#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy n SER 2 N 0.00 1.84 -0.00 1.61 3.41 -1.26 -4.92 113.62 114.29 2dmy n SER 2 Ca 0.00 0.31 -0.01 0.00 -0.26 0.00 0.00 58.87 58.92 2dmy n SER 2 Cb 0.00 -0.72 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2dmy n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmy n SER 3 N -4.28 2.08 0.00 4.04 7.64 -1.26 -5.11 113.62 116.73 2dmy n SER 3 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2dmy n SER 3 Cb 0.62 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2dmy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmy n GLY 4 N 3.22 1.78 3.71 0.23 0.00 -1.26 -5.08 105.19 107.79 2dmy n GLY 4 Ca -0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2dmy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmy s SER 5 N 0.00 6.50 0.15 1.61 1.04 -1.26 -4.98 113.70 116.76 2dmy s SER 5 Ca 0.00 2.68 -0.21 0.00 0.48 0.00 0.00 55.95 58.91 2dmy s SER 5 Cb 0.00 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2dmy s SER 5 CO 0.00 -0.92 0.53 -0.94 0.98 0.00 0.00 173.24 172.89 2dmy s SER 6 N 1.84 -0.46 0.00 7.02 1.04 -1.26 -5.05 113.70 116.83 2dmy s SER 6 Ca 0.75 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2dmy s SER 6 Cb -0.45 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dmy s SER 6 CO 0.33 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2dmy n GLY 7 N -0.31 2.40 3.45 7.32 0.00 -1.26 -5.02 105.19 111.77 2dmy n GLY 7 Ca -0.17 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2dmy n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmy s ARG 8 N 0.00 3.56 0.12 1.61 0.52 -1.26 -5.11 118.95 118.39 2dmy s ARG 8 Ca 0.00 -0.58 -0.08 0.00 -0.52 0.00 0.00 55.73 54.55 2dmy s ARG 8 Cb 0.00 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.59 2dmy s ARG 8 CO 0.00 0.21 0.42 0.15 0.02 0.00 0.00 175.30 176.10 2dmy s LYS 9 N 0.41 3.73 0.30 3.54 1.02 -1.26 -5.10 119.74 122.37 2dmy s LYS 9 Ca -0.06 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.09 2dmy s LYS 9 Cb -0.15 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2dmy s LYS 9 CO 0.04 0.49 0.01 0.96 -0.92 0.00 0.00 175.35 175.93 2dmy s ILE 10 N -1.54 1.35 -0.27 2.17 -4.36 -1.26 -5.08 121.20 112.21 2dmy s ILE 10 Ca 0.38 -2.05 -0.14 0.00 -0.26 0.00 0.00 60.65 58.58 2dmy s ILE 10 Cb -0.13 -2.61 -0.11 0.00 1.25 0.00 0.00 42.46 40.86 2dmy s ILE 10 CO 0.21 -0.16 -0.36 0.18 0.24 0.00 0.00 174.94 175.05 2dmy n LEU 11 N -0.62 1.94 -4.62 0.37 4.32 -1.26 -4.92 117.00 112.22 2dmy n LEU 11 Ca -0.04 0.34 -0.39 0.00 -0.02 0.00 0.00 56.01 55.90 2dmy n LEU 11 Cb 0.65 -0.81 -0.08 0.00 -1.62 0.00 0.00 43.42 41.56 2dmy n LEU 11 CO 0.41 0.49 0.13 1.51 -1.22 0.00 0.00 177.39 178.71 2dmy s ASP 12 N -7.33 6.34 0.19 -1.43 -4.77 -1.26 -5.07 116.67 103.35 2dmy s ASP 12 Ca -0.38 0.40 0.09 0.00 -3.30 0.00 0.00 52.55 49.36 2dmy s ASP 12 Cb 0.14 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.69 2dmy s ASP 12 CO 0.48 -0.20 -0.06 -0.55 0.70 0.00 0.00 175.17 175.53 2dmy s SER 13 N 1.52 4.38 0.33 2.11 0.15 -1.26 -5.14 113.70 115.79 2dmy s SER 13 Ca 0.18 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.35 2dmy s SER 13 Cb -0.16 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.33 2dmy s SER 13 CO 0.09 0.08 0.18 -0.54 1.20 0.00 0.00 173.24 174.26 2dmy s LYS 14 N -2.99 2.48 -1.15 