#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 0.66 -0.03 0.00 0.01 -1.26 -5.14 113.70 107.93 2h1o s SER 3 Ca 0.00 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 2h1o s SER 3 Cb 0.00 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2h1o s SER 3 CO 0.00 0.02 0.09 -0.69 0.41 0.00 0.00 173.24 173.07 2h1o s VAL 4 N 0.27 -0.00 -0.14 3.43 1.01 -1.26 -5.15 120.40 118.57 2h1o s VAL 4 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2h1o s VAL 4 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2h1o s VAL 4 CO -0.00 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.27 2h1o s VAL 5 N 0.07 2.94 -0.26 2.92 1.01 -1.26 -5.09 120.40 120.72 2h1o s VAL 5 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2h1o s VAL 5 Cb -0.01 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2h1o s VAL 5 CO 0.00 0.52 0.00 -0.63 0.00 0.00 0.00 175.10 174.99 2h1o s ILE 6 N 0.48 3.40 0.47 2.22 1.09 -1.26 -5.10 121.20 122.49 2h1o s ILE 6 Ca -0.10 -0.82 0.05 0.00 -1.10 0.00 0.00 60.65 58.69 2h1o s ILE 6 Cb -0.16 -2.72 -0.03 0.00 -1.06 0.00 0.00 42.46 38.49 2h1o s ILE 6 CO 0.04 0.18 0.14 -0.13 -0.10 0.00 0.00 174.94 175.07 2h1o s ARG 7 N 1.42 2.18 -1.12 2.79 0.52 -1.26 -4.67 118.95 118.81 2h1o s ARG 7 Ca 0.02 -2.09 -0.04 0.00 -0.52 0.00 0.00 55.73 53.11 2h1o s ARG 7 Cb -0.17 -1.81 0.03 0.00 0.52 0.00 0.00 34.95 33.52 2h1o s ARG 7 CO -0.01 -0.27 0.20 0.09 0.02 0.00 0.00 175.30 175.33 2h1o n ASN 8 N -1.30 -3.84 -4.67 0.23 5.03 -1.26 -4.88 115.26 104.57 2h1o n ASN 8 Ca -0.07 -0.02 -0.42 0.00 0.87 0.00 0.00 54.58 54.94 2h1o n ASN 8 Cb 0.66 -3.23 -0.03 0.00 -1.02 0.00 0.00 39.78 36.16 2h1o n ASN 8 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2h1o s LEU 9 N -5.95 4.16 -0.73 3.41 1.98 -1.26 -4.93 118.68 115.36 2h1o s LEU 9 Ca 0.16 1.29 -0.35 0.00 -2.89 0.00 0.00 54.13 52.34 2h1o s LEU 9 Cb -0.08 -3.38 -0.19 0.00 0.66 0.00 0.00 46.19 43.20 2h1o s LEU 9 CO 0.19 -0.49 2.45 -0.24 -1.89 0.00 0.00 176.35 176.37 2h1o n SER 10 N 5.52 0.82 -4.55 3.68 2.88 -1.26 -4.77 113.62 115.93 2h1o n SER 10 Ca 0.07 0.30 -0.35 0.00 -1.33 0.00 0.00 58.87 57.56 2h1o n SER 10 Cb 0.48 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 2h1o n SER 10 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2h1o s GLU 11 N 7.70 2.31 0.00 -1.46 2.02 -1.26 0.43 118.70 128.44 2h1o s GLU 11 Ca 1.25 0.92 0.00 0.00 0.02 0.00 0.00 54.97 57.15 2h1o s GLU 11 Cb -1.19 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 28.49 2h1o s GLU 11 CO 0.52 -3.14 0.00 0.00 0.02 0.00 0.00 175.26 172.67 2h1o n ALA 12 N 14.67 0.00 -0.24 5.21 0.00 -1.26 -4.80 120.51 134.09 2h1o n ALA 12 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 2h1o n ALA 12 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 2h1o n ALA 12 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2h1o h THR 13 N 0.00 1.26 -0.84 0.00 2.02 -0.38 0.47 112.91 115.44 2h1o h THR 13 Ca 0.00 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2h1o h THR 13 Cb 0.00 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2h1o h THR 13 CO 0.00 0.38 0.56 -0.74 0.37 0.00 0.00 175.52 176.09 2h1o h HIS 14 N 1.04 1.05 0.08 3.16 6.17 -1.49 -0.85 115.15 124.30 2h1o h HIS 14 Ca 0.21 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.31 2h1o h HIS 14 Cb 0.41 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.99 2h1o h HIS 