#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy h SER 2 N 0.00 -1.05 -2.47 1.61 0.87 -2.09 -3.41 113.55 107.00 2dmy h SER 2 Ca 0.00 0.23 -0.52 0.00 -1.23 0.00 0.00 61.79 60.26 2dmy h SER 2 Cb 0.00 0.55 0.23 0.00 -0.44 0.00 0.00 62.40 62.74 2dmy h SER 2 CO 0.00 -0.29 -1.36 -1.20 -0.53 0.00 0.00 176.83 173.45 2dmy n SER 3 N -5.44 -3.67 0.00 6.23 7.64 -1.26 -4.96 113.62 112.16 2dmy n SER 3 Ca 0.06 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2dmy n SER 3 Cb 0.36 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 2.52 1.34 3.42 0.23 0.00 -1.26 -5.17 105.19 106.26 2dmy n GLY 4 Ca 0.02 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 2dmy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmy s SER 5 N 2.00 -0.50 0.04 1.61 0.01 -1.26 -5.17 113.70 110.42 2dmy s SER 5 Ca 0.00 0.76 -0.28 0.00 1.31 0.00 0.00 55.95 57.74 2dmy s SER 5 Cb 0.00 0.77 0.10 0.00 0.21 0.00 0.00 66.02 67.10 2dmy s SER 5 CO 0.00 -0.36 1.20 -0.55 0.41 0.00 0.00 173.24 173.94 2dmy s SER 6 N -0.48 -0.07 0.00 2.44 0.15 -1.26 -5.16 113.70 109.32 2dmy s SER 6 Ca -0.06 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2dmy s SER 6 Cb -0.03 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dmy s SER 6 CO 0.04 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2dmy n GLY 7 N -0.55 0.36 0.10 9.45 0.00 -1.26 -5.11 105.19 108.18 2dmy n GLY 7 Ca -0.06 0.64 -0.00 0.00 0.00 0.00 0.00 46.02 46.59 2dmy n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dmy n ARG 8 N 0.00 0.01 -3.35 1.61 0.63 -1.26 -4.98 116.66 109.32 2dmy n ARG 8 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2dmy n ARG 8 Cb 0.00 -0.48 -0.00 0.00 0.45 0.00 0.00 32.46 32.43 2dmy n ARG 8 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2dmy n LYS 9 N -2.55 -3.50 -2.04 -0.14 5.02 -1.26 -4.85 118.16 108.84 2dmy n LYS 9 Ca -0.00 0.50 -0.40 0.00 -2.02 0.00 0.00 58.31 56.39 2dmy n LYS 9 Cb 0.01 -5.22 0.04 0.00 -0.02 0.00 0.00 35.03 29.84 2dmy n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2dmy n ILE 10 N -3.99 4.01 -3.48 -0.18 2.08 -1.26 -4.93 119.36 111.61 2dmy n ILE 10 Ca -0.02 -4.58 -0.12 0.00 0.56 0.00 0.00 62.75 58.58 2dmy n ILE 10 Cb 0.55 -1.29 -0.03 0.00 -0.75 0.00 0.00 39.64 38.11 2dmy n ILE 10 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2dmy s LEU 11 N -4.12 -0.35 -0.17 1.39 2.96 -1.26 -5.16 118.68 111.96 2dmy s LEU 11 Ca 0.50 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 2dmy s LEU 11 Cb 0.40 2.41 0.08 0.00 0.50 0.00 0.00 46.19 49.58 2dmy s LEU 11 CO -0.37 -0.90 0.37 -0.62 -1.32 0.00 0.00 176.35 173.51 2dmy s ASP 12 N -2.57 -0.15 0.14 3.68 -1.08 -1.26 -5.16 116.67 110.27 2dmy s ASP 12 Ca -0.00 0.85 -0.25 0.00 -0.52 0.00 0.00 52.55 52.62 2dmy s ASP 12 Cb -0.00 1.03 0.07 0.00 -1.46 0.00 0.00 42.92 42.55 2dmy s ASP 12 CO -0.10 -0.22 0.92 -0.44 0.52 0.00 0.00 175.17 175.85 2dmy s SER 13 N 2.27 -0.22 -0.72 -0.34 0.01 -1.26 -5.09 113.70 108.34 2dmy s SER 13 Ca -0.03 -0.34 -0.37 0.00 1.31 0.00 0.00 55.95 56.53 2dmy s SER 13 Cb -0.11 0.49 -0.19 0.00 0.21 0.00 0.00 66.02 66.41 2dmy s SER 13 CO -0.11 -0.89 2.41 2.29 0.41 0.00 0.00 173.24 177.35 2dmy n LYS 14 N -0.43 0.12 -3.64 12.44 2.85 -1.26 -4.80 118.16 