#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy s SER 2 N 0.00 5.76 0.28 1.61 1.04 -1.26 -5.11 113.70 116.03 2dmy s SER 2 Ca 0.00 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.27 2dmy s SER 2 Cb 0.00 -1.86 -0.03 0.00 0.10 0.00 0.00 66.02 64.23 2dmy s SER 2 CO 0.00 -0.96 0.24 -0.44 0.98 0.00 0.00 173.24 173.06 2dmy s SER 3 N -4.26 1.04 -0.58 7.02 0.01 -1.26 -4.94 113.70 110.74 2dmy s SER 3 Ca 0.53 -1.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.18 2dmy s SER 3 Cb -0.11 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2dmy s SER 3 CO 0.46 -1.00 0.49 0.61 0.41 0.00 0.00 173.24 174.21 2dmy n GLY 4 N -0.49 0.17 3.95 3.44 0.00 -1.26 -5.04 105.19 105.96 2dmy n GLY 4 Ca 0.05 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.40 5.83 0.11 1.61 0.01 -1.26 -5.04 113.70 111.56 2dmy s SER 5 Ca 0.12 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2dmy s SER 5 Cb -0.05 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2dmy s SER 5 CO 0.33 -0.72 0.00 -1.20 0.41 0.00 0.00 173.24 172.06 2dmy n SER 6 N -2.13 0.26 0.00 2.44 7.64 -1.26 -4.75 113.62 115.83 2dmy n SER 6 Ca 0.02 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2dmy n SER 6 Cb 0.58 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2dmy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmy n GLY 7 N 2.41 -1.71 3.45 0.23 0.00 -1.26 -4.79 105.19 103.52 2dmy n GLY 7 Ca 0.00 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 2dmy n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dmy s ARG 8 N 0.00 2.99 -0.84 1.61 1.70 -1.26 -5.02 118.95 118.13 2dmy s ARG 8 Ca 0.00 -1.02 -0.18 0.00 -0.47 0.00 0.00 55.73 54.06 2dmy s ARG 8 Cb 0.00 -4.00 0.14 0.00 -0.57 0.00 0.00 34.95 30.52 2dmy s ARG 8 CO 0.00 -0.81 0.99 0.15 -1.08 0.00 0.00 175.30 174.56 2dmy s LYS 9 N 1.76 3.49 -0.18 3.89 -0.14 -1.26 -4.98 119.74 122.31 2dmy s LYS 9 Ca 0.06 -1.75 -0.01 0.00 -1.36 0.00 0.00 55.97 52.92 2dmy s LYS 9 Cb -0.19 -4.69 0.05 0.00 -1.68 0.00 0.00 37.83 31.32 2dmy s LYS 9 CO 0.10 -1.66 -0.03 0.42 -0.76 0.00 0.00 175.35 173.42 2dmy s ILE 10 N 2.36 1.04 0.27 2.17 1.01 -1.26 -5.12 121.20 121.67 2dmy s ILE 10 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2dmy s ILE 10 Cb -0.09 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2dmy s ILE 10 CO -0.06 0.00 0.26 -0.76 0.00 0.00 0.00 174.94 174.39 2dmy s LEU 11 N 1.65 1.28 -0.94 2.97 1.43 -1.26 -5.10 118.68 118.70 2dmy s LEU 11 Ca -0.01 -1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 51.50 2dmy s LEU 11 Cb -0.16 0.71 0.24 0.00 0.03 0.00 0.00 46.19 47.01 2dmy s LEU 11 CO -0.07 -1.01 0.89 1.51 0.23 0.00 0.00 176.35 177.89 2dmy s ASP 12 N -3.24 6.72 -0.90 2.29 -4.77 -1.26 -4.91 116.67 110.60 2dmy s ASP 12 Ca 0.37 -3.29 -0.02 0.00 -3.30 0.00 0.00 52.55 46.31 2dmy s ASP 12 Cb 0.04 -2.12 0.33 0.00 -1.09 0.00 0.00 42.92 40.08 2dmy s ASP 12 CO 0.19 -0.36 1.98 -0.24 0.70 0.00 0.00 175.17 177.44 2dmy n SER 13 N 3.07 7.47 -4.44 2.11 2.88 -1.26 -5.01 113.62 118.44 2dmy n SER 13 Ca 0.19 -3.78 -0.63 0.00 -1.33 0.00 0.00 58.87 53.32 2dmy n SER 13 Cb 0.41 -1.11 -0.11 0.00 -0.75 0.00 0.00 64.21 62.65 2dmy n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dmy n LYS 14 N -0.36 0.01 -3.56 -1.46 5.02 -1.26 -4.71 118.16 111.84 2dmy n LYS 14 Ca 0.52 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.74 