5.44 1.02 -1.26 -4.61 119.74 118.67 2dmy s LYS 14 Ca 0.26 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2dmy s LYS 14 Cb -0.08 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 2dmy s LYS 14 CO 0.17 0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.72 2dmy n ALA 15 N -1.21 -0.37 -2.52 5.17 0.00 -1.26 -5.01 120.51 115.31 2dmy n ALA 15 Ca -0.03 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2dmy n ALA 15 Cb 0.61 -1.56 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 2dmy n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dmy s ILE 16 N -2.64 3.23 -1.69 0.00 -1.09 -1.26 -4.55 121.20 113.20 2dmy s ILE 16 Ca 0.00 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2dmy s ILE 16 Cb 0.00 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2dmy s ILE 16 CO 0.00 0.47 0.00 -0.67 -1.23 0.00 0.00 174.94 173.51 2dmy n ASP 17 N 1.88 -5.34 0.00 3.58 2.03 -1.26 -4.84 116.55 112.60 2dmy n ASP 17 Ca -0.16 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2dmy n ASP 17 Cb 0.52 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dmy n LEU 18 N -2.51 0.00 0.32 -2.67 4.77 -1.26 -4.73 117.00 110.91 2dmy n LEU 18 Ca -0.21 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2dmy n LEU 18 Cb 0.65 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.21 2dmy n LEU 18 CO 0.26 -0.47 1.05 0.00 -1.33 0.00 0.00 177.39 176.91 2dmy h MET 19 N 0.00 0.00 -0.19 3.23 -0.00 -1.88 0.63 114.93 116.71 2dmy h MET 19 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2dmy h MET 19 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2dmy h MET 19 CO 0.00 0.00 0.09 -0.91 -0.00 0.00 0.00 176.91 176.09 2dmy h ASN 20 N 0.00 0.14 -0.70 -0.10 -0.26 -1.94 -2.73 115.58 110.00 2dmy h ASN 20 Ca 0.00 0.01 0.23 0.00 -0.56 0.00 0.00 56.30 55.97 2dmy h ASN 20 Cb 1.17 -0.02 -0.13 0.00 -1.06 0.00 0.00 38.32 38.28 2dmy h ASN 20 CO 0.00 0.11 0.13 0.00 -1.06 0.00 0.00 177.43 176.61 2dmy n ALA 21 N -2.19 0.48 0.24 -0.83 0.00 0.21 -0.02 120.51 118.41 2dmy n ALA 21 Ca -0.03 0.74 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2dmy n ALA 21 Cb 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 2dmy n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dmy h LEU 22 N 0.00 -0.78 -0.86 0.00 3.38 -1.68 -2.22 115.31 113.16 2dmy h LEU 22 Ca 0.48 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.70 2dmy h LEU 22 Cb 1.10 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 2dmy h LEU 22 CO -0.62 -0.45 0.35 0.24 0.09 0.00 0.00 178.44 178.06 2dmy h MET 23 N -0.71 0.39 0.12 1.13 2.86 -0.55 -1.96 114.93 116.21 2dmy h MET 23 Ca -0.06 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2dmy h MET 23 Cb 0.57 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 2dmy h MET 23 CO 0.04 0.26 -0.47 0.00 1.06 0.00 0.00 176.91 177.81 2dmy h ARG 24 N 0.40 -0.64 -0.84 1.72 2.47 -0.93 0.36 114.38 116.92 2dmy h ARG 24 Ca 0.52 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 59.50 2dmy h ARG 24 Cb 0.94 0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 29.26 2dmy h ARG 24 CO -0.50 -0.43 0.11 1.25 0.56 0.00 0.00 179.97 180.96 2dmy h LEU 25 N -0.67 -0.20 -0.56 3.04 5.85 -0.75 0.35 115.31 122.37 2dmy h LEU 25 Ca -0.01 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2dmy h LEU 25 Cb 0.67 