#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1m s GLU 2 N 0.00 4.39 -0.06 2.12 0.41 -1.26 -5.02 118.70 119.28 1d1m s GLU 2 Ca 0.00 1.75 0.04 0.00 -0.41 0.00 0.00 54.97 56.35 1d1m s GLU 2 Cb 0.00 -2.91 -0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1d1m s GLU 2 CO 0.00 0.01 -0.19 -0.65 -0.49 0.00 0.00 175.26 173.93 1d1m s GLN 3 N -1.90 2.21 0.04 1.61 -1.52 -1.26 -5.04 119.66 113.81 1d1m s GLN 3 Ca 0.51 -0.69 0.08 0.00 -1.95 0.00 0.00 55.36 53.30 1d1m s GLN 3 Cb -0.29 -1.82 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 1d1m s GLN 3 CO 0.37 0.21 -0.20 1.03 -0.25 0.00 0.00 175.29 176.46 1d1m s ARG 4 N 0.19 2.00 -0.10 2.91 0.52 -1.26 -0.16 118.95 123.05 1d1m s ARG 4 Ca -0.09 -1.02 -0.09 0.00 -0.52 0.00 0.00 55.73 54.01 1d1m s ARG 4 Cb -0.14 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.21 1d1m s ARG 4 CO 0.04 0.53 0.26 -1.50 0.02 0.00 0.00 175.30 174.66 1d1m s ILE 5 N -0.91 -0.00 0.81 1.52 2.07 0.11 -4.98 121.20 119.82 1d1m s ILE 5 Ca 0.14 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.26 1d1m s ILE 5 Cb -0.10 -0.37 0.09 0.00 0.13 0.00 0.00 42.46 42.20 1d1m s ILE 5 CO 0.05 0.00 1.15 0.42 -1.91 0.00 0.00 174.94 174.65 1d1m s THR 6 N 0.15 2.46 0.25 4.00 -4.23 -1.26 -0.58 115.64 116.42 1d1m s THR 6 Ca -0.00 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.62 1d1m s THR 6 Cb -0.02 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.59 1d1m s THR 6 CO 0.00 -0.17 1.92 0.25 -0.54 0.00 0.00 174.62 176.09 1d1m h LEU 7 N -1.13 1.13 -0.47 4.79 5.85 -1.51 -1.29 115.31 122.67 1d1m h LEU 7 Ca -0.45 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1d1m h LEU 7 Cb 1.27 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1d1m h LEU 7 CO 0.47 0.81 0.27 0.50 -0.34 0.00 0.00 178.44 180.14 1d1m h LYS 8 N 1.33 0.65 -0.54 1.25 3.64 -1.91 -0.60 116.57 120.39 1d1m h LYS 8 Ca 0.37 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1d1m h LYS 8 Cb -0.14 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1d1m h LYS 8 CO -0.08 0.50 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.02 1d1m h ASP 9 N 0.62 1.04 -0.19 4.20 3.32 -1.86 0.11 116.42 123.65 1d1m h ASP 9 Ca 0.17 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1d1m h ASP 9 Cb 0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1d1m h ASP 9 CO -0.03 1.16 0.07 0.22 -1.72 0.00 0.00 179.24 178.94 1d1m h TYR 10 N 0.91 0.30 -0.92 4.55 5.03 -0.85 -1.62 116.97 124.37 1d1m h TYR 10 Ca 0.14 -0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.49 1d1m h TYR 10 Cb 0.71 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.83 1d1m h TYR 10 CO 0.05 0.38 0.58 0.00 -1.32 0.00 0.00 178.16 177.84 1d1m h ALA 11 N 0.89 1.29 -0.57 1.82 0.00 -1.14 -0.48 119.26 121.07 1d1m h ALA 11 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1d1m h ALA 11 Cb 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1d1m h ALA 11 CO -0.00 0.32 0.33 1.98 0.00 0.00 0.00 179.25 181.87 1d1m h MET 12 N 1.03 0.62 0.08 0.00 4.05 -0.33 1.30 114.93 121.69 1d1m h MET 12 Ca 0.41 -0.04 -0.26 0.00 -0.28 0.00 0.00 59.70 59.54 1d1m h MET 12 Cb 0.22 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1d1m h MET 12 CO -0.19 0.41 -1.13 -0.09 0.23 0.00 0.00 176.91 176.14 1d1m h ARG 13 N 0.64 0.33 0.00 0.39 9.65 -0.37 -3.38 114.38 121.64 1d1m h ARG 13 Ca 0.24 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1d1m h ARG 13 Cb 0.08 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1d1m h ARG 13 CO -0.13 1.18 -0.87 1.19 2.80 0.00 0.00 179.97 184.14 1d1m n PHE 14 N -3.62 0.00 0.00 