2dmy n LYS 14 Cb 0.24 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2dmy n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dmy s ALA 15 N 4.85 -1.96 -0.57 7.82 0.00 -1.26 -4.98 121.76 125.67 2dmy s ALA 15 Ca 1.14 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 54.45 2dmy s ALA 15 Cb -1.49 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 21.56 2dmy s ALA 15 CO 0.72 -0.52 0.43 0.42 0.00 0.00 0.00 175.76 176.81 2dmy s ILE 16 N -2.19 4.26 -1.27 0.00 1.01 -1.26 -4.62 121.20 117.13 2dmy s ILE 16 Ca 0.05 -2.22 -0.05 0.00 0.00 0.00 0.00 60.65 58.43 2dmy s ILE 16 Cb -0.01 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2dmy s ILE 16 CO -0.05 -0.84 1.09 -0.67 0.00 0.00 0.00 174.94 174.48 2dmy n ASP 17 N 4.37 -4.51 0.03 3.58 2.03 -1.26 -4.91 116.55 115.89 2dmy n ASP 17 Ca 0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2dmy n ASP 17 Cb 0.41 -5.01 0.00 0.00 -0.72 0.00 0.00 41.12 35.80 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 -4.58 0.17 -0.25 -2.67 4.77 -1.26 -4.78 117.00 108.39 2dmy n LEU 18 Ca -0.12 0.09 0.32 0.00 -0.03 0.00 0.00 56.01 56.27 2dmy n LEU 18 Cb 0.61 -0.01 0.62 0.00 -2.33 0.00 0.00 43.42 42.31 2dmy n LEU 18 CO 0.62 -0.58 1.29 0.00 -1.33 0.00 0.00 177.39 177.39 2dmy h MET 19 N 0.00 0.00 -0.89 3.23 -0.00 -1.88 -1.06 114.93 114.33 2dmy h MET 19 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 59.70 59.98 2dmy h MET 19 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 31.43 2dmy h MET 19 CO 0.00 0.00 0.15 -1.71 -0.00 0.00 0.00 176.91 175.35 2dmy n ASN 20 N -3.61 0.01 0.19 -0.10 5.15 -1.26 -0.02 115.26 115.62 2dmy n ASN 20 Ca 0.24 1.51 -0.17 0.00 -0.60 0.00 0.00 54.58 55.56 2dmy n ASN 20 Cb 1.37 -0.60 -0.09 0.00 -0.53 0.00 0.00 39.78 39.93 2dmy n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dmy h ALA 21 N 1.79 -0.97 -0.74 5.20 0.00 -1.53 0.15 119.26 123.16 2dmy h ALA 21 Ca 0.60 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.55 2dmy h ALA 21 Cb 1.36 0.75 -0.12 0.00 0.00 0.00 0.00 17.79 19.78 2dmy h ALA 21 CO -0.80 -1.10 0.07 -0.07 0.00 0.00 0.00 179.25 177.35 2dmy h LEU 22 N -0.83 -0.22 -0.95 0.00 3.38 -0.66 0.29 115.31 116.33 2dmy h LEU 22 Ca -0.02 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2dmy h LEU 22 Cb 0.78 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2dmy h LEU 22 CO -0.17 -0.13 0.11 0.24 0.09 0.00 0.00 178.44 178.58 2dmy h MET 23 N 0.15 0.88 0.68 1.13 2.86 -0.96 -2.17 114.93 117.52 2dmy h MET 23 Ca 0.41 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2dmy h MET 23 Cb 0.72 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.26 2dmy h MET 23 CO -0.60 0.81 -0.33 0.00 1.06 0.00 0.00 176.91 177.84 2dmy h ARG 24 N 0.84 -0.89 -0.68 1.72 2.47 0.24 0.24 114.38 118.33 2dmy h ARG 24 Ca 0.18 0.06 0.16 0.00 -1.26 0.00 0.00 59.98 59.12 2dmy h ARG 24 Cb 0.34 0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.82 2dmy h ARG 24 CO 0.00 -0.56 0.47 1.25 0.56 0.00 0.00 179.97 181.69 2dmy h LEU 25 N -1.08 0.22 -0.05 3.04 5.85 -0.99 0.85 115.31 123.16 2dmy h LEU 25 Ca -0.09 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 2dmy h LEU 25 Cb 0.74 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2dmy h LEU 25 CO 0.15 0.11 -1.03 0.78 -0.34 0.00 0.00 178.44 178.11 2dmy h ASN 26 N 0.23 0.17 -0.05 