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2dmy h LEU 25 CO -0.25 -0.19 -0.04 0.78 -0.34 0.00 0.00 178.44 178.40 2dmy h ASN 26 N 0.14 1.00 0.56 1.25 2.35 -1.06 0.31 115.58 120.13 2dmy h ASN 26 Ca 0.50 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2dmy h ASN 26 Cb 0.97 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2dmy h ASN 26 CO -0.69 1.09 -0.39 1.56 -1.65 0.00 0.00 177.43 177.34 2dmy h GLN 27 N 0.89 -0.88 -0.34 0.81 1.08 0.36 -0.77 115.11 116.26 2dmy h GLN 27 Ca 0.15 0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 2dmy h GLN 27 Cb 0.60 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2dmy h GLN 27 CO 0.04 -0.59 -0.33 -0.84 -0.95 0.00 0.00 178.83 176.16 2dmy h ILE 28 N -0.91 1.28 -3.11 2.54 3.07 -1.13 -3.37 117.51 115.88 2dmy h ILE 28 Ca -0.06 -1.49 -0.62 0.00 1.55 0.00 0.00 64.86 64.24 2dmy h ILE 28 Cb 0.76 1.38 -0.41 0.00 -0.27 0.00 0.00 36.82 38.28 2dmy h ILE 28 CO 0.04 0.49 -0.69 -0.13 -1.05 0.00 0.00 178.15 176.81 2dmy s ARG 29 N -4.42 1.68 0.45 0.16 1.81 0.11 -5.10 118.95 113.65 2dmy s ARG 29 Ca -0.09 -2.43 -0.23 0.00 -1.72 0.00 0.00 55.73 51.26 2dmy s ARG 29 Cb 0.12 -2.80 -0.07 0.00 -0.45 0.00 0.00 34.95 31.75 2dmy s ARG 29 CO 0.85 -1.17 1.17 -1.25 -0.68 0.00 0.00 175.30 174.21 2dmy s PRO 30 N -0.16 3.78 -0.33 3.54 0.04 -0.31 -4.03 135.00 137.53 2dmy s PRO 30 Ca 0.19 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2dmy s PRO 30 Cb -0.21 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 2dmy s PRO 30 CO -0.03 -0.53 0.29 0.41 0.04 0.00 0.00 177.00 177.17 2dmy n GLY 31 N 0.46 0.26 3.93 0.56 0.00 -1.26 -5.06 105.19 104.09 2dmy n GLY 31 Ca 0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2dmy n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmy s LEU 32 N -3.71 4.10 -0.12 0.99 1.43 -1.26 -5.10 118.68 115.00 2dmy s LEU 32 Ca 0.13 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 2dmy s LEU 32 Cb -0.02 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.97 2dmy s LEU 32 CO 0.23 -0.20 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 2dmy s GLN 33 N -3.91 0.85 -0.13 1.70 -2.07 -1.26 -5.13 119.66 109.70 2dmy s GLN 33 Ca 0.40 -0.15 -0.04 0.00 -1.82 0.00 0.00 55.36 53.74 2dmy s GLN 33 Cb -0.10 -1.48 -0.03 0.00 -1.09 0.00 0.00 33.01 30.31 2dmy s GLN 33 CO 0.33 -0.40 0.01 0.71 -1.32 0.00 0.00 175.29 174.61 2dmy s TYR 34 N 1.87 3.15 0.04 9.60 1.51 -1.26 -4.49 117.35 127.77 2dmy s TYR 34 Ca 0.03 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.15 2dmy s TYR 34 Cb -0.14 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2dmy s TYR 34 CO -0.07 0.23 -0.14 0.21 -1.11 0.00 0.00 175.55 174.67 2dmy s LYS 35 N -0.15 0.93 -0.67 -0.62 2.47 -0.97 -4.95 119.74 115.77 2dmy s LYS 35 Ca 0.05 -0.78 -0.20 0.00 -1.56 0.00 0.00 55.97 53.48 2dmy s LYS 35 Cb -0.13 -0.94 0.10 0.00 -1.46 0.00 0.00 37.83 35.40 2dmy s LYS 35 CO 0.02 0.23 0.86 -1.17 0.16 0.00 0.00 175.35 175.45 2dmy s LEU 36 N -1.19 5.02 0.21 5.43 2.96 -1.26 -1.27 118.68 128.59 2dmy s LEU 36 Ca 0.01 -1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 52.41 2dmy s LEU 36 Cb -0.08 -2.35 0.28 0.00 0.50 0.00 0.00 46.19 44.54 2dmy s LEU 36 CO 0.01 -1.21 1.66 -0.07 -1.32 0.00 0.00 176.35 175.42 2dmy h LEU 37 N 10.47 -0.34 -7.00 -0.68 3.38 -1.30 -3.45 115.31 116.38 2dmy h LEU 37 Ca -0.22 