2.20 3.72 -0.28 -5.09 117.46 114.39 1d1m n PHE 14 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1d1m n PHE 14 Cb 0.95 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1d1m n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1d1m n GLY 15 N 1.40 -1.60 0.06 1.37 0.00 0.45 -4.32 105.19 102.54 1d1m n GLY 15 Ca 0.02 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.63 1d1m n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d1m n GLN 16 N -1.10 0.13 0.00 1.61 6.02 -1.26 -2.32 117.38 120.47 1d1m n GLN 16 Ca 0.00 0.20 -0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1d1m n GLN 16 Cb 0.00 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.51 1d1m n GLN 16 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1d1m h THR 17 N 0.00 0.91 -0.12 5.09 2.02 -1.95 -1.55 112.91 117.31 1d1m h THR 17 Ca 0.00 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 65.80 1d1m h THR 17 Cb 0.51 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1d1m h THR 17 CO 0.00 0.27 -0.07 0.50 0.37 0.00 0.00 175.52 176.59 1d1m h LYS 18 N -0.92 -0.07 -0.80 6.66 1.63 -1.75 -1.08 116.57 120.24 1d1m h LYS 18 Ca -0.01 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.95 1d1m h LYS 18 Cb 0.54 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.08 1d1m h LYS 18 CO 0.02 -0.04 0.35 1.15 -3.45 0.00 0.00 179.45 177.47 1d1m h THR 19 N -0.07 0.64 -0.55 1.00 2.02 -1.52 0.28 112.91 114.71 1d1m h THR 19 Ca 0.07 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1d1m h THR 19 Cb 0.17 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1d1m h THR 19 CO -0.16 0.09 0.21 0.00 0.37 0.00 0.00 175.52 176.02 1d1m h ALA 20 N 1.58 1.34 -0.10 6.16 0.00 -0.28 -1.90 119.26 126.06 1d1m h ALA 20 Ca 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1d1m h ALA 20 Cb 0.71 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1d1m h ALA 20 CO -0.42 0.49 -0.01 0.87 0.00 0.00 0.00 179.25 180.18 1d1m h LYS 21 N 0.78 0.18 -0.56 0.00 6.56 0.59 0.34 116.57 124.46 1d1m h LYS 21 Ca 0.19 -0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.75 1d1m h LYS 21 Cb 0.17 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 1d1m h LYS 21 CO -0.02 0.46 0.33 -0.44 -2.06 0.00 0.00 179.45 177.72 1d1m h ASP 22 N -0.13 0.52 0.79 0.86 3.32 -0.26 -2.95 116.42 118.58 1d1m h ASP 22 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1d1m h ASP 22 Cb 0.39 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1d1m h ASP 22 CO 0.01 0.36 -0.63 0.18 -1.72 0.00 0.00 179.24 177.43 1d1m n LEU 23 N -4.79 0.66 -1.92 1.55 4.77 -0.75 -4.73 117.00 111.78 1d1m n LEU 23 Ca 0.05 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1d1m n LEU 23 Cb 0.10 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1d1m n LEU 23 CO 0.31 -0.03 0.11 0.61 -1.33 0.00 0.00 177.39 177.07 1d1m n GLY 24 N 1.36 0.26 1.56 -0.72 0.00 0.12 -4.99 105.19 102.78 1d1m n GLY 24 Ca 0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1d1m n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d1m n VAL 25 N -3.53 0.00 -3.46 1.61 0.24 -1.00 -5.04 118.33 107.15 1d1m n VAL 25 Ca -0.01 -1.10 -0.32 0.00 -2.04 0.00 0.00 64.34 60.87 1d1m n VAL 25 Cb 0.53 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 1d1m n VAL 25 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1d1m s TYR 26 N -2.19 3.46 0.47 6.34 4.12 -1.26 -4.62 117.35 123.68 1d1m s TYR 26 Ca 0.08 0.84 0.15 0.00 0.02 0.00 0.00 57.07 58.17 1d1m s TYR 26 Cb 0.00 -2.23 1.13 0.00 -1.52 0.00 0.00 41.96 39.35 1d1m s TYR 26 CO 0.06 0.33 2.03 1.96 0.02 0.00 0.00 175.55 