14 CO 0.03 0.65 -0.04 -0.91 0.71 0.00 0.00 177.93 178.37 2h1o h ASN 15 N 1.12 -0.09 -0.60 3.26 2.35 -1.27 -0.55 115.58 119.79 2h1o h ASN 15 Ca 0.31 -0.20 0.12 0.00 -0.55 0.00 0.00 56.30 55.98 2h1o h ASN 15 Cb -0.09 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.21 2h1o h ASN 15 CO -0.08 0.15 0.07 0.00 -1.65 0.00 0.00 177.43 175.92 2h1o h ALA 16 N 0.56 0.66 0.58 -0.83 0.00 0.53 0.13 119.26 120.89 2h1o h ALA 16 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2h1o h ALA 16 Cb 0.29 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2h1o h ALA 16 CO 0.02 -0.35 -0.28 0.82 0.00 0.00 0.00 179.25 179.46 2h1o h ILE 17 N 0.19 0.25 -0.90 0.00 1.08 -1.09 -1.85 117.51 115.18 2h1o h ILE 17 Ca 0.31 -0.36 0.23 0.00 -0.39 0.00 0.00 64.86 64.65 2h1o h ILE 17 Cb 0.49 0.35 -0.17 0.00 -3.07 0.00 0.00 36.82 34.42 2h1o h ILE 17 CO -0.45 0.04 -0.04 1.17 -0.69 0.00 0.00 178.15 178.17 2h1o n LYS 18 N -5.33 -0.07 0.43 2.37 3.00 -0.22 -0.58 118.16 117.76 2h1o n LYS 18 Ca -0.11 1.37 -0.19 0.00 -0.00 0.00 0.00 58.31 59.38 2h1o n LYS 18 Cb 0.34 -2.14 -0.09 0.00 0.00 0.00 0.00 35.03 33.13 2h1o n LYS 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2h1o h PHE 19 N 0.00 -1.24 -0.33 5.64 3.57 -0.73 -1.27 116.94 122.59 2h1o h PHE 19 Ca 0.52 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.10 2h1o h PHE 19 Cb 1.02 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2h1o h PHE 19 CO -0.52 -0.71 0.30 0.00 -2.23 0.00 0.00 178.31 175.15 2h1o h ARG 20 N -1.18 0.00 0.55 1.11 3.08 -0.08 -0.95 114.38 116.92 2h1o h ARG 20 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2h1o h ARG 20 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.99 2h1o h ARG 20 CO 0.13 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.76 2h1o h ALA 21 N 1.72 -0.93 -0.85 0.04 0.00 -0.30 -2.99 119.26 115.95 2h1o h ALA 21 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2h1o h ALA 21 Cb 0.75 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2h1o h ALA 21 CO -0.00 -0.87 0.56 0.00 0.00 0.00 0.00 179.25 178.94 2h1o h ARG 22 N -0.95 1.10 -0.32 0.00 -0.00 -0.68 -1.25 114.38 112.28 2h1o h ARG 22 Ca -0.08 -0.07 0.09 0.00 -0.50 0.00 0.00 59.98 59.43 2h1o h ARG 22 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 30.28 2h1o h ARG 22 CO 0.12 0.73 0.27 0.00 0.00 0.00 0.00 179.97 181.09 2h1o h ALA 23 N 1.32 2.13 -0.54 0.04 0.00 -1.25 0.88 119.26 121.85 2h1o h ALA 23 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2h1o h ALA 23 Cb -0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2h1o h ALA 23 CO -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.74 2h1o n ALA 24 N -2.48 2.88 -2.44 0.00 0.00 -0.60 -4.96 120.51 112.90 2h1o n ALA 24 Ca 0.05 -1.62 -0.20 0.00 0.00 0.00 0.00 53.44 51.67 2h1o n ALA 24 Cb 0.43 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.79 -0.44 3.26 0.00 0.00 0.31 -5.01 105.19 104.10 2h1o n GLY 25 Ca 0.23 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2h1o n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2h1o s ARG 26 N -5.05 1.08 0.86 1.61 1.70 -0.58 -4.99 118.95 113.58 2h1o s ARG 26 Ca 0.03 -1.32 -0.12 0.00 -0.47 0.00 0.00 55.73 53.85 2h1o s ARG 26 Cb -0.01 -0.91 0.11 0.00 -0.57 0.00 0.00 34.95 33.57 2h1o s ARG 26 CO 0.04 0.16 1.15 -1.13 -1.08 0.00 0.00 175.30 174.45 2h1o n SER 27 N 0.31 0.64 -0.35 -2.89 3.41 -1.26 -3.65 