#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 3.24 -3.83 1.61 3.41 -1.26 -5.05 113.62 111.74 2dmy n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2dmy n SER 2 Cb 0.00 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.20 -2.66 -3.17 4.04 7.64 -1.26 -4.94 113.62 111.07 2dmy n SER 3 Ca 0.00 -1.02 -0.23 0.00 1.01 0.00 0.00 58.87 58.63 2dmy n SER 3 Cb 0.39 -3.15 -0.06 0.00 -1.01 0.00 0.00 64.21 60.37 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 -1.85 2.56 2.86 0.23 0.00 -1.26 -5.08 105.19 102.65 2dmy n GLY 4 Ca -0.21 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.08 0.80 -0.04 1.61 1.04 -1.26 -5.13 113.70 109.63 2dmy s SER 5 Ca 0.35 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 2dmy s SER 5 Cb 0.16 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2dmy s SER 5 CO -0.13 -0.26 0.04 -0.44 0.98 0.00 0.00 173.24 173.44 2dmy s SER 6 N 2.32 1.09 0.16 7.02 0.01 -1.26 -5.15 113.70 117.89 2dmy s SER 6 Ca 0.03 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2dmy s SER 6 Cb -0.13 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2dmy s SER 6 CO -0.07 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dmy n GLY 7 N 5.12 1.27 3.42 3.44 0.00 -1.26 -5.14 105.19 112.03 2dmy n GLY 7 Ca -0.07 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2dmy n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dmy s ARG 8 N -0.95 0.80 -0.18 1.61 6.06 -1.26 -5.17 118.95 119.86 2dmy s ARG 8 Ca 0.00 0.32 -0.29 0.00 -2.50 0.00 0.00 55.73 53.26 2dmy s ARG 8 Cb 0.00 0.38 0.11 0.00 0.06 0.00 0.00 34.95 35.50 2dmy s ARG 8 CO 0.00 -0.20 0.93 0.21 -2.50 0.00 0.00 175.30 173.75 2dmy s LYS 9 N -0.70 0.67 -0.16 5.12 2.20 -1.26 -5.15 119.74 120.45 2dmy s LYS 9 Ca -0.08 0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2dmy s LYS 9 Cb -0.03 0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.65 2dmy s LYS 9 CO 0.05 -0.17 -0.04 0.42 -0.36 0.00 0.00 175.35 175.25 2dmy s ILE 10 N -0.66 1.01 0.28 5.43 1.01 -1.26 -5.13 121.20 121.88 2dmy s ILE 10 Ca -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2dmy s ILE 10 Cb -0.02 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2dmy s ILE 10 CO 0.01 0.10 0.54 -0.22 0.00 0.00 0.00 174.94 175.37 2dmy s LEU 11 N 1.67 4.07 -0.67 2.97 2.96 -1.26 -5.06 118.68 123.36 2dmy s LEU 11 Ca 0.01 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 2dmy s LEU 11 Cb -0.15 -3.48 0.17 0.00 0.50 0.00 0.00 46.19 43.22 2dmy s LEU 11 CO -0.08 -0.18 0.49 -1.81 -1.32 0.00 0.00 176.35 173.45 2dmy s ASP 12 N -3.20 5.24 -0.01 3.68 1.11 -1.26 -5.03 116.67 117.20 2dmy s ASP 12 Ca 0.43 -3.14 -0.28 0.00 0.18 0.00 0.00 52.55 49.74 2dmy s ASP 12 Cb -0.11 -1.82 0.10 0.00 1.07 0.00 0.00 42.92 42.16 2dmy s ASP 12 CO 0.30 -0.29 0.82 -0.44 1.18 0.00 0.00 175.17 176.74 2dmy s SER 13 N 0.22 -0.46 -0.33 0.27 0.01 -1.26 -5.12 113.70 107.04 2dmy s SER 13 Ca 0.20 0.21 -0.42 0.00 1.31 0.00 0.00 55.95 57.25 2dmy s SER 13 Cb -0.17 0.44 -0.17 0.00 0.21 0.00 0.00 66.02 66.33 2dmy s SER 13 CO -0.06 -0.63 1.71 2.29 0.41 0.00 0.00 173.24 176.96 2dmy n LYS 14 N 0.14 0.88 -3.21 12.44 2.85 -1.26 -4.91 118.16 125.10 2dmy n LYS 14 Ca -0.12 0.32 0.04 0.00 -1.05 0.00 0.00 58.31 57.50 2dmy n LYS 14 Cb 0.61 -1.96 -0.02 0.00 -0.65 0.00 0.00 35.03 33.00 2dmy n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dmy s ALA 15 N 3.38 -3.26 -0.43 0.58 0.00 -1.26 -5.12 121.76 115.65 2dmy s ALA 15 Ca 1.00 1.61 -0.40 0.00 0.00 0.00 0.00 51.96 54.17 2dmy s ALA 15 Cb -1.17 -2.