#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s SER 3 N 0.00 2.30 -0.24 0.00 0.01 -1.26 -5.16 113.70 109.36 2h1o s SER 3 Ca 0.00 -1.03 -0.26 0.00 1.31 0.00 0.00 55.95 55.98 2h1o s SER 3 Cb 0.00 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.22 2h1o s SER 3 CO 0.00 -0.23 0.76 0.68 0.41 0.00 0.00 173.24 174.85 2h1o s VAL 4 N -3.10 0.00 -0.13 3.43 -7.23 -1.26 -5.15 120.40 106.96 2h1o s VAL 4 Ca 0.21 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2h1o s VAL 4 Cb 0.01 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 2h1o s VAL 4 CO 0.05 0.00 -0.14 0.54 -0.31 0.00 0.00 175.10 175.24 2h1o s VAL 5 N 0.15 2.94 -0.49 1.32 0.11 -1.26 -5.07 120.40 118.10 2h1o s VAL 5 Ca -0.01 -0.70 -0.13 0.00 -2.93 0.00 0.00 61.98 58.22 2h1o s VAL 5 Cb -0.04 -2.23 0.11 0.00 -1.53 0.00 0.00 36.38 32.69 2h1o s VAL 5 CO 0.01 0.52 0.40 -0.63 -3.33 0.00 0.00 175.10 172.08 2h1o s ILE 6 N 0.44 4.73 0.30 7.04 1.09 -1.26 -5.05 121.20 128.48 2h1o s ILE 6 Ca -0.10 -1.55 -0.04 0.00 -1.10 0.00 0.00 60.65 57.86 2h1o s ILE 6 Cb -0.16 -4.02 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 2h1o s ILE 6 CO 0.05 -0.76 0.56 -0.13 -0.10 0.00 0.00 174.94 174.56 2h1o s ARG 7 N 1.50 3.61 -1.10 2.79 0.52 -1.26 -4.45 118.95 120.55 2h1o s ARG 7 Ca 0.04 -0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.16 2h1o s ARG 7 Cb -0.27 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 2h1o s ARG 7 CO 0.02 0.19 0.91 0.09 0.02 0.00 0.00 175.30 176.52 2h1o n ASN 8 N -1.09 -5.40 -4.46 0.23 3.02 -1.26 -4.99 115.26 101.31 2h1o n ASN 8 Ca -0.02 -0.74 -0.37 0.00 -0.03 0.00 0.00 54.58 53.42 2h1o n ASN 8 Cb 0.54 -4.91 -0.12 0.00 -0.61 0.00 0.00 39.78 34.68 2h1o n ASN 8 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2h1o s LEU 9 N -5.76 3.67 0.26 3.41 0.20 -1.26 -5.06 118.68 114.14 2h1o s LEU 9 Ca 0.36 -0.26 -0.30 0.00 0.69 0.00 0.00 54.13 54.62 2h1o s LEU 9 Cb -0.06 -1.97 -0.13 0.00 -0.43 0.00 0.00 46.19 43.60 2h1o s LEU 9 CO 0.76 -0.07 1.32 -1.54 -0.29 0.00 0.00 176.35 176.52 2h1o n SER 10 N 4.95 2.50 -0.03 3.68 3.41 -1.26 -4.76 113.62 122.11 2h1o n SER 10 Ca -0.15 1.16 0.18 0.00 -0.26 0.00 0.00 58.87 59.80 2h1o n SER 10 Cb 0.51 -1.41 0.64 0.00 -0.26 0.00 0.00 64.21 63.69 2h1o n SER 10 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h1o h GLU 11 N 3.51 0.10 0.64 4.33 4.39 -1.97 0.14 114.58 125.72 2h1o h GLU 11 Ca -0.45 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.22 2h1o h GLU 11 Cb 1.29 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2h1o h GLU 11 CO 0.70 0.07 -0.31 0.00 -1.16 0.00 0.00 179.01 178.31 2h1o h ALA 12 N 1.72 -1.23 -0.69 3.43 0.00 -1.99 0.59 119.26 121.09 2h1o h ALA 12 Ca 0.27 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2h1o h ALA 12 Cb 0.92 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2h1o h ALA 12 CO -0.03 -1.17 0.23 1.15 0.00 0.00 0.00 179.25 179.44 2h1o h THR 13 N -0.86 0.66 0.04 0.00 2.02 -1.74 0.15 112.91 113.19 2h1o h THR 13 Ca -0.09 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2h1o h THR 13 Cb 