123.44 2dmy n LYS 14 Ca -0.07 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.22 2dmy n LYS 14 Cb 0.61 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 33.34 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 7.71 -2.15 -0.05 0.58 0.00 -1.26 -5.17 121.76 121.43 2dmy s ALA 15 Ca 1.26 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.86 2dmy s ALA 15 Cb -1.29 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2dmy s ALA 15 CO 0.55 -1.05 -0.11 0.42 0.00 0.00 0.00 175.76 175.57 2dmy s ILE 16 N -2.55 3.35 -0.88 0.00 1.01 -1.26 -5.02 121.20 115.84 2dmy s ILE 16 Ca 0.14 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 2dmy s ILE 16 Cb 0.04 -2.35 -0.15 0.00 0.01 0.00 0.00 42.46 40.01 2dmy s ILE 16 CO -0.03 0.56 1.91 0.47 0.00 0.00 0.00 174.94 177.86 2dmy n ASP 17 N 2.16 2.64 0.02 3.58 9.92 -1.26 -4.54 116.55 129.07 2dmy n ASP 17 Ca -0.17 -2.68 -0.10 0.00 -0.53 0.00 0.00 54.79 51.31 2dmy n ASP 17 Cb 0.52 -1.30 -0.13 0.00 -0.64 0.00 0.00 41.12 39.57 2dmy n ASP 17 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2dmy h LEU 18 N 15.38 0.10 -1.38 0.64 3.38 -1.98 -3.33 115.31 128.12 2dmy h LEU 18 Ca 0.34 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.33 2dmy h LEU 18 Cb 0.76 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2dmy h LEU 18 CO 1.71 1.13 0.59 0.00 0.09 0.00 0.00 178.44 181.96 2dmy h MET 19 N 0.02 0.53 -0.96 1.13 -0.00 -2.00 0.30 114.93 113.95 2dmy h MET 19 Ca -0.20 -0.03 0.19 0.00 -0.00 0.00 0.00 59.70 59.66 2dmy h MET 19 Cb 1.94 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.60 33.34 2dmy h MET 19 CO 0.11 0.35 0.61 -0.91 -0.00 0.00 0.00 176.91 177.07 2dmy h ASN 20 N 0.55 0.61 -0.78 -0.10 2.35 -1.95 -1.82 115.58 114.43 2dmy h ASN 20 Ca 0.47 0.06 0.31 0.00 -0.55 0.00 0.00 56.30 56.59 2dmy h ASN 20 Cb 0.96 -0.05 -0.12 0.00 0.05 0.00 0.00 38.32 39.17 2dmy h ASN 20 CO -0.21 0.24 0.45 0.00 -1.65 0.00 0.00 177.43 176.26 2dmy n ALA 21 N -2.43 0.79 0.29 -0.83 0.00 0.09 0.20 120.51 118.63 2dmy n ALA 21 Ca 0.21 0.69 -0.11 0.00 0.00 0.00 0.00 53.44 54.22 2dmy n ALA 21 Cb 0.62 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.63 -0.89 0.00 3.38 -1.53 -2.91 115.31 112.73 2dmy h LEU 22 Ca 0.60 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.84 2dmy h LEU 22 Cb 1.70 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 42.46 2dmy h LEU 22 CO -0.48 -0.37 0.14 0.24 0.09 0.00 0.00 178.44 178.06 2dmy h MET 23 N -0.90 0.12 0.09 1.13 2.86 -0.42 -0.94 114.93 116.87 2dmy h MET 23 Ca -0.08 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2dmy h MET 23 Cb 0.57 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2dmy h MET 23 CO 0.12 0.08 -0.46 0.00 1.06 0.00 0.00 176.91 177.72 2dmy h ARG 24 N 0.12 -0.62 -0.99 1.72 -0.00 -1.33 0.23 114.38 113.52 2dmy h ARG 24 Ca 0.55 0.04 0.34 0.00 -0.50 0.00 0.00 59.98 60.41 2dmy h ARG 24 Cb 1.12 0.14 -0.16 0.00 0.00 0.00 0.00 29.97 31.07 2dmy h ARG 24 CO -0.74 -0.41 0.50 1.25 0.00 0.00 0.00 179.97 180.56 2dmy h LEU 25 N -0.64 0.35 -0.12 3.04 5.85 -0.97 0.40 115.31 123.21 2dmy h LEU 25 Ca -0.00 0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2dmy h LEU 25 Cb 0.65 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2dmy