0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.14 2dmy h LEU 37 Cb 1.07 0.29 -0.21 0.00 0.09 0.00 0.00 40.66 41.91 2dmy h LEU 37 CO 1.12 -0.14 0.79 -0.55 0.09 0.00 0.00 178.44 179.76 2dmy s SER 38 N -5.23 -0.15 -0.06 -0.43 0.15 -1.25 -5.07 113.70 101.66 2dmy s SER 38 Ca -0.14 0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.60 2dmy s SER 38 Cb 0.19 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2dmy s SER 38 CO 0.74 -0.23 -0.17 -1.58 1.20 0.00 0.00 173.24 173.20 2dmy s GLN 39 N -2.08 1.99 0.18 5.44 0.74 -1.26 -2.52 119.66 122.16 2dmy s GLN 39 Ca 0.08 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.90 2dmy s GLN 39 Cb -0.01 -1.65 -0.05 0.00 1.10 0.00 0.00 33.01 32.41 2dmy s GLN 39 CO -0.05 0.17 0.02 -1.12 -0.55 0.00 0.00 175.29 173.77 2dmy s SER 40 N 0.28 1.13 0.00 6.67 0.01 -1.07 -4.94 113.70 115.78 2dmy s SER 40 Ca -0.10 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2dmy s SER 40 Cb -0.14 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2dmy s SER 40 CO 0.04 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2dmy n GLY 41 N -0.27 -2.84 0.00 3.44 0.00 -1.26 0.53 105.19 104.79 2dmy n GLY 41 Ca -0.05 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2dmy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmy n PRO 42 N -0.06 -0.96 -0.03 1.61 -0.04 -1.25 -4.78 135.00 129.49 2dmy n PRO 42 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2dmy n PRO 42 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 2dmy n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dmy n VAL 43 N -2.45 1.56 0.01 0.52 3.14 -1.26 -2.84 118.33 117.02 2dmy n VAL 43 Ca 0.00 -0.80 -0.12 0.00 -2.96 0.00 0.00 64.34 60.46 2dmy n VAL 43 Cb 0.00 -0.96 -0.14 0.00 -1.06 0.00 0.00 33.84 31.68 2dmy n VAL 43 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 2dmy h HIS 44 N 0.00 0.16 -1.54 1.45 2.07 -1.99 -3.38 115.15 111.92 2dmy h HIS 44 Ca -0.31 -0.11 -0.55 0.00 -2.85 0.00 0.00 60.37 56.55 2dmy h HIS 44 Cb 2.02 -0.01 -0.42 0.00 2.57 0.00 0.00 27.41 31.57 2dmy h HIS 44 CO 0.00 1.19 -0.80 0.00 -3.07 0.00 0.00 177.93 175.25 2dmy n ALA 45 N -2.62 4.72 -1.20 6.11 0.00 -1.26 -5.09 120.51 121.17 2dmy n ALA 45 Ca -0.17 -4.18 -0.30 0.00 0.00 0.00 0.00 53.44 48.80 2dmy n ALA 45 Cb 1.04 -0.63 0.14 0.00 0.00 0.00 0.00 19.45 19.99 2dmy n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmy s PRO 46 N -3.45 1.29 -0.30 0.00 0.04 -1.13 -3.95 135.00 127.50 2dmy s PRO 46 Ca 0.45 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.36 2dmy s PRO 46 Cb 0.39 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 33.20 2dmy s PRO 46 CO -0.15 -2.22 -0.02 0.08 0.04 0.00 0.00 177.00 174.73 2dmy s VAL 47 N -2.93 2.14 -0.54 -0.36 1.01 0.19 -4.23 120.40 115.67 2dmy s VAL 47 Ca 0.63 -1.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 2dmy s VAL 47 Cb -0.18 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2dmy s VAL 47 CO 0.57 -0.33 0.82 -0.36 0.00 0.00 0.00 175.10 175.79 2dmy s PHE 48 N 1.04 2.89 -0.50 5.22 0.40 0.01 -2.61 117.98 124.44 2dmy s PHE 48 Ca 0.02 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 55.87 2dmy s PHE 48 Cb -0.19 -3.87 0.04 0.00 0.51 0.00 0.00 43.02 39.50 2dmy s PHE 48 CO -0.07 -1.24 0.74 0.99 0.70 0.00 0.00 175.22 176.34 2dmy s THR 49 N 3.42 4.69 0.49 0.64 2.01 -1.05 -2.24 115.64 123.61 2dmy