0.66 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2h1o h THR 13 CO 0.14 0.07 -0.20 -0.74 0.37 0.00 0.00 175.52 175.17 2h1o h HIS 14 N 0.37 -0.52 -0.47 3.16 6.17 -0.51 0.16 115.15 123.52 2h1o h HIS 14 Ca 0.37 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.44 2h1o h HIS 14 Cb 0.55 0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.68 2h1o h HIS 14 CO -0.20 -0.28 0.20 -0.91 0.71 0.00 0.00 177.93 177.45 2h1o h ASN 15 N -0.34 0.59 -0.59 3.26 2.35 0.14 -0.10 115.58 120.89 2h1o h ASN 15 Ca 0.05 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2h1o h ASN 15 Cb 0.39 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 2h1o h ASN 15 CO -0.15 0.52 0.37 0.00 -1.65 0.00 0.00 177.43 176.51 2h1o h ALA 16 N 1.57 0.76 -0.09 -0.83 0.00 0.23 -0.68 119.26 120.22 2h1o h ALA 16 Ca 0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2h1o h ALA 16 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2h1o h ALA 16 CO -0.02 0.12 -0.60 0.82 0.00 0.00 0.00 179.25 179.57 2h1o h ILE 17 N 0.73 1.37 -0.11 0.00 1.08 0.10 -0.63 117.51 120.05 2h1o h ILE 17 Ca 0.23 -1.95 -0.01 0.00 -0.39 0.00 0.00 64.86 62.75 2h1o h ILE 17 Cb -0.01 1.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2h1o h ILE 17 CO -0.09 0.58 0.04 0.11 -0.69 0.00 0.00 178.15 178.11 2h1o h LYS 18 N 0.23 0.17 -0.14 2.37 1.57 -0.65 -1.36 116.57 118.76 2h1o h LYS 18 Ca -0.01 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2h1o h LYS 18 Cb 1.11 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 2h1o h LYS 18 CO 0.10 0.27 -0.23 0.35 -0.57 0.00 0.00 179.45 179.37 2h1o h PHE 19 N 0.02 -0.61 -0.18 -1.35 3.57 -0.95 0.83 116.94 118.27 2h1o h PHE 19 Ca 0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2h1o h PHE 19 Cb 0.17 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 2h1o h PHE 19 CO -0.02 -0.31 -0.27 -0.09 -2.23 0.00 0.00 178.31 175.39 2h1o h ARG 20 N -0.29 -0.31 0.27 1.11 2.43 -0.94 0.19 114.38 116.85 2h1o h ARG 20 Ca 0.10 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2h1o h ARG 20 Cb 0.44 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2h1o h ARG 20 CO -0.30 -0.20 -0.34 0.00 -1.51 0.00 0.00 179.97 177.61 2h1o h ALA 21 N 0.62 -0.69 -0.11 2.80 0.00 -0.76 0.12 119.26 121.24 2h1o h ALA 21 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2h1o h ALA 21 Cb 0.49 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2h1o h ALA 21 CO -0.36 -0.93 -0.37 0.00 0.00 0.00 0.00 179.25 177.58 2h1o h ARG 22 N -0.67 -0.45 -0.89 0.00 3.08 -0.34 0.42 114.38 115.54 2h1o h ARG 22 Ca -0.00 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.25 2h1o h ARG 22 Cb 0.63 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.68 2h1o h ARG 22 CO -0.11 -0.30 0.46 0.00 -1.07 0.00 0.00 179.97 178.95 2h1o h ALA 23 N 0.23 1.39 0.00 0.04 0.00 -0.35 0.23 119.26 120.81 2h1o h ALA 23 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h1o h ALA 23 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2h1o h ALA 23 CO -0.36 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.74 2h1o n