179.95 1d1m h GLN 27 N 2.78 0.25 -0.61 -0.62 4.20 -1.93 -1.88 115.11 117.30 1d1m h GLN 27 Ca -0.47 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1d1m h GLN 27 Cb 1.17 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1d1m h GLN 27 CO 0.69 0.17 0.39 0.66 -0.67 0.00 0.00 178.83 180.07 1d1m h SER 28 N 0.26 0.71 -1.00 1.46 4.64 -1.96 0.26 113.55 117.92 1d1m h SER 28 Ca 0.19 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1d1m h SER 28 Cb 0.41 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 1d1m h SER 28 CO -0.04 0.53 0.65 0.00 -0.87 0.00 0.00 176.83 177.11 1d1m h ALA 29 N 1.21 1.35 0.01 5.18 0.00 -1.74 -0.06 119.26 125.22 1d1m h ALA 29 Ca 0.22 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1d1m h ALA 29 Cb -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1d1m h ALA 29 CO -0.05 0.51 -0.94 0.82 0.00 0.00 0.00 179.25 179.60 1d1m h ILE 30 N 1.23 1.44 -0.29 0.00 2.04 -1.26 -1.45 117.51 119.21 1d1m h ILE 30 Ca 0.41 -2.53 -0.13 0.00 1.00 0.00 0.00 64.86 63.61 1d1m h ILE 30 Cb 0.07 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1d1m h ILE 30 CO -0.14 0.75 -0.36 -1.13 0.00 0.00 0.00 178.15 177.26 1d1m h ASN 31 N 0.18 0.69 0.00 1.72 -0.73 -0.56 -0.99 115.58 115.90 1d1m h ASN 31 Ca -0.07 -0.30 0.02 0.00 1.87 0.00 0.00 56.30 57.83 1d1m h ASN 31 Cb 1.57 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.94 1d1m h ASN 31 CO 0.16 0.99 -0.14 0.50 -0.37 0.00 0.00 177.43 178.56 1d1m h LYS 32 N 0.55 -0.23 -0.11 6.67 3.64 -0.89 0.21 116.57 126.40 1d1m h LYS 32 Ca 0.05 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1d1m h LYS 32 Cb 0.88 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1d1m h LYS 32 CO 0.08 -0.15 -0.34 0.00 -2.27 0.00 0.00 179.45 176.76 1d1m h ALA 33 N 0.70 1.21 -0.07 5.00 0.00 -1.21 0.29 119.26 125.20 1d1m h ALA 33 Ca 0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1d1m h ALA 33 Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1d1m h ALA 33 CO -0.14 0.53 -0.65 0.82 0.00 0.00 0.00 179.25 179.82 1d1m h ILE 34 N 0.20 1.36 -0.52 0.00 2.04 -0.93 -2.06 117.51 117.60 1d1m h ILE 34 Ca 0.02 -1.98 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 1d1m h ILE 34 Cb 0.71 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1d1m h ILE 34 CO 0.05 0.60 0.01 0.45 0.00 0.00 0.00 178.15 179.26 1d1m h HIS 35 N 0.15 0.92 0.00 1.37 3.86 -0.28 -2.28 115.15 118.90 1d1m h HIS 35 Ca -0.06 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1d1m h HIS 35 Cb 1.31 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1d1m h HIS 35 CO 0.12 0.84 0.00 0.00 0.86 0.00 0.00 177.93 179.75 1d1m n ALA 36 N -2.48 1.64 -1.24 2.45 0.00 0.10 -4.86 120.51 116.12 1d1m n ALA 36 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1d1m n ALA 36 Cb 0.31 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1d1m n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1m n GLY 37 N -0.06 0.43 3.76 0.00 0.00 -0.86 -4.99 105.19 103.48 1d1m n GLY 37 Ca 0.03 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1d1m n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d1m s ARG 38 N -2.51 3.71 -1.45 1.61 0.52 -0.81 -4.87 118.95 115.15 1d1m s ARG 38 Ca 0.00 2.03 -0.13 0.00 -0.52 0.00 0.00 55.73 57.11 1d1m s ARG 38 Cb 0.00 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 32.99 1d1m s ARG 38 CO 0.00 -0.66 2.26 1.63 0.02 0.00 0.00 175.30 178.55 1d1m n LYS 39 N -0.34 3.08 -4.05 3.54 4.01 -1.26 -4.93 118.16 118.21 1d1m n LYS 39 Ca 0.06 -2.71 -0.35 0.00 -0.51 0.00 0.00 58.31 54.81 1d1m n LYS 39 Cb 0.46 -3.17 -0.09 