1.25 2.35 -1.16 -0.68 115.58 117.69 2dmy h ASN 26 Ca 0.33 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2dmy h ASN 26 Cb 0.97 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 2dmy h ASN 26 CO -0.07 1.09 0.03 1.56 -1.65 0.00 0.00 177.43 178.39 2dmy h GLN 27 N 0.04 0.07 0.18 0.81 1.08 0.20 -2.83 115.11 114.65 2dmy h GLN 27 Ca -0.05 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.83 2dmy h GLN 27 Cb 1.75 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 29.19 2dmy h GLN 27 CO 0.15 0.10 -1.41 -0.84 -0.95 0.00 0.00 178.83 175.88 2dmy h ILE 28 N 0.01 1.33 -3.48 2.54 3.07 -1.54 -3.41 117.51 116.04 2dmy h ILE 28 Ca 0.02 -2.86 -0.65 0.00 1.55 0.00 0.00 64.86 62.92 2dmy h ILE 28 Cb 0.05 2.95 -0.40 0.00 -0.27 0.00 0.00 36.82 39.14 2dmy h ILE 28 CO -0.00 0.85 -0.63 -0.13 -1.05 0.00 0.00 178.15 177.18 2dmy s ARG 29 N -2.62 1.88 0.56 0.16 3.00 -0.26 -5.10 118.95 116.57 2dmy s ARG 29 Ca -0.07 -2.39 -0.19 0.00 0.00 0.00 0.00 55.73 53.08 2dmy s ARG 29 Cb 0.06 -3.33 -0.05 0.00 0.00 0.00 0.00 34.95 31.63 2dmy s ARG 29 CO 0.90 -1.07 1.13 -1.25 0.00 0.00 0.00 175.30 175.01 2dmy s PRO 30 N 0.10 3.25 -0.53 3.54 0.04 -1.07 -4.02 135.00 136.31 2dmy s PRO 30 Ca 0.15 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 2dmy s PRO 30 Cb -0.24 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2dmy s PRO 30 CO -0.03 -0.92 0.64 0.41 0.04 0.00 0.00 177.00 177.14 2dmy n GLY 31 N 0.04 -0.79 3.96 0.56 0.00 -1.26 -5.00 105.19 102.69 2dmy n GLY 31 Ca 0.11 1.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.98 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 -3.04 3.99 -0.17 0.99 1.43 -1.26 -5.11 118.68 115.51 2dmy s LEU 32 Ca 0.23 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2dmy s LEU 32 Cb -0.04 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.55 2dmy s LEU 32 CO 0.82 -0.32 0.01 0.00 0.23 0.00 0.00 176.35 177.09 2dmy s GLN 33 N -4.09 0.82 -0.33 1.70 -2.07 -1.26 -5.11 119.66 109.32 2dmy s GLN 33 Ca 0.41 -0.38 -0.11 0.00 -1.82 0.00 0.00 55.36 53.46 2dmy s GLN 33 Cb -0.09 -1.93 -0.01 0.00 -1.09 0.00 0.00 33.01 29.89 2dmy s GLN 33 CO 0.30 -0.55 0.19 0.71 -1.32 0.00 0.00 175.29 174.62 2dmy s TYR 34 N 1.82 3.20 0.25 9.60 2.02 -1.26 -4.64 117.35 128.34 2dmy s TYR 34 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2dmy s TYR 34 Cb -0.16 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 2dmy s TYR 34 CO -0.07 -0.44 0.43 0.21 -1.57 0.00 0.00 175.55 174.11 2dmy s LYS 35 N 1.65 3.50 -0.77 -0.62 2.47 -0.90 -4.86 119.74 120.21 2dmy s LYS 35 Ca 0.05 -0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 53.96 2dmy s LYS 35 Cb -0.17 -2.80 0.20 0.00 -1.46 0.00 0.00 37.83 33.60 2dmy s LYS 35 CO 0.08 0.33 0.66 -1.17 0.16 0.00 0.00 175.35 175.41 2dmy s LEU 36 N -3.73 6.01 0.19 5.43 2.96 -1.26 -0.19 118.68 128.09 2dmy s LEU 36 Ca 0.38 -2.91 -0.18 0.00 -0.22 0.00 0.00 54.13 51.19 2dmy s LEU 36 Cb -0.10 -2.04 0.15 0.00 0.50 0.00 0.00 46.19 44.70 2dmy s LEU 36 CO 0.31 -0.44 1.37 0.18 -1.32 0.00 0.00 176.35 176.45 2dmy n LEU 37 N 3.54 -0.66 -3.61 -0.68 4.77 -0.43 -4.75 117.00 115.18 2dmy n LEU 37 Ca 0.13 1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 57.61 2dmy n LEU 37 Cb 0.42 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2dmy n LEU 37 CO 0.34 -1.36 1.01 -0.55 -1.33 0.00 0.00 177.39 