ALA 24 N -2.42 2.63 -1.65 0.00 0.00 0.39 -4.90 120.51 114.55 2h1o n ALA 24 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 2h1o n ALA 24 Cb 0.52 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 2h1o n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 25 N 0.87 0.44 2.85 0.00 0.00 0.82 -5.03 105.19 105.13 2h1o n GLY 25 Ca 0.19 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2h1o n GLY 25 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2h1o n ARG 26 N -2.12 0.37 -2.13 1.61 1.85 -0.53 -5.01 116.66 110.70 2h1o n ARG 26 Ca -0.05 -2.96 -0.30 0.00 -1.00 0.00 0.00 57.85 53.54 2h1o n ARG 26 Cb 0.37 2.40 0.01 0.00 -1.05 0.00 0.00 32.46 34.19 2h1o n ARG 26 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2h1o s SER 27 N -3.07 6.10 0.20 2.89 1.04 -1.26 -3.66 113.70 115.94 2h1o s SER 27 Ca 0.35 1.19 -0.08 0.00 0.48 0.00 0.00 55.95 57.89 2h1o s SER 27 Cb 0.02 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.96 2h1o s SER 27 CO 0.25 -0.85 1.67 0.74 0.98 0.00 0.00 173.24 176.02 2h1o h THR 28 N -0.19 1.26 0.00 2.02 2.02 -1.91 0.27 112.91 116.39 2h1o h THR 28 Ca -0.45 -1.12 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 2h1o h THR 28 Cb 1.21 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2h1o h THR 28 CO 0.62 0.41 -0.30 -0.08 0.37 0.00 0.00 175.52 176.54 2h1o h GLU 29 N 0.97 0.00 -0.01 6.66 4.81 -1.98 -0.01 114.58 125.02 2h1o h GLU 29 Ca 0.18 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 2h1o h GLU 29 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2h1o h GLU 29 CO 0.03 0.30 -0.86 0.00 -0.73 0.00 0.00 179.01 177.75 2h1o h ALA 30 N 1.70 0.51 -0.31 2.92 0.00 -1.62 -2.36 119.26 120.10 2h1o h ALA 30 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 2h1o h ALA 30 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2h1o h ALA 30 CO 0.04 0.86 -0.12 0.93 0.00 0.00 0.00 179.25 180.96 2h1o h GLU 31 N 0.16 0.64 -0.39 0.00 4.39 0.39 -1.80 114.58 117.97 2h1o h GLU 31 Ca -0.05 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2h1o h GLU 31 Cb 1.47 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 2h1o h GLU 31 CO 0.14 0.84 -0.13 0.82 -1.16 0.00 0.00 179.01 179.51 2h1o h ILE 32 N 0.40 1.28 -0.74 3.13 2.04 -1.06 0.14 117.51 122.70 2h1o h ILE 32 Ca 0.07 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.79 2h1o h ILE 32 Cb 0.63 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 2h1o h ILE 32 CO 0.04 0.41 0.38 -0.09 0.00 0.00 0.00 178.15 178.90 2h1o h ARG 33 N 0.58 0.62 0.16 2.37 2.43 -1.40 0.10 114.38 119.25 2h1o h ARG 33 Ca 0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2h1o h ARG 33 Cb 0.67 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2h1o h ARG 33 CO 0.05 0.41 -0.08 1.25 -1.51 0.00 0.00 179.97 180.09 2h1o h LEU 34 N 0.64 -0.18 -0.66 3.80 6.46 -0.84 -0.04 115.31 124.49 2h1o h LEU 34 Ca 0.36 -0.33 0.14 0.00 -0.12 0.00 0.00 57.88 57.94 2h1o h LEU 34 Cb 0.38 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.25 2h1o h LEU 34 CO -0.27 0.27 0.05 0.40 -0.62 0.00 0.00 178.44 