0.00 -0.51 0.00 0.00 35.03 31.71 1d1m n LYS 39 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1d1m s ILE 40 N 2.61 4.77 0.02 -0.18 1.01 -1.26 -1.92 121.20 126.25 1d1m s ILE 40 Ca 0.48 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1d1m s ILE 40 Cb 0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1d1m s ILE 40 CO -0.07 0.49 -0.06 0.72 0.00 0.00 0.00 174.94 176.02 1d1m s PHE 41 N 0.10 0.53 0.07 3.97 -0.71 0.25 -1.24 117.98 120.95 1d1m s PHE 41 Ca 0.05 -0.37 0.03 0.00 -1.04 0.00 0.00 56.93 55.61 1d1m s PHE 41 Cb -0.12 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1d1m s PHE 41 CO 0.01 -0.07 0.05 -0.51 -1.34 0.00 0.00 175.22 173.35 1d1m s LEU 42 N -1.09 3.68 0.03 -1.99 1.02 0.26 -0.04 118.68 120.54 1d1m s LEU 42 Ca -0.07 -0.05 0.08 0.00 0.02 0.00 0.00 54.13 54.11 1d1m s LEU 42 Cb -0.07 -2.35 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 1d1m s LEU 42 CO 0.00 0.19 -0.24 0.42 0.02 0.00 0.00 176.35 176.73 1d1m s THR 43 N -1.33 2.27 -0.10 5.49 -4.23 0.79 -0.71 115.64 117.82 1d1m s THR 43 Ca 0.27 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1d1m s THR 43 Cb -0.12 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1d1m s THR 43 CO 0.20 0.42 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.94 1d1m s ILE 44 N -0.78 3.18 0.16 2.99 1.01 0.78 -2.04 121.20 126.50 1d1m s ILE 44 Ca 0.12 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1d1m s ILE 44 Cb -0.10 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1d1m s ILE 44 CO 0.02 0.55 0.13 0.20 0.00 0.00 0.00 174.94 175.84 1d1m s ASN 45 N -0.17 5.48 0.44 3.58 0.02 -0.46 -4.15 114.94 119.68 1d1m s ASN 45 Ca 0.00 -0.14 0.18 0.00 -1.02 0.00 0.00 52.86 51.88 1d1m s ASN 45 Cb -0.13 -1.42 1.02 0.00 0.02 0.00 0.00 41.25 40.74 1d1m s ASN 45 CO 0.03 0.07 1.95 0.00 0.02 0.00 0.00 177.10 179.17 1d1m h ALA 46 N 2.46 1.44 0.00 0.60 0.00 -1.98 -0.12 119.26 121.66 1d1m h ALA 46 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1d1m h ALA 46 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d1m h ALA 46 CO 0.63 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 1d1m n ASP 47 N -4.01 0.01 0.00 0.00 5.68 -1.26 -4.83 116.55 112.15 1d1m n ASP 47 Ca -0.02 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.77 1d1m n ASP 47 Cb 0.31 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1d1m n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d1m n GLY 48 N -0.32 0.80 3.78 6.12 0.00 -0.06 -5.04 105.19 110.47 1d1m n GLY 48 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1d1m n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1m s SER 49 N -2.06 7.29 -0.04 1.61 0.01 -1.25 -4.87 113.70 114.38 1d1m s SER 49 Ca 0.00 1.52 0.06 0.00 1.31 0.00 0.00 55.95 58.84 1d1m s SER 49 Cb 0.00 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1d1m s SER 49 CO 0.00 0.19 -0.21 -0.69 0.41 0.00 0.00 173.24 172.94 1d1m s VAL 50 N -0.94 1.72 0.05 3.43 1.01 -1.26 -1.35 120.40 123.06 1d1m s VAL 50 Ca 0.35 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1d1m s VAL 50 Cb -0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1d1m s VAL 50 CO 0.24 0.49 -0.02 -0.72 0.00 0.00 0.00 175.10 175.09 1d1m s TYR 51 N -0.23 0.48 0.13 5.22 -0.85 -0.86 -4.78 117.35 116.45 1d1m s TYR 51 Ca 0.01 -1.00 0.08 0.00 -0.52 0.00 0.00 57.07 55.64 1d1m s TYR 51 Cb -0.11 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 1d1m s TYR 51 CO 0.01 -0.37 -0.11 0.00 -1.52 0.00 0.00 175.55 173.56 1d1m s ALA 52 N -3.70 2.90 0.18 9.51 0.00 -1.26 -0.15 121.76 129.24 1d1m s ALA 52 