113.62 109.82 2h1o n SER 27 Ca -0.14 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 58.97 2h1o n SER 27 Cb 0.58 -1.49 0.12 0.00 -0.26 0.00 0.00 64.21 63.17 2h1o n SER 27 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2h1o h THR 28 N -1.33 1.25 0.15 6.66 2.02 -1.92 -2.04 112.91 117.70 2h1o h THR 28 Ca -0.45 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2h1o h THR 28 Cb 1.29 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2h1o h THR 28 CO 0.44 0.25 -0.07 -0.08 0.37 0.00 0.00 175.52 176.42 2h1o h GLU 29 N 1.31 -0.20 -0.95 6.66 4.81 -1.99 -1.47 114.58 122.75 2h1o h GLU 29 Ca 0.35 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.78 2h1o h GLU 29 Cb -0.13 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 2h1o h GLU 29 CO -0.07 -0.12 0.61 0.00 -0.73 0.00 0.00 179.01 178.69 2h1o h ALA 30 N 0.63 1.92 0.41 2.92 0.00 -1.83 0.31 119.26 123.62 2h1o h ALA 30 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2h1o h ALA 30 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2h1o h ALA 30 CO 0.03 -0.23 -0.20 0.93 0.00 0.00 0.00 179.25 179.79 2h1o h GLU 31 N 0.62 -0.53 0.37 0.00 4.39 -0.59 0.58 114.58 119.41 2h1o h GLU 31 Ca 0.51 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.25 2h1o h GLU 31 Cb 0.98 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2h1o h GLU 31 CO -0.26 -0.35 -0.38 0.82 -1.16 0.00 0.00 179.01 177.67 2h1o h ILE 32 N -0.56 0.22 -0.84 3.13 1.08 -0.28 0.47 117.51 120.74 2h1o h ILE 32 Ca -0.06 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.62 2h1o h ILE 32 Cb 0.43 0.22 -0.15 0.00 -3.07 0.00 0.00 36.82 34.25 2h1o h ILE 32 CO 0.09 0.00 0.02 -0.09 -0.69 0.00 0.00 178.15 177.48 2h1o h ARG 33 N -0.78 0.09 -0.23 2.37 2.43 -0.82 0.43 114.38 117.86 2h1o h ARG 33 Ca -0.03 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 2h1o h ARG 33 Cb 0.70 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2h1o h ARG 33 CO -0.07 0.06 -0.43 1.25 -1.51 0.00 0.00 179.97 179.26 2h1o h LEU 34 N 0.09 0.59 0.59 3.80 7.12 0.11 -0.15 115.31 127.45 2h1o h LEU 34 Ca 0.47 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 58.18 2h1o h LEU 34 Cb 0.88 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2h1o h LEU 34 CO -0.74 0.95 -0.28 0.40 -0.13 0.00 0.00 178.44 178.63 2h1o h ILE 35 N 0.45 0.24 -0.74 4.05 2.04 0.39 -0.80 117.51 123.15 2h1o h ILE 35 Ca 0.03 -0.36 0.15 0.00 1.00 0.00 0.00 64.86 65.68 2h1o h ILE 35 Cb 0.94 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 37.25 2h1o h ILE 35 CO 0.08 0.03 0.25 -0.07 0.00 0.00 0.00 178.15 178.45 2h1o h LEU 36 N -1.08 0.18 -0.91 1.44 4.07 -0.50 0.11 115.31 118.62 2h1o h LEU 36 Ca -0.08 0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.09 2h1o h LEU 36 Cb 0.66 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.45 2h1o h LEU 36 CO 0.13 0.05 0.56 0.44 -1.08 0.00 0.00 178.44 178.55 2h1o h ASP 37 N 0.37 0.85 -0.26 -0.43 3.45 -0.85 -1.36 116.42 118.19 2h1o h ASP 37 Ca 0.41 0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.76 2h1o h ASP 37 Cb 0.65 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 2h1o h ASP 37 CO -0.44 0.50 -0.35 0.78 -1.57 0.00 0.00 179.24 178.17 2h1o h ASN 38 N 0.96 0.84 0.18 6.45 2.35 0.68 -2.71 115.58 124.34 2h1o h ASN 38 Ca 0.42 -0.36 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2h1o h ASN 38 Cb 0.31 