178.27 2h1o h ILE 35 N -0.69 0.48 -0.24 4.05 2.04 -0.34 0.11 117.51 122.92 2h1o h ILE 35 Ca -0.02 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2h1o h ILE 35 Cb 0.50 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2h1o h ILE 35 CO 0.04 0.03 0.05 -0.07 0.00 0.00 0.00 178.15 178.19 2h1o h LEU 36 N 0.16 0.37 -0.36 1.44 3.38 -0.78 -2.72 115.31 116.79 2h1o h LEU 36 Ca 0.35 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2h1o h LEU 36 Cb 0.59 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 2h1o h LEU 36 CO -0.54 0.52 -0.16 0.44 0.09 0.00 0.00 178.44 178.80 2h1o h ASP 37 N 0.21 -0.55 -0.88 -0.43 3.32 0.10 0.16 116.42 118.35 2h1o h ASP 37 Ca 0.07 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2h1o h ASP 37 Cb 0.30 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 2h1o h ASP 37 CO 0.00 -0.20 0.57 0.78 -1.72 0.00 0.00 179.24 178.67 2h1o h ASN 38 N -0.10 0.93 -0.10 6.45 -0.26 -0.84 0.36 115.58 122.02 2h1o h ASN 38 Ca 0.18 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2h1o h ASN 38 Cb 0.37 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2h1o h ASN 38 CO -0.42 0.63 0.05 0.40 -1.06 0.00 0.00 177.43 177.03 2h1o h ILE 39 N 1.08 1.10 -0.75 2.81 2.04 -0.95 -1.53 117.51 121.32 2h1o h ILE 39 Ca 0.36 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2h1o h ILE 39 Cb 0.04 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2h1o h ILE 39 CO -0.13 0.09 0.45 0.00 0.00 0.00 0.00 178.15 178.56 2h1o h ALA 40 N 0.94 1.00 -0.74 1.87 0.00 0.18 -0.44 119.26 122.08 2h1o h ALA 40 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2h1o h ALA 40 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2h1o h ALA 40 CO -0.01 0.18 0.49 -0.22 0.00 0.00 0.00 179.25 179.69 2h1o h LYS 41 N 0.84 0.84 -0.15 0.00 3.64 0.08 -1.52 116.57 120.29 2h1o h LYS 41 Ca 0.32 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2h1o h LYS 41 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2h1o h LYS 41 CO -0.16 0.56 -0.36 0.00 -2.27 0.00 0.00 179.45 177.22 2h1o h ALA 42 N 1.58 1.10 0.02 5.00 0.00 -0.07 -3.06 119.26 123.83 2h1o h ALA 42 Ca 0.30 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2h1o h ALA 42 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2h1o h ALA 42 CO -0.09 0.58 -0.96 1.96 0.00 0.00 0.00 179.25 180.74 2h1o h GLN 43 N 0.28 0.15 -5.17 0.00 1.08 -0.74 -3.40 115.11 107.31 2h1o h GLN 43 Ca 0.03 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2h1o h GLN 43 Cb 0.77 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2h1o h GLN 43 CO 0.06 0.99 0.19 -1.14 -0.95 0.00 0.00 178.83 177.98 2h1o s GLN 44 N -3.01 1.36 -0.05 1.46 2.00 -0.66 -4.64 119.66 116.12 2h1o s GLN 44 Ca -0.02 -0.47 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 2h1o s GLN 44 Cb 0.10 -5.00 -0.16 0.00 0.80 0.00 0.00 33.01 28.75 2h1o s GLN 44 CO 0.83 -5.26 0.85 1.15 -0.50 0.00 0.00 175.29 172.36 2h1o h THR 45 N 6.70 0.85 -4.02 -0.34 2.02 -1.84 -3.46 112.91 112.82 2h1o h THR 45 Ca 0.04 -1.15 -0.61 0.00 0.77 0.00 0.00 66.41 65.45 2h1o h THR 45 Cb 