s THR 49 Ca 0.24 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2dmy s THR 49 Cb -0.15 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 68.02 2dmy s THR 49 CO 0.16 -0.84 0.67 -0.04 -0.69 0.00 0.00 174.62 173.88 2dmy s MET 50 N 3.15 2.68 -0.26 4.92 -1.94 -0.82 -0.87 119.30 126.15 2dmy s MET 50 Ca 0.23 -1.02 -0.23 0.00 -1.71 0.00 0.00 55.69 52.95 2dmy s MET 50 Cb -0.15 -2.62 0.07 0.00 2.01 0.00 0.00 34.83 34.13 2dmy s MET 50 CO 0.17 -0.50 0.69 -1.54 -0.01 0.00 0.00 175.02 173.83 2dmy s SER 51 N -4.39 -0.73 0.01 3.03 1.04 -0.40 -2.79 113.70 109.48 2dmy s SER 51 Ca 0.56 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 2dmy s SER 51 Cb -0.10 1.40 -0.01 0.00 0.10 0.00 0.00 66.02 67.41 2dmy s SER 51 CO 0.36 -0.24 0.05 0.54 0.98 0.00 0.00 173.24 174.93 2dmy s VAL 52 N 0.42 0.10 -0.29 5.02 0.11 -1.09 -2.30 120.40 122.37 2dmy s VAL 52 Ca -0.00 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 2dmy s VAL 52 Cb -0.05 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2dmy s VAL 52 CO 0.00 -0.45 0.06 1.51 -3.33 0.00 0.00 175.10 172.89 2dmy s ASP 53 N -1.46 5.02 -0.05 3.54 1.47 -1.26 -1.11 116.67 122.82 2dmy s ASP 53 Ca -0.15 -0.70 0.01 0.00 1.18 0.00 0.00 52.55 52.90 2dmy s ASP 53 Cb -0.09 -1.85 0.02 0.00 -0.34 0.00 0.00 42.92 40.66 2dmy s ASP 53 CO -0.00 -0.17 -0.06 -0.69 0.68 0.00 0.00 175.17 174.92 2dmy s VAL 54 N 1.48 0.66 -1.64 2.11 1.01 -0.55 -4.82 120.40 118.66 2dmy s VAL 54 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 2dmy s VAL 54 Cb -0.17 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 35.68 2dmy s VAL 54 CO 0.02 0.25 0.77 0.47 0.00 0.00 0.00 175.10 176.60 2dmy n ASP 55 N 3.91 -3.14 -1.60 3.32 8.00 -1.26 0.52 116.55 126.31 2dmy n ASP 55 Ca -0.24 -0.97 -0.15 0.00 0.71 0.00 0.00 54.79 54.14 2dmy n ASP 55 Cb 0.51 -2.99 -0.01 0.00 -0.02 0.00 0.00 41.12 38.61 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmy n GLY 56 N -1.53 -0.04 2.88 0.44 0.00 -1.26 -5.00 105.19 100.68 2dmy n GLY 56 Ca 0.01 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2dmy n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmy s THR 57 N -2.71 1.11 -0.35 2.61 2.01 0.18 -5.10 115.64 113.39 2dmy s THR 57 Ca 0.00 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.05 2dmy s THR 57 Cb 0.00 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.19 2dmy s THR 57 CO 0.00 0.05 0.84 -0.89 -0.69 0.00 0.00 174.62 173.93 2dmy s THR 58 N 1.62 4.69 0.26 -0.82 2.01 -1.26 -1.48 115.64 120.67 2dmy s THR 58 Ca -0.01 1.06 0.06 0.00 0.31 0.00 0.00 61.69 63.12 2dmy s THR 58 Cb -0.16 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2dmy s THR 58 CO -0.07 -0.43 0.35 -0.31 -0.69 0.00 0.00 174.62 173.47 2dmy s TYR 59 N 3.20 3.30 -0.14 4.92 1.51 -0.27 -4.95 117.35 124.92 2dmy s TYR 59 Ca 0.34 -0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 56.26 2dmy s TYR 59 Cb -0.13 -1.63 0.07 0.00 -0.11 0.00 0.00 41.96 40.16 2dmy s TYR 59 CO 0.16 0.36 0.30 -1.21 -1.11 0.00 0.00 175.55 174.06 2dmy s GLU 60 N -3.99 0.21 -0.06 -0.62 2.02 -1.26 -2.69 118.70 112.30 2dmy s GLU 60 Ca 0.36 0.78 -0.00 0.00 0.02 0.00 0.00 54.97 56.13 2dmy s GLU 60 Cb -0.09 0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.20 2dmy s GLU 60 CO 0.29 -0.25 -0.03 0.00 0.02 0.00 0.00 175.26 175.29 2dmy s ALA 61 N 2.20 0.75 -0.14 