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 2dmy s ALA 15 CO 0.69 -1.29 1.38 -0.89 0.00 0.00 0.00 175.76 175.66 2dmy n ILE 16 N 5.25 0.00 -1.20 0.00 2.08 -1.26 -4.62 119.36 119.62 2dmy n ILE 16 Ca -0.07 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 62.99 2dmy n ILE 16 Cb 0.54 -0.43 -0.12 0.00 -0.75 0.00 0.00 39.64 38.88 2dmy n ILE 16 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2dmy n ASP 17 N 3.49 1.17 -0.07 4.38 5.75 -1.26 -4.55 116.55 125.46 2dmy n ASP 17 Ca 0.27 -2.47 -0.20 0.00 -0.01 0.00 0.00 54.79 52.38 2dmy n ASP 17 Cb -0.05 -1.29 -0.12 0.00 -1.03 0.00 0.00 41.12 38.63 2dmy n ASP 17 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2dmy h LEU 18 N 20.86 0.09 -1.82 -2.12 3.38 -2.01 -3.34 115.31 130.35 2dmy h LEU 18 Ca 0.09 -0.71 0.45 0.00 0.09 0.00 0.00 57.88 57.80 2dmy h LEU 18 Cb 0.89 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2dmy h LEU 18 CO 1.36 1.41 1.22 0.00 0.09 0.00 0.00 178.44 182.52 2dmy h MET 19 N -0.83 0.00 -0.94 1.13 -0.00 -1.97 0.11 114.93 112.43 2dmy h MET 19 Ca -0.26 0.00 0.28 0.00 -0.00 0.00 0.00 59.70 59.73 2dmy h MET 19 Cb 1.34 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.78 2dmy h MET 19 CO -0.10 0.00 0.26 -0.97 -0.00 0.00 0.00 176.91 176.10 2dmy h ASN 20 N 0.00 -0.04 -0.22 -0.10 -1.24 -1.94 0.53 115.58 112.57 2dmy h ASN 20 Ca 0.74 0.23 0.05 0.00 0.71 0.00 0.00 56.30 58.03 2dmy h ASN 20 Cb 3.16 0.32 -0.07 0.00 0.73 0.00 0.00 38.32 42.45 2dmy h ASN 20 CO -0.01 -0.26 -0.41 0.00 -1.29 0.00 0.00 177.43 175.47 2dmy h ALA 21 N 1.88 -0.50 -0.75 1.57 0.00 -1.04 -0.41 119.26 120.01 2dmy h ALA 21 Ca 0.63 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.68 2dmy h ALA 21 Cb 1.38 0.79 -0.13 0.00 0.00 0.00 0.00 17.79 19.83 2dmy h ALA 21 CO -0.74 -0.88 -0.38 -0.07 0.00 0.00 0.00 179.25 177.17 2dmy h LEU 22 N -0.42 -1.35 -0.92 0.00 3.38 -1.08 0.38 115.31 115.30 2dmy h LEU 22 Ca 0.10 0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.37 2dmy h LEU 22 Cb 0.60 0.67 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2dmy h LEU 22 CO -0.45 -0.30 0.59 0.24 0.09 0.00 0.00 178.44 178.61 2dmy h MET 23 N -0.11 1.11 0.29 1.13 2.86 -1.32 -2.75 114.93 116.14 2dmy h MET 23 Ca 0.26 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2dmy h MET 23 Cb 0.56 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2dmy h MET 23 CO -0.80 0.73 -0.15 0.00 1.06 0.00 0.00 176.91 177.75 2dmy h ARG 24 N 1.14 -0.39 -0.89 1.72 2.47 0.13 -0.20 114.38 118.35 2dmy h ARG 24 Ca 0.37 0.03 0.23 0.00 -1.26 0.00 0.00 59.98 59.34 2dmy h ARG 24 Cb 0.02 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 28.30 2dmy h ARG 24 CO -0.12 -0.26 0.37 1.25 0.56 0.00 0.00 179.97 181.76 2dmy h LEU 25 N -0.41 0.27 -0.36 3.04 5.85 -0.49 0.23 115.31 123.43 2dmy h LEU 25 Ca -0.04 0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 2dmy h LEU 25 Cb 0.32 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2dmy h LEU 25 CO 0.05 -0.04 -0.60 0.78 -0.34 0.00 0.00 178.44 178.30 2dmy h ASN 26 N 0.36 0.80 0.47 1.25 2.35 -1.24 -0.41 115.58 119.16 2dmy h ASN 26 Ca 0.56 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2dmy h ASN 26 Cb 1.