0.99 1.43 -0.23 0.00 -1.74 0.00 0.00 68.15 68.60 2h1o h THR 45 CO 1.04 0.22 -0.85 0.68 0.37 0.00 0.00 175.52 176.99 2h1o s VAL 46 N -3.35 1.90 -0.55 3.16 -7.23 -1.26 -5.10 120.40 107.98 2h1o s VAL 46 Ca -0.12 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 2h1o s VAL 46 Cb 0.00 -1.68 0.14 0.00 0.56 0.00 0.00 36.38 35.40 2h1o s VAL 46 CO 0.47 0.09 0.41 -0.13 -0.31 0.00 0.00 175.10 175.63 2h1o s ARG 47 N -1.70 2.61 0.20 4.82 0.52 -1.26 -4.98 118.95 119.16 2h1o s ARG 47 Ca 0.09 -2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 53.16 2h1o s ARG 47 Cb -0.10 -3.93 0.24 0.00 0.52 0.00 0.00 34.95 31.68 2h1o s ARG 47 CO 0.04 -1.20 1.65 1.25 0.02 0.00 0.00 175.30 177.06 2h1o h LEU 48 N 8.05 -0.40 0.00 2.53 5.85 -1.98 0.13 115.31 129.49 2h1o h LEU 48 Ca -0.12 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2h1o h LEU 48 Cb 1.04 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2h1o h LEU 48 CO 0.81 -0.15 0.00 0.61 -0.34 0.00 0.00 178.44 179.37 2h1o n GLY 49 N -1.38 -2.90 0.41 3.75 0.00 -1.26 -1.10 105.19 102.71 2h1o n GLY 49 Ca 0.07 0.14 0.30 0.00 0.00 0.00 0.00 46.02 46.54 2h1o n GLY 49 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2h1o h SER 50 N 0.00 0.36 0.07 1.61 0.02 -1.97 0.30 113.55 113.95 2h1o h SER 50 Ca 0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2h1o h SER 50 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2h1o h SER 50 CO 0.00 -0.14 -0.04 -0.03 -1.14 0.00 0.00 176.83 175.49 2h1o h MET 51 N 0.20 -0.10 -0.43 3.45 -1.53 -0.57 -1.31 114.93 114.65 2h1o h MET 51 Ca 0.76 0.01 -0.11 0.00 -3.44 0.00 0.00 59.70 56.91 2h1o h MET 51 Cb 2.10 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 33.15 2h1o h MET 51 CO -0.47 -0.03 -0.19 -0.07 0.14 0.00 0.00 176.91 176.29 2h1o h LEU 52 N -0.14 0.84 -0.31 3.39 3.38 0.10 -3.10 115.31 119.48 2h1o h LEU 52 Ca -0.01 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2h1o h LEU 52 Cb 0.11 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2h1o h LEU 52 CO 0.02 1.01 -0.11 0.00 0.09 0.00 0.00 178.44 179.45 2h1o h ALA 53 N 1.05 0.15 -0.34 1.53 0.00 -0.27 -1.95 119.26 119.44 2h1o h ALA 53 Ca 0.11 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2h1o h ALA 53 Cb 0.71 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2h1o h ALA 53 CO 0.05 -0.50 -0.41 0.77 0.00 0.00 0.00 179.25 179.16 2h1o h SER 54 N -0.06 -1.35 -0.53 0.00 0.02 -1.17 0.14 113.55 110.61 2h1o h SER 54 Ca 0.15 0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.41 2h1o h SER 54 Cb 0.29 0.59 -0.11 0.00 0.14 0.00 0.00 62.40 63.31 2h1o h SER 54 CO -0.35 -0.37 -0.29 0.40 -1.14 0.00 0.00 176.83 175.08 2h1o h ILE 55 N -0.35 0.24 -0.20 3.27 1.08 -1.45 0.63 117.51 120.72 2h1o h ILE 55 Ca 0.13 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 2h1o h ILE 55 Cb 0.59 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.51 2h1o h ILE 55 CO -0.53 0.00 -0.35 1.23 -0.69 0.00 0.00 178.15 177.82 2h1o h GLY 56 N -0.16 -0.46 1.49 5.37 0.00 -0.31 0.14 103.07 109.14 2h1o h GLY 56 Ca 0.23 0.43 0.07 0.00 0.00 