h LEU 25 CO -0.26 -0.24 -0.27 0.78 -0.34 0.00 0.00 178.44 178.11 2dmy h ASN 26 N 0.19 0.45 -0.31 1.25 2.35 -0.96 0.18 115.58 118.73 2dmy h ASN 26 Ca 0.74 -0.57 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 2dmy h ASN 26 Cb 1.77 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.94 2dmy h ASN 26 CO -0.68 0.94 -0.16 1.56 -1.65 0.00 0.00 177.43 177.44 2dmy h GLN 27 N -0.02 -0.11 -0.03 0.81 4.20 0.30 -0.25 115.11 120.01 2dmy h GLN 27 Ca 0.00 0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 2dmy h GLN 27 Cb 0.87 0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.69 2dmy h GLN 27 CO 0.06 -0.07 -0.98 -0.84 -0.67 0.00 0.00 178.83 176.33 2dmy h ILE 28 N -0.12 1.29 -3.13 2.54 3.07 -1.25 -3.40 117.51 116.52 2dmy h ILE 28 Ca 0.16 -2.20 -0.62 0.00 1.55 0.00 0.00 64.86 63.75 2dmy h ILE 28 Cb 0.36 2.29 -0.41 0.00 -0.27 0.00 0.00 36.82 38.80 2dmy h ILE 28 CO -0.39 0.68 -0.69 -0.13 -1.05 0.00 0.00 178.15 176.58 2dmy s ARG 29 N -3.41 1.66 0.47 0.16 1.81 0.62 -5.11 118.95 115.16 2dmy s ARG 29 Ca -0.09 -2.39 -0.22 0.00 -1.72 0.00 0.00 55.73 51.31 2dmy s ARG 29 Cb 0.07 -2.79 -0.07 0.00 -0.45 0.00 0.00 34.95 31.71 2dmy s ARG 29 CO 0.91 -1.16 1.16 -1.25 -0.68 0.00 0.00 175.30 174.28 2dmy s PRO 30 N -0.09 3.69 -0.34 3.54 0.04 -0.15 -4.03 135.00 137.65 2dmy s PRO 30 Ca 0.19 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 2dmy s PRO 30 Cb -0.22 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 2dmy s PRO 30 CO -0.02 -0.60 0.32 0.41 0.04 0.00 0.00 177.00 177.14 2dmy n GLY 31 N 0.39 -0.55 3.76 0.56 0.00 -1.26 -5.06 105.19 103.02 2dmy n GLY 31 Ca 0.08 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.10 3.65 -0.17 0.99 1.43 -1.26 -5.12 118.68 115.11 2dmy s LEU 32 Ca 0.04 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2dmy s LEU 32 Cb -0.01 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.99 2dmy s LEU 32 CO 0.32 0.07 -0.00 0.00 0.23 0.00 0.00 176.35 176.97 2dmy s GLN 33 N -3.06 0.93 0.05 1.70 -2.07 -1.26 -5.13 119.66 110.81 2dmy s GLN 33 Ca 0.30 -0.40 -0.11 0.00 -1.82 0.00 0.00 55.36 53.33 2dmy s GLN 33 Cb -0.10 -1.93 -0.06 0.00 -1.09 0.00 0.00 33.01 29.84 2dmy s GLN 33 CO 0.22 -0.52 0.39 0.71 -1.32 0.00 0.00 175.29 174.77 2dmy s TYR 34 N 1.78 3.62 0.05 9.60 1.51 -1.26 -4.55 117.35 128.11 2dmy s TYR 34 Ca 0.00 0.84 0.03 0.00 -1.01 0.00 0.00 57.07 56.92 2dmy s TYR 34 Cb -0.16 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 2dmy s TYR 34 CO -0.07 0.56 -0.09 0.21 -1.11 0.00 0.00 175.55 175.05 2dmy s LYS 35 N -1.65 0.62 -0.53 -0.62 2.20 -0.78 -4.97 119.74 114.01 2dmy s LYS 35 Ca 0.30 -0.86 -0.16 0.00 -0.36 0.00 0.00 55.97 54.89 2dmy s LYS 35 Cb -0.15 -0.38 0.12 0.00 -1.51 0.00 0.00 37.83 35.91 2dmy s LYS 35 CO 0.16 0.07 0.48 -1.17 -0.36 0.00 0.00 175.35 174.53 2dmy s LEU 36 N -1.77 6.06 0.19 5.43 2.96 -1.26 -0.81 118.68 129.48 2dmy s LEU 36 Ca -0.06 -1.69 -0.21 0.00 -0.22 0.00 0.00 54.13 51.95 2dmy s LEU 36 Cb -0.08 -2.21 0.13 0.00 0.50 0.00 0.00 46.19 44.53 2dmy s LEU 36 CO 0.00 -0.82 1.58 -0.07 -1.32 0.00 0.00 176.35 175.72 2dmy h LEU 37 N 8.87 -1.26 -7.11 -0.68 3.38 -0.24 -3.46 115.31 114.81 2dmy h LEU 37 Ca -0.30 0.24 0.27 0.00 0.09 0.00 0.00 