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 2dmy h ASN 26 CO -0.55 1.22 -0.43 1.56 -1.65 0.00 0.00 177.43 177.57 2dmy h GLN 27 N 0.53 -0.87 -0.34 0.81 1.08 0.13 0.58 115.11 117.03 2dmy h GLN 27 Ca -0.00 0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 2dmy h GLN 27 Cb 1.19 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 2dmy h GLN 27 CO 0.12 -0.58 -0.34 -0.84 -0.95 0.00 0.00 178.83 176.24 2dmy h ILE 28 N -0.90 1.28 -2.99 2.54 3.07 -1.33 -3.38 117.51 115.81 2dmy h ILE 28 Ca -0.05 -1.50 -0.61 0.00 1.55 0.00 0.00 64.86 64.25 2dmy h ILE 28 Cb 0.79 1.39 -0.40 0.00 -0.27 0.00 0.00 36.82 38.32 2dmy h ILE 28 CO -0.04 0.49 -0.73 -0.13 -1.05 0.00 0.00 178.15 176.69 2dmy s ARG 29 N -4.41 1.49 0.45 0.16 1.81 -0.16 -5.11 118.95 113.18 2dmy s ARG 29 Ca -0.09 -2.27 -0.23 0.00 -1.72 0.00 0.00 55.73 51.41 2dmy s ARG 29 Cb 0.12 -2.51 -0.08 0.00 -0.45 0.00 0.00 34.95 32.04 2dmy s ARG 29 CO 0.85 -1.19 1.17 -1.25 -0.68 0.00 0.00 175.30 174.19 2dmy s PRO 30 N -0.00 3.80 -0.44 3.54 0.04 0.18 -4.04 135.00 138.08 2dmy s PRO 30 Ca 0.20 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dmy s PRO 30 Cb -0.19 -2.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 2dmy s PRO 30 CO -0.04 -0.52 0.41 0.41 0.04 0.00 0.00 177.00 177.30 2dmy n GLY 31 N 0.47 -0.84 3.93 0.56 0.00 -1.26 -5.06 105.19 102.99 2dmy n GLY 31 Ca 0.07 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.21 3.65 -0.09 0.99 1.43 -1.26 -5.12 118.68 115.07 2dmy s LEU 32 Ca 0.01 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2dmy s LEU 32 Cb -0.00 -2.42 0.04 0.00 0.03 0.00 0.00 46.19 43.84 2dmy s LEU 32 CO 0.44 -0.55 0.02 0.00 0.23 0.00 0.00 176.35 176.49 2dmy s GLN 33 N -4.16 0.44 0.03 1.70 -2.07 -1.26 -5.14 119.66 109.19 2dmy s GLN 33 Ca 0.47 0.07 0.01 0.00 -1.82 0.00 0.00 55.36 54.10 2dmy s GLN 33 Cb -0.07 -1.11 -0.04 0.00 -1.09 0.00 0.00 33.01 30.70 2dmy s GLN 33 CO 0.30 -0.39 0.08 0.71 -1.32 0.00 0.00 175.29 174.67 2dmy s TYR 34 N 2.01 3.23 0.00 9.60 1.51 -1.26 -4.36 117.35 128.08 2dmy s TYR 34 Ca 0.04 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 2dmy s TYR 34 Cb -0.13 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2dmy s TYR 34 CO -0.05 0.53 0.03 0.15 -1.11 0.00 0.00 175.55 175.10 2dmy s LYS 35 N -2.00 0.24 -0.71 -0.62 1.02 -0.80 -4.97 119.74 111.91 2dmy s LYS 35 Ca 0.25 -0.30 -0.18 0.00 0.02 0.00 0.00 55.97 55.76 2dmy s LYS 35 Cb -0.12 0.09 0.13 0.00 -0.52 0.00 0.00 37.83 37.41 2dmy s LYS 35 CO 0.17 -0.04 0.82 -1.17 -0.92 0.00 0.00 175.35 174.21 2dmy s LEU 36 N -0.84 5.50 0.21 3.17 2.96 -1.26 -1.19 118.68 127.23 2dmy s LEU 36 Ca -0.09 -1.75 -0.18 0.00 -0.22 0.00 0.00 54.13 51.88 2dmy s LEU 36 Cb -0.06 -2.31 0.19 0.00 0.50 0.00 0.00 46.19 44.51 2dmy s LEU 36 CO -0.00 -1.03 1.57 -0.07 -1.32 0.00 0.00 176.35 175.50 2dmy h LEU 37 N 9.77 -1.22 -7.00 -0.68 3.38 -1.43 -3.45 115.31 114.69 2dmy h