0.00 0.00 47.33 48.06 2h1o h GLY 56 CO -0.62 -0.22 0.19 1.46 0.00 0.00 0.00 176.54 177.35 2h1o h GLN 57 N -0.38 0.00 -0.23 4.80 1.08 0.14 0.25 115.11 120.76 2h1o h GLN 57 Ca 0.11 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.13 2h1o h GLN 57 Cb 0.56 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2h1o h GLN 57 CO -0.41 0.00 -0.56 1.49 -0.95 0.00 0.00 178.83 178.40 2h1o h GLU 58 N 0.00 0.72 -0.44 1.46 4.81 0.29 -3.20 114.58 118.23 2h1o h GLU 58 Ca 0.12 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2h1o h GLU 58 Cb 0.49 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2h1o h GLU 58 CO -0.00 1.08 0.00 0.44 -0.73 0.00 0.00 179.01 179.80 2h1o n ILE 59 N -3.98 0.69 -2.86 2.32 -5.35 -0.68 -4.96 119.36 104.55 2h1o n ILE 59 Ca -0.04 -0.85 -0.13 0.00 -0.27 0.00 0.00 62.75 61.47 2h1o n ILE 59 Cb 0.62 0.78 0.03 0.00 -1.74 0.00 0.00 39.64 39.33 2h1o n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h1o n GLY 60 N 1.24 0.07 1.38 3.28 0.00 0.07 -4.79 105.19 106.44 2h1o n GLY 60 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2h1o n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1o n GLY 61 N -1.24 -4.32 3.03 -0.02 0.00 0.65 -5.00 105.19 98.28 2h1o n GLY 61 Ca -0.03 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 2h1o n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h1o s VAL 62 N -3.64 0.48 -0.34 1.61 -7.23 -1.26 -5.10 120.40 104.93 2h1o s VAL 62 Ca 0.00 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.31 2h1o s VAL 62 Cb 0.00 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.47 2h1o s VAL 62 CO 0.00 -0.23 0.10 -0.70 -0.31 0.00 0.00 175.10 173.96 2h1o s GLU 63 N -1.11 2.62 -0.05 4.82 2.56 -1.26 -5.08 118.70 121.20 2h1o s GLU 63 Ca -0.06 -1.17 -0.24 0.00 0.00 0.00 0.00 54.97 53.50 2h1o s GLU 63 Cb -0.07 -3.45 -0.04 0.00 2.00 0.00 0.00 34.13 32.57 2h1o s GLU 63 CO 0.00 -0.66 0.70 -0.51 -0.56 0.00 0.00 175.26 174.24 2h1o s LEU 64 N 1.40 4.33 0.32 2.70 1.43 -1.26 -5.01 118.68 122.59 2h1o s LEU 64 Ca -0.02 1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2h1o s LEU 64 Cb -0.19 -3.09 -0.16 0.00 0.03 0.00 0.00 46.19 42.77 2h1o s LEU 64 CO 0.03 -0.10 0.33 -0.62 0.23 0.00 0.00 176.35 176.22 2h1o n GLU 65 N 3.66 0.09 0.00 1.70 4.71 -1.26 -4.92 120.64 124.63 2h1o n GLU 65 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2h1o n GLU 65 Cb 0.51 -1.07 0.00 0.00 -1.01 0.00 0.00 31.44 29.87 2h1o n GLU 65 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2h1o n ASP 66 N 2.07 0.00 -2.50 1.62 -0.08 -1.26 -4.99 116.55 111.41 2h1o n ASP 66 Ca 0.14 0.40 -0.02 0.00 -1.51 0.00 0.00 54.79 53.81 2h1o n ASP 66 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 2h1o n ASP 66 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2h1o n VAL 67 N -0.54 -9.84 0.00 5.18 0.31 -1.26 -5.31 118.33 106.86 2h1o n VAL 67 Ca 0.00 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.61 2h1o n VAL 67 Cb 0.00 -6.43 0.00 0.00 -0.91 0.00 0.00 33.84 26.50 2h1o n VAL 67 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37