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2h1o h ASN 38 CO -0.22 1.11 -0.26 0.40 -1.65 0.00 0.00 177.43 176.81 2h1o h ILE 39 N 0.66 0.44 -0.98 2.81 1.08 -0.28 -1.78 117.51 119.45 2h1o h ILE 39 Ca 0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.70 2h1o h ILE 39 Cb 0.90 0.44 -0.09 0.00 -3.07 0.00 0.00 36.82 35.00 2h1o h ILE 39 CO 0.08 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 178.16 2h1o h ALA 40 N 0.19 1.72 -0.18 1.87 0.00 -1.23 -0.17 119.26 121.46 2h1o h ALA 40 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2h1o h ALA 40 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2h1o h ALA 40 CO -0.11 -0.04 -0.35 -0.22 0.00 0.00 0.00 179.25 178.54 2h1o h LYS 41 N 0.77 0.38 0.00 0.00 3.64 -1.09 -2.01 116.57 118.27 2h1o h LYS 41 Ca 0.53 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2h1o h LYS 41 Cb 0.81 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2h1o h LYS 41 CO -0.31 0.69 -0.28 0.00 -2.27 0.00 0.00 179.45 177.27 2h1o h ALA 42 N 1.31 0.83 0.00 5.00 0.00 -0.25 -2.99 119.26 123.16 2h1o h ALA 42 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2h1o h ALA 42 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2h1o h ALA 42 CO 0.06 0.36 -0.36 1.04 0.00 0.00 0.00 179.25 180.35 2h1o n GLN 43 N -3.19 0.28 -3.68 0.00 6.02 -0.37 -4.88 117.38 111.57 2h1o n GLN 43 Ca 0.03 0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.80 2h1o n GLN 43 Cb 0.63 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 30.10 2h1o n GLN 43 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2h1o s GLN 44 N -3.14 3.67 -0.32 -1.09 0.74 -0.78 -5.07 119.66 113.66 2h1o s GLN 44 Ca 0.08 0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.59 2h1o s GLN 44 Cb 0.13 -3.10 0.10 0.00 1.10 0.00 0.00 33.01 31.24 2h1o s GLN 44 CO 0.67 0.65 0.04 0.99 -0.55 0.00 0.00 175.29 177.09 2h1o s THR 45 N -1.25 2.01 0.29 -0.34 2.01 -1.26 -4.95 115.64 112.14 2h1o s THR 45 Ca 0.27 -2.09 -0.25 0.00 0.31 0.00 0.00 61.69 59.92 2h1o s THR 45 Cb -0.14 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.82 2h1o s THR 45 CO 0.15 -0.55 0.89 0.68 -0.69 0.00 0.00 174.62 175.10 2h1o s VAL 46 N 1.05 4.28 -0.76 3.82 -7.23 -1.26 -5.00 120.40 115.30 2h1o s VAL 46 Ca 0.09 1.73 -0.10 0.00 -1.81 0.00 0.00 61.98 61.89 2h1o s VAL 46 Cb -0.19 -4.01 0.20 0.00 0.56 0.00 0.00 36.38 32.95 2h1o s VAL 46 CO -0.11 0.19 0.66 0.00 -0.31 0.00 0.00 175.10 175.54 2h1o s ARG 47 N -1.95 3.27 0.30 4.82 1.70 -1.26 -4.95 118.95 120.88 2h1o s ARG 47 Ca 0.48 -2.50 0.05 0.00 -0.47 0.00 0.00 55.73 53.29 2h1o s ARG 47 Cb -0.19 -4.20 0.82 0.00 -0.57 0.00 0.00 34.95 30.81 2h1o s ARG 47 CO 0.24 -1.25 1.63 1.25 -1.08 0.00 0.00 175.30 176.09 2h1o h LEU 48 N 7.51 0.01 0.69 -1.89 5.85 -1.98 -1.39 115.31 124.10 2h1o h LEU 48 Ca 0.07 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2h1o h LEU 48 Cb 1.01 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.33 2h1o h LEU 48 CO 0.74 -0.21 -0.34 1.23 -0.34 0.00 0.00 178.44 179.52 2h1o h GLY 49 N 0.17 -1.00 0.37 3.75 0.00 -2.00 -2.74 103.07 101.62 2h1o h GLY 49 Ca 0.61 0.38 0.05 0.00 0.00 0.00 0.00 47.33 48.36 2h1o h GLY 49 CO -0.70 -0.36 -0.18 1.76 0.00 0.00 0.00 176.54 177.06 2h1o h SER 50 N -0.94 -0.56 -1.08 0.19 0.02 -1.90 0.96 113.55 110.24 2h1o h SER 50 Ca -0.09 0.10 0.29 0.00 -0.84 0.00 0.00 61.79 61.25 2h1o h SER 50 Cb 0.72 