LEU 37 Ca -0.13 0.26 0.21 0.00 0.09 0.00 0.00 57.88 58.31 2dmy h LEU 37 Cb 1.07 0.63 -0.20 0.00 0.09 0.00 0.00 40.66 42.25 2dmy h LEU 37 CO 1.05 -0.30 0.76 -0.55 0.09 0.00 0.00 178.44 179.50 2dmy s SER 38 N -5.24 -0.18 -0.07 -0.43 0.15 -1.25 -5.07 113.70 101.60 2dmy s SER 38 Ca -0.14 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.62 2dmy s SER 38 Cb 0.18 0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2dmy s SER 38 CO 0.71 -0.26 -0.23 -1.58 1.20 0.00 0.00 173.24 173.08 2dmy s GLN 39 N -2.10 2.61 0.22 5.44 0.74 -1.26 -2.95 119.66 122.37 2dmy s GLN 39 Ca 0.07 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.66 2dmy s GLN 39 Cb -0.01 -2.11 -0.05 0.00 1.10 0.00 0.00 33.01 31.95 2dmy s GLN 39 CO -0.05 0.27 0.08 0.45 -0.55 0.00 0.00 175.29 175.49 2dmy s SER 40 N 0.10 0.95 0.00 6.67 0.15 -1.09 -4.93 113.70 115.55 2dmy s SER 40 Ca -0.10 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2dmy s SER 40 Cb -0.15 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2dmy s SER 40 CO 0.06 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2dmy n GLY 41 N -0.36 -1.63 1.47 9.45 0.00 -1.26 0.30 105.19 113.15 2dmy n GLY 41 Ca -0.01 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.03 -1.92 0.05 1.61 -0.04 -1.25 -4.81 135.00 128.62 2dmy n PRO 42 Ca 0.00 -0.73 0.04 0.00 -0.04 0.00 0.00 63.50 62.77 2dmy n PRO 42 Cb 0.00 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.50 0.96 -0.06 0.52 3.14 -1.26 -2.93 118.33 115.20 2dmy n VAL 43 Ca 0.06 -0.64 -0.11 0.00 -2.96 0.00 0.00 64.34 60.69 2dmy n VAL 43 Cb 0.25 -0.58 -0.15 0.00 -1.06 0.00 0.00 33.84 32.30 2dmy n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dmy n HIS 44 N -2.79 0.51 -2.65 1.45 1.44 -1.26 -4.50 115.22 107.42 2dmy n HIS 44 Ca -0.07 0.17 -0.24 0.00 -2.01 0.00 0.00 57.72 55.57 2dmy n HIS 44 Cb 0.74 -1.09 -0.01 0.00 0.12 0.00 0.00 29.99 29.75 2dmy n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dmy n ALA 45 N -2.74 4.59 -1.20 1.59 0.00 -1.26 -5.09 120.51 116.40 2dmy n ALA 45 Ca -0.28 -4.20 -0.30 0.00 0.00 0.00 0.00 53.44 48.67 2dmy n ALA 45 Cb 1.09 -0.66 0.14 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.41 1.14 -0.21 0.00 0.04 -1.15 -3.96 135.00 127.45 2dmy s PRO 46 Ca 0.45 0.77 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2dmy s PRO 46 Cb 0.38 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 33.15 2dmy s PRO 46 CO -0.14 -2.31 -0.16 0.08 0.04 0.00 0.00 177.00 174.51 2dmy s VAL 47 N -2.94 2.21 -0.50 -0.36 1.01 0.15 -4.44 120.40 115.51 2dmy s VAL 47 Ca 0.64 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2dmy s VAL 47 Cb -0.18 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.26 2dmy s VAL 47 CO 0.57 0.37 0.45 -0.36 0.00 0.00 0.00 175.10 176.13 2dmy s PHE 48 N 1.25 3.23 -0.47 5.22 0.40 -0.67 -2.66 117.98 124.29 2dmy s PHE 48 Ca 0.01 -1.05 -0.23 0.00 -0.60 0.00 0.00 56.93 55.06 2dmy s PHE 48 Cb -0.15 -3.45 0.03 0.00 0.51 0.00 0.00 43.02 39.96 2dmy s PHE 48 CO -0.10 -0.90 0.80 0.99 0.70 0.00 0.00 175.22 176.70 2dmy s THR 49 N 1.69 4.62 0.44 0.64 2.01 -1.15 -2.56 115.64 121.33 2dmy s THR 49 Ca 0.04 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.42 2dmy s