57.88 58.18 2dmy h LEU 37 Cb 1.10 0.62 -0.16 0.00 0.09 0.00 0.00 40.66 42.32 2dmy h LEU 37 CO 1.01 -0.31 0.78 -0.55 0.09 0.00 0.00 178.44 179.46 2dmy s SER 38 N -5.20 -0.12 -0.08 -0.43 0.15 -1.25 -5.05 113.70 101.71 2dmy s SER 38 Ca -0.14 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.48 2dmy s SER 38 Cb 0.16 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 2dmy s SER 38 CO 0.69 -0.31 -0.23 -1.58 1.20 0.00 0.00 173.24 173.01 2dmy s GLN 39 N -2.51 2.85 0.27 5.44 0.74 -1.26 -2.67 119.66 122.52 2dmy s GLN 39 Ca 0.11 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.68 2dmy s GLN 39 Cb 0.01 -2.28 -0.06 0.00 1.10 0.00 0.00 33.01 31.78 2dmy s GLN 39 CO -0.04 0.29 0.06 -1.54 -0.55 0.00 0.00 175.29 173.50 2dmy s SER 40 N 0.08 1.76 0.00 6.67 1.04 -1.17 -4.94 113.70 117.15 2dmy s SER 40 Ca -0.10 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2dmy s SER 40 Cb -0.16 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dmy s SER 40 CO 0.06 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2dmy n GLY 41 N -0.53 -2.07 0.66 7.32 0.00 -1.26 -0.28 105.19 109.03 2dmy n GLY 41 Ca -0.02 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.07 -1.42 0.07 1.61 -0.04 -1.26 -4.81 135.00 129.08 2dmy n PRO 42 Ca 0.00 -0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.20 2dmy n PRO 42 Cb 0.00 -0.31 -0.04 0.00 -0.04 0.00 0.00 33.50 33.11 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 -2.95 0.77 -0.02 0.52 3.14 -1.26 -2.89 118.33 115.65 2dmy n VAL 43 Ca 0.03 -0.60 -0.11 0.00 -2.96 0.00 0.00 64.34 60.70 2dmy n VAL 43 Cb 0.11 -0.44 -0.14 0.00 -1.06 0.00 0.00 33.84 32.31 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 -2.71 1.06 -2.56 1.45 1.44 -1.26 -4.38 115.22 108.25 2dmy n HIS 44 Ca -0.04 0.34 -0.23 0.00 -2.01 0.00 0.00 57.72 55.78 2dmy n HIS 44 Cb 0.66 -1.18 0.00 0.00 0.12 0.00 0.00 29.99 29.59 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 -2.64 4.66 -1.77 1.59 0.00 -1.26 -5.08 120.51 116.00 2dmy n ALA 45 Ca -0.20 -4.11 -0.39 0.00 0.00 0.00 0.00 53.44 48.74 2dmy n ALA 45 Cb 1.05 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.43 4.17 -0.51 0.00 0.04 -1.14 -4.18 135.00 129.95 2dmy s PRO 46 Ca 0.44 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 2dmy s PRO 46 Cb 0.40 -2.82 0.09 0.00 0.04 0.00 0.00 34.50 32.21 2dmy s PRO 46 CO -0.14 -0.25 0.50 0.08 0.04 0.00 0.00 177.00 177.24 2dmy s VAL 47 N -1.31 5.12 -0.61 -0.36 1.01 0.62 -4.47 120.40 120.41 2dmy s VAL 47 Ca 0.54 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2dmy s VAL 47 Cb -0.33 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 31.83 2dmy s VAL 47 CO 0.43 -0.77 1.03 -0.36 0.00 0.00 0.00 175.10 175.43 2dmy s PHE 48 N 1.91 2.66 -0.56 5.22 0.08 -0.95 -3.03 117.98 123.32 2dmy s PHE 48 Ca 0.06 -0.07 -0.23 0.00 0.12 0.00 0.00 56.93 56.81 2dmy s PHE 48 Cb -0.25 -4.27 0.05 0.00 -0.57 0.00 0.00 43.02 37.98 2dmy s PHE 48 CO 0.06 -1.56 0.89 0.99 -0.10 0.00 0.00 175.22 175.50 2dmy s THR 49 N 4.38 4.47 0.60 0.64 2.01 -1.09 -2.92 115.64 123.74 2dmy s THR 49 Ca 0.31 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2dmy s THR 49 Cb -0.12 -4.52 0.05 0.00 0.01 0.00 0.00 72.50 67.93 2dmy s THR 49 CO 