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 2h1o h SER 50 CO 0.15 -0.23 0.71 -0.03 -1.14 0.00 0.00 176.83 176.29 2h1o h MET 51 N -0.21 0.28 0.06 3.45 -1.53 -1.31 0.25 114.93 115.92 2h1o h MET 51 Ca 0.11 -0.02 -0.23 0.00 -3.44 0.00 0.00 59.70 56.12 2h1o h MET 51 Cb 0.37 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 2h1o h MET 51 CO -0.28 0.18 -1.18 -0.07 0.14 0.00 0.00 176.91 175.70 2h1o h LEU 52 N 0.29 0.21 -1.70 3.39 3.38 -1.05 -3.19 115.31 116.63 2h1o h LEU 52 Ca 0.59 -0.77 0.30 0.00 0.09 0.00 0.00 57.88 58.09 2h1o h LEU 52 Cb 1.72 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.33 2h1o h LEU 52 CO -0.23 1.50 0.75 0.00 0.09 0.00 0.00 178.44 180.54 2h1o h ALA 53 N -0.17 2.68 0.14 1.53 0.00 0.35 0.22 119.26 124.02 2h1o h ALA 53 Ca -0.28 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 2h1o h ALA 53 Cb 1.52 0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.39 2h1o h ALA 53 CO -0.03 -1.05 -0.94 0.66 0.00 0.00 0.00 179.25 177.89 2h1o h SER 54 N 0.18 0.46 -0.02 0.00 4.64 -1.13 -2.45 113.55 115.22 2h1o h SER 54 Ca 0.57 -0.93 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2h1o h SER 54 Cb 1.86 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2h1o h SER 54 CO -0.14 1.44 0.02 0.40 -0.87 0.00 0.00 176.83 177.68 2h1o h ILE 55 N -0.35 0.72 0.36 0.95 2.04 -1.12 0.30 117.51 120.41 2h1o h ILE 55 Ca -0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2h1o h ILE 55 Cb 1.68 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2h1o h ILE 55 CO 0.14 0.00 -0.17 1.23 0.00 0.00 0.00 178.15 179.34 2h1o h GLY 56 N 0.00 -0.51 2.00 5.37 0.00 -0.62 -3.05 103.07 106.26 2h1o h GLY 56 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2h1o h GLY 56 CO -0.00 -0.18 0.00 1.46 0.00 0.00 0.00 176.54 177.82 2h1o h GLN 57 N -0.99 0.00 0.00 4.80 1.08 -0.92 -1.46 115.11 117.63 2h1o h GLN 57 Ca -0.05 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2h1o h GLN 57 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2h1o h GLN 57 CO 0.08 0.00 -0.29 1.49 -0.95 0.00 0.00 178.83 179.16 2h1o h GLU 58 N 0.00 0.00 -0.08 1.46 4.81 -0.31 -3.27 114.58 117.19 2h1o h GLU 58 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2h1o h GLU 58 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2h1o h GLU 58 CO 0.00 0.29 0.00 0.44 -0.73 0.00 0.00 179.01 179.01 2h1o n ILE 59 N -3.60 1.18 -0.77 2.32 -5.35 -0.61 -4.99 119.36 107.54 2h1o n ILE 59 Ca -0.01 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 2h1o n ILE 59 Cb 0.42 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.42 0.59 0.20 3.28 0.00 -1.09 -4.88 105.19 102.88 2h1o n GLY 60 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.77 -3.19 3.26 -0.02 0.00 -0.83 -5.02 105.19 96.61 2h1o n GLY 61 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.17 0.06 -0.00 1.61 -7.23 -1.26 -5.10 120.40 106.31 2h1o s VAL 62 Ca 0.00 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2h1o s VAL 62 Cb 0.00 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2h1o s VAL 62 CO 0.00 -0.27 -0.00 -1.83 -0.31 0.00 0.00 175.10 172.69 2h1o s GLU 63 N -4.05 0.03 0.00 4.82 1.03 -1.26 -5.17 118.70 114.11 2h1o s GLU 63 Ca 0.25 -0.01 0.00 0.00 0.03 0.00 0.00 54.97 55.25 2h1o s GLU 63 Cb 0.05 -0.04 0.00 0.00 -0.80 0.00 0.00 34.13 33.34 2h1o s GLU 63 CO 0.04 0.00 0.36 1.28 -1.33 0.00 0.00 175.26 175.62