THR 49 Cb -0.26 -4.36 0.01 0.00 0.01 0.00 0.00 72.50 67.90 2dmy s THR 49 CO 0.05 -0.79 0.61 -0.04 -0.69 0.00 0.00 174.62 173.76 2dmy s MET 50 N 3.34 2.85 -0.16 4.92 -1.94 -0.51 -1.11 119.30 126.68 2dmy s MET 50 Ca 0.29 -0.99 -0.28 0.00 -1.71 0.00 0.00 55.69 52.99 2dmy s MET 50 Cb -0.13 -2.68 0.08 0.00 2.01 0.00 0.00 34.83 34.11 2dmy s MET 50 CO 0.21 -0.30 0.75 -1.54 -0.01 0.00 0.00 175.02 174.13 2dmy s SER 51 N -4.31 -0.65 0.04 3.03 1.04 -0.34 -2.12 113.70 110.39 2dmy s SER 51 Ca 0.53 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.91 2dmy s SER 51 Cb -0.10 0.91 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 2dmy s SER 51 CO 0.34 -0.41 0.06 0.54 0.98 0.00 0.00 173.24 174.75 2dmy s VAL 52 N -0.46 0.15 -0.35 5.02 0.11 -1.06 -1.89 120.40 121.92 2dmy s VAL 52 Ca -0.05 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 57.70 2dmy s VAL 52 Cb -0.02 -0.99 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2dmy s VAL 52 CO 0.04 -0.68 0.12 1.51 -3.33 0.00 0.00 175.10 172.76 2dmy s ASP 53 N -2.28 5.30 -0.06 3.54 -4.77 -1.26 -1.18 116.67 115.96 2dmy s ASP 53 Ca -0.03 -1.29 0.02 0.00 -3.30 0.00 0.00 52.55 47.95 2dmy s ASP 53 Cb 0.00 -1.86 0.01 0.00 -1.09 0.00 0.00 42.92 39.99 2dmy s ASP 53 CO -0.06 -0.37 -0.10 -0.69 0.70 0.00 0.00 175.17 174.65 2dmy s VAL 54 N 1.36 0.99 -1.60 2.11 1.01 -0.80 -4.81 120.40 118.67 2dmy s VAL 54 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2dmy s VAL 54 Cb -0.20 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.35 2dmy s VAL 54 CO 0.02 0.32 0.51 -0.67 0.00 0.00 0.00 175.10 175.28 2dmy n ASP 55 N 3.78 -1.44 -1.93 3.32 -0.08 -1.26 0.11 116.55 119.04 2dmy n ASP 55 Ca -0.23 -1.08 -0.18 0.00 -1.51 0.00 0.00 54.79 51.79 2dmy n ASP 55 Cb 0.52 -2.56 -0.03 0.00 2.34 0.00 0.00 41.12 41.39 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dmy n GLY 56 N -1.77 0.12 2.88 0.27 0.00 -1.26 -4.97 105.19 100.46 2dmy n GLY 56 Ca -0.12 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.86 1.30 -0.44 2.61 2.01 0.30 -5.09 115.64 113.46 2dmy s THR 57 Ca 0.00 -1.21 -0.26 0.00 0.31 0.00 0.00 61.69 60.53 2dmy s THR 57 Cb 0.00 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.83 2dmy s THR 57 CO 0.00 -0.25 0.97 -0.89 -0.69 0.00 0.00 174.62 173.76 2dmy s THR 58 N 1.48 4.45 0.36 -0.82 2.01 -1.26 -1.90 115.64 119.96 2dmy s THR 58 Ca -0.01 0.96 0.01 0.00 0.31 0.00 0.00 61.69 62.96 2dmy s THR 58 Cb -0.18 -4.44 -0.03 0.00 0.01 0.00 0.00 72.50 67.86 2dmy s THR 58 CO -0.10 -0.79 0.56 -0.31 -0.69 0.00 0.00 174.62 173.30 2dmy s TYR 59 N 3.82 3.43 -0.18 4.92 1.51 -0.33 -4.92 117.35 125.60 2dmy s TYR 59 Ca 0.40 0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 56.68 2dmy s TYR 59 Cb -0.10 -1.97 0.08 0.00 -0.11 0.00 0.00 41.96 39.86 2dmy s TYR 59 CO 0.25 0.03 0.38 -1.21 -1.11 0.00 0.00 175.55 173.90 2dmy s GLU 60 N -4.35 0.29 -0.06 -0.62 2.02 -1.26 -2.56 118.70 112.16 2dmy s GLU 60 Ca 0.42 0.96 0.01 0.00 0.02 0.00 0.00 54.97 56.37 2dmy s GLU 60 Cb -0.10 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.39 2dmy s GLU 60 CO 0.36 -0.25 -0.05 0.00 0.02 0.00 0.00 175.26 175.34 2dmy s ALA 61 N 2.48 0.82 -0.17 5.21 0.00 -0.90 -4.95 121.76 124.25 