0.18 -1.11 0.84 -0.04 -0.69 0.00 0.00 174.62 173.80 2dmy s MET 50 N 3.72 2.33 -0.19 4.92 -1.94 -1.01 0.49 119.30 127.63 2dmy s MET 50 Ca 0.26 -0.79 -0.29 0.00 -1.71 0.00 0.00 55.69 53.17 2dmy s MET 50 Cb -0.14 -2.42 0.12 0.00 2.01 0.00 0.00 34.83 34.39 2dmy s MET 50 CO 0.16 -0.92 0.96 -1.54 -0.01 0.00 0.00 175.02 173.67 2dmy s SER 51 N -4.50 -0.44 0.03 3.03 1.04 0.01 -2.65 113.70 110.22 2dmy s SER 51 Ca 0.59 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 2dmy s SER 51 Cb -0.09 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 2dmy s SER 51 CO 0.40 -0.32 0.04 0.54 0.98 0.00 0.00 173.24 174.89 2dmy s VAL 52 N -0.67 0.14 -0.26 5.02 0.11 -1.05 -1.87 120.40 121.82 2dmy s VAL 52 Ca -0.01 -1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 57.84 2dmy s VAL 52 Cb -0.02 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2dmy s VAL 52 CO 0.00 -0.62 0.06 1.51 -3.33 0.00 0.00 175.10 172.72 2dmy s ASP 53 N -2.01 5.01 -0.02 3.54 -4.77 -1.26 -1.12 116.67 116.04 2dmy s ASP 53 Ca -0.07 -0.44 -0.00 0.00 -3.30 0.00 0.00 52.55 48.74 2dmy s ASP 53 Cb -0.03 -1.88 0.03 0.00 -1.09 0.00 0.00 42.92 39.95 2dmy s ASP 53 CO -0.04 -0.10 0.04 -0.69 0.70 0.00 0.00 175.17 175.08 2dmy s VAL 54 N 1.55 -0.05 -1.69 2.11 1.01 -1.00 -4.86 120.40 117.47 2dmy s VAL 54 Ca 0.05 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2dmy s VAL 54 Cb -0.16 -0.09 0.14 0.00 0.00 0.00 0.00 36.38 36.27 2dmy s VAL 54 CO 0.02 0.08 0.59 -0.67 0.00 0.00 0.00 175.10 175.12 2dmy n ASP 55 N 4.11 -1.98 -1.87 3.32 2.03 -1.26 0.13 116.55 121.03 2dmy n ASP 55 Ca -0.27 -1.10 -0.17 0.00 0.52 0.00 0.00 54.79 53.77 2dmy n ASP 55 Cb 0.51 -2.38 -0.01 0.00 -0.72 0.00 0.00 41.12 38.52 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmy n GLY 56 N -1.55 -0.22 2.85 0.27 0.00 -1.26 -4.98 105.19 100.30 2dmy n GLY 56 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.82 1.32 -0.48 2.61 2.01 0.35 -5.09 115.64 113.53 2dmy s THR 57 Ca 0.00 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.25 2dmy s THR 57 Cb 0.00 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.69 2dmy s THR 57 CO 0.00 -0.45 1.17 -0.89 -0.69 0.00 0.00 174.62 173.77 2dmy s THR 58 N 1.43 4.15 0.35 -0.82 2.01 -1.26 -2.37 115.64 119.13 2dmy s THR 58 Ca 0.04 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 2dmy s THR 58 Cb -0.18 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 2dmy s THR 58 CO -0.14 -1.02 0.58 -0.31 -0.69 0.00 0.00 174.62 173.04 2dmy s TYR 59 N 4.62 3.50 -0.16 4.92 1.51 -0.27 -4.93 117.35 126.54 2dmy s TYR 59 Ca 0.49 0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 56.99 2dmy s TYR 59 Cb -0.08 -2.01 0.08 0.00 -0.11 0.00 0.00 41.96 39.84 2dmy s TYR 59 CO 0.32 0.08 0.33 -1.21 -1.11 0.00 0.00 175.55 173.96 2dmy s GLU 60 N -4.14 0.22 -0.09 -0.62 2.02 -1.26 -2.52 118.70 112.32 2dmy s GLU 60 Ca 0.42 0.85 -0.00 0.00 0.02 0.00 0.00 54.97 56.26 2dmy s GLU 60 Cb -0.10 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.23 2dmy s GLU 60 CO 0.35 -0.29 -0.07 0.00 0.02 0.00 0.00 175.26 175.28 2dmy s ALA 61 N 2.50 1.14 -0.11 5.21 0.00 -1.08 -4.95 121.76 124.46 2dmy s ALA 61 Ca 0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2dmy s ALA 61 