38.80 1rpr n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1rpr s ASP 59 N 0.55 4.03 0.00 1.67 2.15 -1.26 -3.58 116.67 120.24 1rpr s ASP 59 Ca 0.69 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.94 1rpr s ASP 59 Cb -0.58 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 1rpr s ASP 59 CO 0.46 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 176.14 1rpr n GLY 60 N -0.21 -0.15 2.61 2.66 0.00 -1.26 -4.89 105.19 103.94 1rpr n GLY 60 Ca -0.09 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1rpr n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rpr n GLU 61 N -1.75 4.12 -1.75 1.61 4.71 -1.26 -4.94 120.64 121.38 1rpr n GLU 61 Ca 0.00 -3.35 -0.42 0.00 -0.01 0.00 0.00 57.16 53.39 1rpr n GLU 61 Cb 0.00 -2.77 -0.00 0.00 -1.01 0.00 0.00 31.44 27.66 1rpr n GLU 61 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1rpr n ASN 62 N 2.77 3.50 0.00 1.62 4.05 -1.26 -4.81 115.26 121.12 1rpr n ASN 62 Ca 0.56 1.22 0.00 0.00 0.45 0.00 0.00 54.58 56.81 1rpr n ASN 62 Cb 0.29 -1.58 0.00 0.00 1.23 0.00 0.00 39.78 39.72 1rpr n ASN 62 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39