2dmy s ALA 61 Ca -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 2dmy s ALA 61 Cb -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2dmy s ALA 61 CO -0.12 -0.10 0.01 -1.54 0.00 0.00 0.00 175.76 174.01 2dmy s SER 62 N 1.11 5.17 0.28 0.00 1.04 -1.26 -1.43 113.70 118.61 2dmy s SER 62 Ca -0.08 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2dmy s SER 62 Cb -0.14 -1.87 -0.01 0.00 0.10 0.00 0.00 66.02 64.10 2dmy s SER 62 CO -0.01 0.17 0.12 0.61 0.98 0.00 0.00 173.24 175.11 2dmy n GLY 63 N 3.55 3.44 0.28 7.32 0.00 -1.06 -4.93 105.19 113.79 2dmy n GLY 63 Ca -0.17 -2.02 0.17 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.89 1.61 0.13 -1.90 -1.78 132.00 126.18 2dmy h PRO 64 Ca -0.22 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.73 2dmy h PRO 64 Cb 0.86 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.92 2dmy h PRO 64 CO 0.34 0.01 -0.13 -1.12 -0.23 0.00 0.00 178.00 176.86 2dmy s SER 65 N -5.69 0.51 -0.06 1.44 0.01 -1.26 -4.44 113.70 104.20 2dmy s SER 65 Ca 0.01 -1.29 -0.23 0.00 1.31 0.00 0.00 55.95 55.75 2dmy s SER 65 Cb 0.09 0.65 -0.18 0.00 0.21 0.00 0.00 66.02 66.80 2dmy s SER 65 CO 0.54 -1.28 0.90 0.50 0.41 0.00 0.00 173.24 174.31 2dmy h LYS 66 N 2.15 -0.12 -1.00 12.44 3.64 -1.89 -0.59 116.57 131.21 2dmy h LYS 66 Ca -0.28 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.38 2dmy h LYS 66 Cb 1.24 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.96 2dmy h LYS 66 CO 0.39 0.42 0.57 1.57 -2.27 0.00 0.00 179.45 180.12 2dmy h LYS 67 N -0.81 0.45 0.16 1.90 2.10 -1.98 -0.18 116.57 118.21 2dmy h LYS 67 Ca -0.01 -0.03 -0.22 0.00 -2.00 0.00 0.00 60.65 58.39 2dmy h LYS 67 Cb 0.59 -0.10 0.03 0.00 -0.90 0.00 0.00 32.23 31.84 2dmy h LYS 67 CO 0.02 0.30 -0.97 1.15 -2.00 0.00 0.00 179.45 177.95 2dmy h THR 68 N 0.47 1.45 -0.52 0.07 2.02 -1.98 -3.30 112.91 111.11 2dmy h THR 68 Ca 0.68 -2.55 0.07 0.00 0.77 0.00 0.00 66.41 65.38 2dmy h THR 68 Cb 1.40 3.13 -0.10 0.00 -1.74 0.00 0.00 68.15 70.84 2dmy h THR 68 CO -0.53 0.74 -0.47 0.00 0.37 0.00 0.00 175.52 175.62 2dmy h ALA 69 N 0.11 -0.48 -0.82 6.16 0.00 0.61 0.14 119.26 124.99 2dmy h ALA 69 Ca -0.17 0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2dmy h ALA 69 Cb 1.76 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 20.46 2dmy h ALA 69 CO 0.18 -0.90 0.38 0.87 0.00 0.00 0.00 179.25 179.78 2dmy h LYS 70 N -0.28 0.51 0.29 0.00 1.57 -1.51 -1.64 116.57 115.51 2dmy h LYS 70 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2dmy h LYS 70 Cb 0.57 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dmy h LYS 70 CO -0.66 0.34 -0.14 1.25 -0.57 0.00 0.00 179.45 179.67 2dmy h LEU 71 N 0.53 -0.34 -0.97 2.94 5.85 -0.91 -2.60 115.31 119.81 2dmy h LEU 71 Ca 0.46 -0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.36 2dmy h LEU 71 Cb 0.70 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 2dmy h LEU 71 CO -0.40 -0.23 0.57 0.45 -0.34 0.00 0.00 178.44 178.49 2dmy h HIS 72 N -0.41 0.99 0.18 1.25 3.86 -0.10 -1.45 115.15 119.46 2dmy h HIS 72 Ca -0.04 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dmy h HIS 72 Cb 0.32 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2dmy h HIS 72 CO -0.05 