Cb -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 2dmy s ALA 61 CO -0.11 -0.30 0.26 -1.54 0.00 0.00 0.00 175.76 174.08 2dmy s SER 62 N 1.51 6.49 0.23 0.00 1.04 -1.26 -2.39 113.70 119.31 2dmy s SER 62 Ca 0.00 0.58 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 2dmy s SER 62 Cb -0.13 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2dmy s SER 62 CO -0.05 0.25 0.18 -0.83 0.98 0.00 0.00 173.24 173.77 2dmy s GLY 63 N -0.33 1.53 0.30 7.32 0.00 -1.15 -4.89 107.32 110.10 2dmy s GLY 63 Ca 0.17 -1.71 0.25 0.00 0.00 0.00 0.00 44.72 43.44 2dmy s GLY 63 CO 0.06 -1.35 1.75 -0.56 0.00 0.00 0.00 173.10 172.99 2dmy h PRO 64 N 2.51 0.00 -3.60 2.90 0.13 -1.90 -2.51 132.00 129.54 2dmy h PRO 64 Ca -0.33 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2dmy h PRO 64 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2dmy h PRO 64 CO 0.49 0.00 -0.26 -1.54 -0.23 0.00 0.00 178.00 176.46 2dmy s SER 65 N -4.43 -0.03 0.21 1.44 1.04 -1.26 -4.59 113.70 106.07 2dmy s SER 65 Ca 0.04 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 2dmy s SER 65 Cb 0.09 0.38 0.28 0.00 0.10 0.00 0.00 66.02 66.87 2dmy s SER 65 CO 0.41 -0.75 1.78 0.50 0.98 0.00 0.00 173.24 176.16 2dmy h LYS 66 N 2.70 0.55 0.63 4.02 3.64 -1.88 -0.09 116.57 126.14 2dmy h LYS 66 Ca -0.34 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2dmy h LYS 66 Cb 1.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2dmy h LYS 66 CO 0.52 0.36 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.39 2dmy h LYS 67 N 0.56 -0.99 -0.47 1.90 1.63 -1.97 -0.43 116.57 116.80 2dmy h LYS 67 Ca 0.31 0.07 0.10 0.00 -0.85 0.00 0.00 60.65 60.28 2dmy h LYS 67 Cb 0.30 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2dmy h LYS 67 CO -0.24 -0.66 0.32 1.79 -3.45 0.00 0.00 179.45 177.21 2dmy h THR 68 N -1.03 0.85 -0.10 1.00 1.35 -1.90 -1.17 112.91 111.92 2dmy h THR 68 Ca -0.08 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 2dmy h THR 68 Cb 0.85 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2dmy h THR 68 CO 0.04 0.03 -0.03 0.00 -0.25 0.00 0.00 175.52 175.31 2dmy h ALA 69 N 1.76 0.13 -0.35 6.62 0.00 -0.40 0.06 119.26 127.08 2dmy h ALA 69 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2dmy h ALA 69 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2dmy h ALA 69 CO -0.03 -0.13 0.00 0.87 0.00 0.00 0.00 179.25 179.96 2dmy h LYS 70 N -0.14 0.55 0.18 0.00 1.57 -0.27 -2.63 116.57 115.83 2dmy h LYS 70 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2dmy h LYS 70 Cb 0.44 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dmy h LYS 70 CO 0.01 0.57 -0.09 1.25 -0.57 0.00 0.00 179.45 180.63 2dmy h LEU 71 N 0.52 -0.21 -0.72 2.94 5.85 -1.16 -3.23 115.31 119.31 2dmy h LEU 71 Ca 0.11 -0.33 0.16 0.00 0.84 0.00 0.00 57.88 58.66 2dmy h LEU 71 Cb 0.34 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.29 2dmy h LEU 71 CO 0.01 0.31 -0.06 0.45 -0.34 0.00 0.00 178.44 178.81 2dmy h HIS 72 N -0.83 -0.16 -0.21 1.25 3.86 -0.93 -1.65 115.15 116.47 2dmy h HIS 72 Ca -0.03 0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2dmy h HIS 72 Cb 0.52 0.18 -0.07 0.00 1.06 0.00 0.00 27.41 29.10 2dmy h HIS 72 CO 0.07 -0.25 -0.55 0.28 0.86 0.00 0.00 177.93 