5.21 0.00 -1.12 -4.90 121.76 123.76 2dmy s ALA 61 Ca -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 2dmy s ALA 61 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2dmy s ALA 61 CO -0.10 -0.26 0.04 -1.54 0.00 0.00 0.00 175.76 173.90 2dmy s SER 62 N 1.48 5.50 0.34 0.00 1.04 -1.26 -1.95 113.70 118.86 2dmy s SER 62 Ca -0.02 0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.61 2dmy s SER 62 Cb -0.13 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 2dmy s SER 62 CO -0.03 0.28 0.31 0.61 0.98 0.00 0.00 173.24 175.39 2dmy n GLY 63 N 2.85 2.79 0.21 7.32 0.00 -0.95 -4.87 105.19 112.54 2dmy n GLY 63 Ca -0.18 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.05 2dmy n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmy h PRO 64 N 0.00 0.00 0.00 1.61 0.13 -1.90 0.08 132.00 131.92 2dmy h PRO 64 Ca -0.24 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.53 2dmy h PRO 64 Cb 1.22 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 2dmy h PRO 64 CO 0.35 0.29 -0.34 0.45 -0.23 0.00 0.00 178.00 178.52 2dmy n SER 65 N -3.60 -0.02 0.06 1.44 2.88 -1.26 -4.42 113.62 108.70 2dmy n SER 65 Ca -0.01 -2.57 -0.21 0.00 -1.33 0.00 0.00 58.87 54.75 2dmy n SER 65 Cb 0.42 1.07 -0.12 0.00 -0.75 0.00 0.00 64.21 64.82 2dmy n SER 65 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2dmy h LYS 66 N 0.00 0.56 -0.93 -1.46 1.63 -1.91 -2.68 116.57 111.79 2dmy h LYS 66 Ca -0.19 -0.70 -0.01 0.00 -0.85 0.00 0.00 60.65 58.90 2dmy h LYS 66 Cb 0.87 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 2dmy h LYS 66 CO 0.28 1.30 0.54 1.57 -3.45 0.00 0.00 179.45 179.69 2dmy h LYS 67 N 0.15 1.27 -0.34 1.90 2.10 -1.98 -1.94 116.57 117.72 2dmy h LYS 67 Ca -0.15 -0.13 -0.14 0.00 -2.00 0.00 0.00 60.65 58.24 2dmy h LYS 67 Cb 1.71 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.77 2dmy h LYS 67 CO 0.20 0.90 -0.32 1.79 -2.00 0.00 0.00 179.45 180.02 2dmy h THR 68 N 1.28 1.29 0.28 0.07 1.35 -1.97 -1.99 112.91 113.22 2dmy h THR 68 Ca 0.33 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2dmy h THR 68 Cb -0.02 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2dmy h THR 68 CO -0.06 0.49 -0.22 0.00 -0.25 0.00 0.00 175.52 175.48 2dmy h ALA 69 N 0.74 -0.49 -0.76 6.62 0.00 -1.15 0.14 119.26 124.36 2dmy h ALA 69 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dmy h ALA 69 Cb 0.90 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2dmy h ALA 69 CO 0.08 -0.80 0.42 0.87 0.00 0.00 0.00 179.25 179.83 2dmy h LYS 70 N -0.51 1.04 0.17 0.00 1.57 -1.41 -2.27 116.57 115.16 2dmy h LYS 70 Ca -0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2dmy h LYS 70 Cb 0.45 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2dmy h LYS 70 CO -0.01 0.75 -0.08 1.25 -0.57 0.00 0.00 179.45 180.79 2dmy h LEU 71 N 1.05 -0.19 -0.11 2.94 5.85 -0.98 -3.00 115.31 120.86 2dmy h LEU 71 Ca 0.27 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2dmy h LEU 71 Cb 0.01 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2dmy h LEU 71 CO -0.05 0.05 -0.29 0.45 -0.34 0.00 0.00 178.44 178.26 2dmy h HIS 72 N -0.43 -0.78 -0.52 1.25 3.86 -0.54 -2.80 115.15 115.19 2dmy h HIS 72 Ca -0.02 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 2dmy h HIS 72 Cb 0.34 0.36 -0.07 0.00 1.06 0.00 0.00 27.41 29.09 2dmy h HIS 72 CO -0.01 -0.37 -0.42 