0.20 -0.16 0.28 0.86 0.00 0.00 177.93 179.06 2dmy h VAL 73 N 0.71 0.65 -0.29 2.45 2.07 -0.98 -2.86 116.25 118.00 2dmy h VAL 73 Ca 0.56 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.15 2dmy h VAL 73 Cb 0.88 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 2dmy h VAL 73 CO -0.39 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.01 2dmy h ALA 74 N 0.43 0.02 -0.75 1.67 0.00 -0.93 -1.88 119.26 117.82 2dmy h ALA 74 Ca -0.00 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2dmy h ALA 74 Cb 0.33 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 2dmy h ALA 74 CO -0.03 -0.59 -0.17 0.28 0.00 0.00 0.00 179.25 178.74 2dmy h VAL 75 N -0.16 0.26 -0.03 0.00 2.07 -1.25 -0.40 116.25 116.74 2dmy h VAL 75 Ca 0.16 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 2dmy h VAL 75 Cb 0.40 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2dmy h VAL 75 CO -0.39 0.00 -0.26 0.11 0.02 0.00 0.00 177.57 177.05 2dmy h LYS 76 N 0.01 -0.37 -0.32 1.57 1.57 -1.13 -1.19 116.57 116.71 2dmy h LYS 76 Ca 0.36 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 2dmy h LYS 76 Cb 0.56 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 2dmy h LYS 76 CO -0.76 -0.24 -0.53 0.28 -0.57 0.00 0.00 179.45 177.62 2dmy h VAL 77 N -0.38 0.02 -0.24 0.50 2.07 -0.80 0.19 116.25 117.60 2dmy h VAL 77 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 2dmy h VAL 77 Cb 0.48 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 2dmy h VAL 77 CO -0.25 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.02 2dmy h LEU 78 N -0.45 -0.80 -0.42 2.57 3.38 -1.16 -1.22 115.31 117.22 2dmy h LEU 78 Ca 0.07 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2dmy h LEU 78 Cb 0.62 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 2dmy h LEU 78 CO -0.54 -0.28 -0.04 1.56 0.09 0.00 0.00 178.44 179.22 2dmy h GLN 79 N -0.26 0.06 -0.24 1.13 4.20 -0.40 0.11 115.11 119.72 2dmy h GLN 79 Ca 0.14 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2dmy h GLN 79 Cb 0.47 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 2dmy h GLN 79 CO -0.39 0.04 -0.12 0.00 -0.67 0.00 0.00 178.83 177.69 2dmy h ALA 80 N 1.39 0.07 -0.09 3.87 0.00 0.17 -0.87 119.26 123.81 2dmy h ALA 80 Ca 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2dmy h ALA 80 Cb 0.31 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2dmy h ALA 80 CO -0.38 -0.53 -0.09 0.52 0.00 0.00 0.00 179.25 178.76 2dmy h MET 81 N -0.09 0.13 0.00 0.00 2.86 -0.54 -3.46 114.93 113.82 2dmy h MET 81 Ca 0.13 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2dmy h MET 81 Cb 0.29 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2dmy h MET 81 CO -0.30 0.23 0.00 0.41 1.06 0.00 0.00 176.91 178.31 2dmy n GLY 82 N -1.10 1.41 3.78 8.32 0.00 0.17 -5.11 105.19 112.66 2dmy n GLY 82 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 3.21 -0.42 1.61 2.02 0.11 -4.99 117.35 116.90 2dmy s TYR 83 Ca 0.00 0.11 -0.28 0.00 -0.37 0.00 0.00 57.07 56.53 2dmy s TYR 83 Cb 0.00 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2dmy s TYR 83 CO 0.00 0.53 1.74 -1.25 -1.57 0.00 0.00 175.55 175.00 2dmy s PRO 84 N -2.21 3.19 -0.52 -1.71 0.04 -1.26 -4.08 135.00 128.45 2dmy s PRO 