178.34 2dmy h VAL 73 N 0.07 0.00 -0.75 2.45 2.07 -1.53 -1.78 116.25 116.77 2dmy h VAL 73 Ca 0.37 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.02 2dmy h VAL 73 Cb 0.63 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.26 2dmy h VAL 73 CO -0.67 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 176.60 2dmy h ALA 74 N -0.23 0.12 -0.65 1.67 0.00 -1.32 0.10 119.26 118.95 2dmy h ALA 74 Ca 0.04 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.31 2dmy h ALA 74 Cb 0.66 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 2dmy h ALA 74 CO -0.48 -0.61 -0.13 0.28 0.00 0.00 0.00 179.25 178.30 2dmy h VAL 75 N -0.09 0.36 -0.64 0.00 2.07 -1.09 0.97 116.25 117.84 2dmy h VAL 75 Ca 0.29 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.88 2dmy h VAL 75 Cb 0.57 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2dmy h VAL 75 CO -0.80 0.00 0.33 0.11 0.02 0.00 0.00 177.57 177.23 2dmy h LYS 76 N 0.02 0.57 0.24 1.57 1.57 -0.36 -0.48 116.57 119.71 2dmy h LYS 76 Ca 0.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2dmy h LYS 76 Cb 0.50 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dmy h LYS 76 CO -0.65 0.38 -0.14 0.28 -0.57 0.00 0.00 179.45 178.74 2dmy h VAL 77 N 0.59 0.70 -0.93 0.50 2.07 -0.23 -0.69 116.25 118.26 2dmy h VAL 77 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 2dmy h VAL 77 Cb 0.26 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2dmy h VAL 77 CO -0.22 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.89 2dmy h LEU 78 N -0.37 0.92 -0.78 2.57 3.38 -0.80 -1.55 115.31 118.67 2dmy h LEU 78 Ca -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2dmy h LEU 78 Cb 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2dmy h LEU 78 CO 0.03 0.57 0.22 1.56 0.09 0.00 0.00 178.44 180.91 2dmy h GLN 79 N 1.04 1.13 -0.35 1.13 4.20 -0.77 0.23 115.11 121.73 2dmy h GLN 79 Ca 0.41 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2dmy h GLN 79 Cb 0.22 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2dmy h GLN 79 CO -0.19 0.97 0.23 0.00 -0.67 0.00 0.00 178.83 179.16 2dmy h ALA 80 N 1.15 0.45 0.00 3.87 0.00 -0.15 -2.34 119.26 122.24 2dmy h ALA 80 Ca 0.23 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2dmy h ALA 80 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dmy h ALA 80 CO -0.01 -0.08 -0.41 0.52 0.00 0.00 0.00 179.25 179.27 2dmy h MET 81 N 0.47 0.00 0.00 0.00 2.86 -1.23 -3.47 114.93 113.56 2dmy h MET 81 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2dmy h MET 81 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2dmy h MET 81 CO -0.03 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.77 2dmy n GLY 82 N -0.32 1.45 3.94 8.32 0.00 -0.52 -5.12 105.19 112.94 2dmy n GLY 82 Ca -0.02 0.00 -0.27 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 3.49 -0.36 1.61 2.02 0.71 -5.00 117.35 117.81 2dmy s TYR 83 Ca 0.00 0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.55 2dmy s TYR 83 Cb 0.00 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2dmy s TYR 83 CO 0.00 0.52 1.71 -1.25 -1.57 0.00 0.00 175.55 174.96 2dmy s PRO 84 N -3.15 3.37 -0.01 -1.71 0.04 -1.26 -4.37 135.00 127.91 2dmy s PRO 84 Ca 0.35 