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1d1m s ALA 52 Cb 0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1d1m s ALA 52 CO -0.09 0.59 0.06 -1.21 0.00 0.00 0.00 175.76 175.11 1d1m s GLU 53 N -2.35 1.13 -0.01 0.00 2.02 0.94 -2.08 118.70 118.35 1d1m s GLU 53 Ca 0.22 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.65 1d1m s GLU 53 Cb -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1d1m s GLU 53 CO 0.13 -0.25 -0.04 -2.00 0.02 0.00 0.00 175.26 173.12 1d1m s GLU 54 N -4.03 0.37 -0.40 1.61 2.12 0.99 -0.58 118.70 118.79 1d1m s GLU 54 Ca 0.29 -0.12 -0.22 0.00 0.36 0.00 0.00 54.97 55.28 1d1m s GLU 54 Cb 0.07 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.10 1d1m s GLU 54 CO 0.07 0.06 0.72 0.08 -0.54 0.00 0.00 175.26 175.65 1d1m s VAL 55 N 0.08 4.76 -0.19 3.70 1.01 -0.81 -0.07 120.40 128.88 1d1m s VAL 55 Ca -0.00 0.57 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 1d1m s VAL 55 Cb -0.04 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.19 1d1m s VAL 55 CO -0.00 -0.50 0.51 -0.75 0.00 0.00 0.00 175.10 174.35 1d1m s LYS 56 N 3.01 0.57 -1.46 2.72 2.20 0.39 -4.56 119.74 122.62 1d1m s LYS 56 Ca 0.28 0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 56.57 1d1m s LYS 56 Cb -0.13 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.47 1d1m s LYS 56 CO 0.18 -0.09 0.81 -0.25 -0.36 0.00 0.00 175.35 175.64 1d1m n ASP 57 N 3.13 -2.99 0.00 1.43 8.00 -1.26 -1.31 116.55 123.55 1d1m n ASP 57 Ca -0.15 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1d1m n ASP 57 Cb 0.56 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1d1m n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d1m n GLY 58 N -1.67 0.54 3.25 0.44 0.00 -1.26 -5.00 105.19 101.49 1d1m n GLY 58 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1d1m n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d1m s GLU 59 N -0.35 1.43 -0.32 1.61 -1.05 -0.42 -5.11 118.70 114.48 1d1m s GLU 59 Ca 0.00 -1.79 -0.09 0.00 -0.15 0.00 0.00 54.97 52.94 1d1m s GLU 59 Cb 0.00 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1d1m s GLU 59 CO 0.00 -0.47 0.14 0.08 0.95 0.00 0.00 175.26 175.96 1d1m s VAL 60 N -3.85 4.32 0.30 1.83 1.01 -1.26 -0.46 120.40 122.29 1d1m s VAL 60 Ca 0.39 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1d1m s VAL 60 Cb 0.05 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1d1m s VAL 60 CO 0.17 -0.01 0.04 -1.59 0.00 0.00 0.00 175.10 173.72 1d1m s LYS 61 N 1.55 1.58 0.58 2.72 -2.85 0.90 -4.92 119.74 119.31 1d1m s LYS 61 Ca 0.03 -1.86 -0.18 0.00 -1.00 0.00 0.00 55.97 52.96 1d1m s LYS 61 Cb -0.18 -0.81 -0.04 0.00 -2.06 0.00 0.00 37.83 34.74 1d1m s LYS 61 CO 0.05 -0.17 1.14 -2.14 0.10 0.00 0.00 175.35 174.33 1d1m s PRO 62 N -3.89 3.14 -0.04 1.78 0.02 -1.26 0.33 135.00 135.08 1d1m s PRO 62 Ca 0.35 1.59 -0.00 0.00 0.02 0.00 0.00 61.00 62.96 1d1m s PRO 62 Cb 0.08 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.65 1d1m s PRO 62 CO 0.14 -1.01 0.01 -0.46 -0.33 0.00 0.00 177.00 175.34 1d1m s TRP 63 N -1.88 0.41 0.69 6.54 -0.00 -0.88 -3.89 118.94 119.93 1d1m s TRP 63 Ca 0.72 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.10 56.75 1d1m s TRP 63 Cb -0.24 -0.55 0.15 0.00 -0.00 0.00 0.00 33.47 32.82 1d1m s TRP 63 CO 0.32 -0.20 0.94 -0.35 -0.00 0.00 0.00 176.95 177.66 1d1m n PRO 64 N 4.59 -0.37 0.00 5.86 -0.05 -1.26 -4.29 135.00 139.47 1d1m n PRO 64 Ca -0.17 -2.10 0.00 0.00 -0.05 0.00 0.00 63.50 61.17 1d1m n PRO 64 Cb 0.50 -0.76 0.00 0.00 -0.05 0.00 0.00 33.50 33.19 1d1m n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32