84 Ca 0.28 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2dmy s PRO 84 Cb -0.12 -4.22 0.49 0.00 0.04 0.00 0.00 34.50 30.69 2dmy s PRO 84 CO 0.20 -2.03 1.77 0.25 0.04 0.00 0.00 177.00 177.23 2dmy n THR 85 N 7.30 3.22 -2.91 1.26 -2.24 -1.26 -4.90 114.28 114.75 2dmy n THR 85 Ca 0.21 -3.09 -0.11 0.00 -2.27 0.00 0.00 64.05 58.79 2dmy n THR 85 Cb 0.48 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.92 -0.43 3.57 3.38 0.00 -1.26 -4.83 105.19 104.69 2dmy n GLY 86 Ca 0.55 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.20 -0.88 0.30 1.61 5.36 -1.26 -5.15 117.98 115.76 2dmy s PHE 87 Ca 0.22 1.90 0.06 0.00 -0.96 0.00 0.00 56.93 58.16 2dmy s PHE 87 Cb -0.13 0.45 -0.06 0.00 -0.34 0.00 0.00 43.02 42.93 2dmy s PHE 87 CO 0.27 -0.44 -0.04 0.16 -1.46 0.00 0.00 175.22 173.72 2dmy s ASP 88 N 1.12 2.88 -0.70 6.13 1.47 -1.26 -5.08 116.67 121.23 2dmy s ASP 88 Ca -0.06 -1.24 0.04 0.00 1.18 0.00 0.00 52.55 52.48 2dmy s ASP 88 Cb -0.05 -0.19 0.28 0.00 -0.34 0.00 0.00 42.92 42.62 2dmy s ASP 88 CO -0.11 -0.38 0.94 0.00 0.68 0.00 0.00 175.17 176.30 2dmy n ALA 89 N -0.65 4.46 -2.16 2.11 0.00 -1.26 -4.76 120.51 118.24 2dmy n ALA 89 Ca -0.05 -4.76 0.01 0.00 0.00 0.00 0.00 53.44 48.64 2dmy n ALA 89 Cb 0.64 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 0.61 1.82 -3.44 0.00 -0.08 -1.26 -5.10 116.55 109.09 2dmy n ASP 90 Ca 0.31 -2.90 -0.35 0.00 -1.51 0.00 0.00 54.79 50.34 2dmy n ASP 90 Cb 0.39 -0.41 -0.01 0.00 2.34 0.00 0.00 41.12 43.43 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2dmy n ILE 91 N -0.38 0.78 -2.34 5.18 -5.35 -1.26 -4.71 119.36 111.28 2dmy n ILE 91 Ca 0.16 -0.40 -0.35 0.00 -0.27 0.00 0.00 62.75 61.88 2dmy n ILE 91 Cb 0.92 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.78 2dmy n ILE 91 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2dmy s SER 92 N -0.80 5.90 0.00 7.28 0.15 -1.26 -4.20 113.70 120.77 2dmy s SER 92 Ca 0.48 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dmy s SER 92 Cb -0.57 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 2dmy s SER 92 CO 0.49 -2.05 0.00 0.61 1.20 0.00 0.00 173.24 173.49 2dmy n GLY 93 N 6.74 0.68 3.77 9.45 0.00 -1.26 -5.09 105.19 119.48 2dmy n GLY 93 Ca 0.34 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2dmy n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmy s PRO 94 N -0.41 4.09 0.32 1.61 0.04 -1.26 -5.04 135.00 134.34 2dmy s PRO 94 Ca 0.00 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 2dmy s PRO 94 Cb 0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dmy s PRO 94 CO 0.00 -0.31 0.49 -1.54 0.04 0.00 0.00 177.00 175.68 2dmy s SER 95 N -1.02 0.57 0.10 6.66 1.04 -1.26 -5.07 113.70 114.72 2dmy s SER 95 Ca 0.56 -1.32 -0.26 0.00 0.48 0.00 0.00 55.95 55.40 2dmy s SER 95 Cb -0.32 0.65 -0.13 0.00 0.10 0.00 0.00 66.02 66.32 2dmy s SER 95 CO 0.41 -1.28 1.68 -1.28 0.98 0.00 0.00 173.24 173.75 2dmy h SER 96 N 2.15 -0.41 0.00 7.02 0.87 -2.09 -3.55 113.55 117.54 2dmy h SER 96 Ca -0.28 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2dmy h SER 96 Cb 1.24 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2dmy h SER 96 CO 0.39 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.06