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2dmy s PRO 84 Cb -0.11 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 2dmy s PRO 84 CO 0.28 -1.82 -0.01 0.25 0.04 0.00 0.00 177.00 175.75 2dmy n THR 85 N 7.33 0.06 -3.36 1.26 -2.24 -1.26 -5.05 114.28 111.02 2dmy n THR 85 Ca 0.21 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.78 2dmy n THR 85 Cb 0.47 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 68.15 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 3.35 -0.26 2.84 3.38 0.00 -1.26 -4.99 105.19 108.26 2dmy n GLY 86 Ca -0.02 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.26 2.74 0.19 1.61 2.19 -1.26 -5.10 117.98 115.09 2dmy s PHE 87 Ca 0.43 -2.91 0.02 0.00 0.33 0.00 0.00 56.93 54.80 2dmy s PHE 87 Cb -0.19 -2.41 -0.03 0.00 -1.31 0.00 0.00 43.02 39.08 2dmy s PHE 87 CO 0.59 -0.73 0.34 0.16 1.83 0.00 0.00 175.22 177.41 2dmy s ASP 88 N -0.22 6.34 -0.74 6.13 -4.77 -1.26 -5.05 116.67 117.10 2dmy s ASP 88 Ca 0.19 0.20 0.03 0.00 -3.30 0.00 0.00 52.55 49.67 2dmy s ASP 88 Cb -0.21 -1.92 0.29 0.00 -1.09 0.00 0.00 42.92 39.99 2dmy s ASP 88 CO -0.03 -0.02 1.05 0.00 0.70 0.00 0.00 175.17 176.87 2dmy n ALA 89 N -0.87 4.66 -2.68 2.11 0.00 -1.26 -4.83 120.51 117.63 2dmy n ALA 89 Ca -0.07 -4.75 -0.22 0.00 0.00 0.00 0.00 53.44 48.40 2dmy n ALA 89 Cb 0.55 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.52 3.53 -0.04 0.00 2.03 -1.26 -4.87 116.55 116.46 2dmy n ASP 90 Ca 0.31 -3.41 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 2dmy n ASP 90 Cb 0.37 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 2dmy n ASP 90 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dmy h ILE 91 N 2.60 1.34 -3.54 5.18 1.08 -2.06 -3.47 117.51 118.64 2dmy h ILE 91 Ca 0.15 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.43 2dmy h ILE 91 Cb 0.90 1.91 -0.10 0.00 -3.07 0.00 0.00 36.82 36.46 2dmy h ILE 91 CO 0.73 0.32 -0.08 -0.94 -0.69 0.00 0.00 178.15 177.49 2dmy s SER 92 N -5.89 -0.13 0.38 1.72 1.04 -1.26 -5.14 113.70 104.41 2dmy s SER 92 Ca -0.15 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.32 2dmy s SER 92 Cb 0.04 0.57 -0.15 0.00 0.10 0.00 0.00 66.02 66.57 2dmy s SER 92 CO 0.72 -1.08 0.12 0.61 0.98 0.00 0.00 173.24 174.58 2dmy n GLY 93 N -0.34 -2.59 3.73 7.32 0.00 -1.26 -4.91 105.19 107.14 2dmy n GLY 93 Ca -0.05 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.97 1.52 -0.47 1.61 0.04 -1.26 -5.01 135.00 130.45 2dmy s PRO 94 Ca 0.58 0.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 2dmy s PRO 94 Cb -0.64 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.16 2dmy s PRO 94 CO 0.61 -2.09 0.37 0.45 0.04 0.00 0.00 177.00 176.38 2dmy s SER 95 N -3.42 5.97 -0.21 6.66 0.15 -1.26 -4.90 113.70 116.69 2dmy s SER 95 Ca 0.63 -1.54 -0.15 0.00 0.70 0.00 0.00 55.95 55.59 2dmy s SER 95 Cb -0.18 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 61.93 2dmy s SER 95 CO 0.57 -0.67 -0.33 -0.24 1.20 0.00 0.00 173.24 173.77 2dmy n SER 96 N 5.10 1.84 0.00 5.45 2.88 -1.26 -5.34 113.62 122.30 2dmy n SER 96 Ca -0.12 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2dmy n SER 96 Cb 0.42 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2dmy n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42