0.28 0.86 0.00 0.00 177.93 178.27 2dmy h VAL 73 N -0.37 0.00 -0.99 2.45 2.07 -1.41 -1.28 116.25 116.73 2dmy h VAL 73 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 2dmy h VAL 73 Cb 0.51 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.15 2dmy h VAL 73 CO -0.32 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 176.76 2dmy h ALA 74 N -0.14 -0.29 -0.98 1.67 0.00 -1.36 0.22 119.26 118.38 2dmy h ALA 74 Ca 0.09 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.36 2dmy h ALA 74 Cb 0.37 1.24 -0.18 0.00 0.00 0.00 0.00 17.79 19.21 2dmy h ALA 74 CO -0.57 -0.84 -0.27 0.28 0.00 0.00 0.00 179.25 177.85 2dmy h VAL 75 N -0.01 0.02 0.24 0.00 2.07 -1.06 0.15 116.25 117.66 2dmy h VAL 75 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.75 2dmy h VAL 75 Cb 0.48 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2dmy h VAL 75 CO -0.95 0.00 -0.28 0.11 0.02 0.00 0.00 177.57 176.47 2dmy h LYS 76 N -0.00 -0.55 -0.60 1.57 1.57 -0.35 -1.49 116.57 116.72 2dmy h LYS 76 Ca 0.45 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.38 2dmy h LYS 76 Cb 0.70 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 33.01 2dmy h LYS 76 CO -1.01 -0.37 -0.23 0.28 -0.57 0.00 0.00 179.45 177.56 2dmy h VAL 77 N -0.57 0.29 -0.33 0.50 2.07 -0.29 0.31 116.25 118.23 2dmy h VAL 77 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2dmy h VAL 77 Cb 0.54 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2dmy h VAL 77 CO -0.08 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.54 2dmy h LEU 78 N -0.07 0.09 -1.02 2.57 3.38 -0.98 -1.35 115.31 117.93 2dmy h LEU 78 Ca 0.28 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dmy h LEU 78 Cb 0.50 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2dmy h LEU 78 CO -0.66 0.09 0.48 1.56 0.09 0.00 0.00 178.44 180.00 2dmy h GLN 79 N 0.23 1.17 -0.41 1.13 4.20 -0.01 0.25 115.11 121.67 2dmy h GLN 79 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2dmy h GLN 79 Cb 0.14 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2dmy h GLN 79 CO -0.17 0.84 0.24 0.00 -0.67 0.00 0.00 178.83 179.07 2dmy h ALA 80 N 1.35 0.53 -0.08 3.87 0.00 0.26 -2.63 119.26 122.55 2dmy h ALA 80 Ca 0.30 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2dmy h ALA 80 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2dmy h ALA 80 CO -0.05 0.04 -0.50 0.52 0.00 0.00 0.00 179.25 179.25 2dmy h MET 81 N 0.54 0.22 0.00 0.00 2.86 -0.93 -3.47 114.93 114.16 2dmy h MET 81 Ca 0.15 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2dmy h MET 81 Cb 0.03 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2dmy h MET 81 CO -0.03 0.68 0.00 0.41 1.06 0.00 0.00 176.91 179.03 2dmy n GLY 82 N 0.03 1.59 3.79 8.32 0.00 -0.08 -5.11 105.19 113.72 2dmy n GLY 82 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2dmy n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dmy s TYR 83 N -2.00 3.13 -0.04 1.61 2.02 0.70 -5.00 117.35 117.78 2dmy s TYR 83 Ca 0.00 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 2dmy s TYR 83 Cb 0.00 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 2dmy s TYR 83 CO 0.00 0.52 1.48 -1.25 -1.57 0.00 0.00 175.55 174.73 2dmy s PRO 84 N -3.06 4.23 0.00 -1.71 0.04 -1.26 -4.12 135.00 129.13 2dmy s PRO 84 Ca 0.31 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2dmy s PRO 84 Cb -0.10 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2dmy s PRO 84 CO 0.23 -0.70 0.00 0.25 0.04 0.00 0.00 177.00 176.82 2dmy n THR 85 N 5.06 0.00 -1.59 1.26 -2.24 -1.26 -5.00 114.28 110.51 2dmy n THR 85 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2dmy n THR 85 Cb 0.43 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 2dmy n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmy n GLY 86 N 3.06 0.68 3.63 3.38 0.00 -1.26 -5.06 105.19 109.61 2dmy n GLY 86 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 2dmy n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dmy s PHE 87 N -2.55 -0.67 0.16 1.61 2.19 -1.26 -5.16 117.98 112.30 2dmy s PHE 87 Ca 0.00 1.60 0.06 0.00 0.33 0.00 0.00 56.93 58.92 2dmy s PHE 87 Cb 0.00 0.33 -0.04 0.00 -1.31 0.00 0.00 43.02 42.00 2dmy s PHE 87 CO 0.00 -0.32 -0.13 0.16 1.83 0.00 0.00 175.22 176.75 2dmy s ASP 88 N 0.44 2.18 -0.74 6.13 -4.77 -1.26 -5.07 116.67 113.58 2dmy s ASP 88 Ca 0.00 -0.94 0.02 0.00 -3.30 0.00 0.00 52.55 48.33 2dmy s ASP 88 Cb -0.05 -0.08 0.36 0.00 -1.09 0.00 0.00 42.92 42.06 2dmy s ASP 88 CO -0.04 -0.20 1.49 0.00 0.70 0.00 0.00 175.17 177.12 2dmy n ALA 89 N 0.00 5.61 -1.68 2.11 0.00 -1.26 -4.70 120.51 120.59 2dmy n ALA 89 Ca -0.11 -4.45 -0.13 0.00 0.00 0.00 0.00 53.44 48.75 2dmy n ALA 89 Cb 0.59 -1.40 0.12 0.00 0.00 0.00 0.00 19.45 18.77 2dmy n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dmy n ASP 90 N -0.32 3.73 -3.81 0.00 2.03 -1.26 -5.07 116.55 111.85 2dmy n ASP 90 Ca 0.43 -3.80 -0.38 0.00 0.52 0.00 0.00 54.79 51.55 2dmy n ASP 90 Cb 0.38 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2dmy n ILE 91 N -0.96 0.85 -3.70 5.18 -5.35 -1.26 -4.90 119.36 109.22 2dmy n ILE 91 Ca 0.37 -0.44 -0.37 0.00 -0.27 0.00 0.00 62.75 62.04 2dmy n ILE 91 Cb 0.91 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 2dmy n ILE 91 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2dmy s SER 92 N -0.88 5.38 -0.06 7.28 1.04 -1.26 -5.05 113.70 120.16 2dmy s SER 92 Ca 0.53 -2.40 -0.27 0.00 0.48 0.00 0.00 55.95 54.30 2dmy s SER 92 Cb -0.62 -1.88 0.06 0.00 0.10 0.00 0.00 66.02 63.67 2dmy s SER 92 CO 0.54 -0.49 0.59 -0.83 0.98 0.00 0.00 173.24 174.03 2dmy s GLY 93 N 1.48 -0.47 1.05 7.32 0.00 -1.26 -5.17 107.32 110.27 2dmy s GLY 93 Ca 0.12 1.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.84 2dmy s GLY 93 CO -0.04 0.82 1.10 2.56 0.00 0.00 0.00 173.10 177.54 2dmy s PRO 94 N -1.08 -0.00 -0.29 2.90 0.04 -1.26 -5.04 135.00 130.26 2dmy s PRO 94 Ca -0.11 0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.34 2dmy s PRO 94 Cb -0.02 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.90 2dmy s PRO 94 CO 0.08 -2.99 -0.04 0.45 0.04 0.00 0.00 177.00 174.54 2dmy s SER 95 N -3.53 4.60 0.26 6.66 0.15 -1.26 -4.99 113.70 115.59 2dmy s SER 95 Ca 0.67 -1.71 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 2dmy s SER 95 Cb -0.17 -1.59 0.57 0.00 -1.71 0.00 0.00 66.02 63.12 2dmy s SER 95 CO 0.57 -0.27 1.71 0.77 1.20 0.00 0.00 173.24 177.22 2dmy h SER 96 N 7.71 0.24 0.00 5.45 4.64 -2.09 -3.58 113.55 125.92 2dmy h SER 96 Ca -0.13 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dmy h SER 96 Cb 1.03 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dmy h SER 96 CO 0.49 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.09