175.50 2dmy s SER 38 N -5.35 -0.16 -0.10 -1.43 0.15 -1.25 -5.08 113.70 100.50 2dmy s SER 38 Ca -0.12 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 2dmy s SER 38 Cb 0.16 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 2dmy s SER 38 CO 0.61 -0.18 0.01 -1.58 1.20 0.00 0.00 173.24 173.30 2dmy s GLN 39 N -1.50 3.09 -0.01 5.44 0.74 -1.26 -2.99 119.66 123.17 2dmy s GLN 39 Ca 0.06 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.09 2dmy s GLN 39 Cb -0.01 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.26 2dmy s GLN 39 CO -0.04 0.66 -0.06 -1.54 -0.55 0.00 0.00 175.29 173.76 2dmy s SER 40 N -0.75 0.75 0.00 6.67 1.04 -0.47 -4.91 113.70 116.03 2dmy s SER 40 Ca 0.12 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2dmy s SER 40 Cb -0.12 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2dmy s SER 40 CO 0.02 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dmy n GLY 41 N 3.15 0.55 1.41 7.32 0.00 -1.26 0.15 105.19 116.51 2dmy n GLY 41 Ca -0.16 -2.32 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.53 -1.88 0.02 1.61 -0.04 -1.25 -4.73 135.00 128.20 2dmy n PRO 42 Ca 0.00 -0.70 -0.10 0.00 -0.04 0.00 0.00 63.50 62.66 2dmy n PRO 42 Cb 0.00 -0.66 -0.13 0.00 -0.04 0.00 0.00 33.50 32.67 2dmy n PRO 42 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dmy h VAL 43 N -2.00 1.19 0.06 0.52 3.04 -1.98 -2.32 116.25 114.76 2dmy h VAL 43 Ca -0.17 -2.95 -0.29 0.00 -1.01 0.00 0.00 66.70 62.28 2dmy h VAL 43 Cb 0.51 2.63 -0.03 0.00 -2.01 0.00 0.00 31.29 32.39 2dmy h VAL 43 CO 0.11 0.73 -1.56 1.12 -1.01 0.00 0.00 177.57 176.96 2dmy h HIS 44 N 0.02 0.23 -1.42 3.17 2.07 -2.00 -3.37 115.15 113.83 2dmy h HIS 44 Ca -0.19 -0.17 -0.55 0.00 -2.85 0.00 0.00 60.37 56.62 2dmy h HIS 44 Cb 1.93 -0.01 -0.42 0.00 2.57 0.00 0.00 27.41 31.49 2dmy h HIS 44 CO 0.01 1.23 -0.82 0.00 -3.07 0.00 0.00 177.93 175.29 2dmy n ALA 45 N -2.61 4.76 -1.61 6.11 0.00 -1.26 -5.09 120.51 120.81 2dmy n ALA 45 Ca -0.16 -4.10 -0.34 0.00 0.00 0.00 0.00 53.44 48.84 2dmy n ALA 45 Cb 1.03 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.46 3.01 -0.38 0.00 0.04 -0.87 -3.84 135.00 129.50 2dmy s PRO 46 Ca 0.44 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 2dmy s PRO 46 Cb 0.41 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 33.03 2dmy s PRO 46 CO -0.15 -1.09 0.20 0.08 0.04 0.00 0.00 177.00 176.08 2dmy s VAL 47 N -2.12 4.21 -0.46 -0.36 1.01 0.41 -4.38 120.40 118.71 2dmy s VAL 47 Ca 0.69 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2dmy s VAL 47 Cb -0.22 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2dmy s VAL 47 CO 0.36 -0.34 0.72 -0.36 0.00 0.00 0.00 175.10 175.49 2dmy s PHE 48 N 1.46 3.01 -0.47 5.22 0.40 -0.58 -1.36 117.98 125.65 2dmy s PHE 48 Ca 0.01 -0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 2dmy s PHE 48 Cb -0.21 -3.56 0.05 0.00 0.51 0.00 0.00 43.02 39.80 2dmy s PHE 48 CO 0.04 -0.99 0.52 0.99 0.70 0.00 0.00 175.22 176.48 2dmy s THR 49 N 3.09 5.01 0.28 0.64 2.01 -1.16 -1.95 115.64 123.55 2dmy s THR 49 Ca 0.25 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2dmy s THR 49 Cb -0.14 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2dmy s THR 49 CO 0.19 -0.63 0.47 -0.04 -0.69 0.00 0.00 174.62 173.93 2dmy s MET 50 N 2.30 3.50 -0.11 4.92 -1.94 -0.41 -1.32 119.30 126.25 2dmy s MET 50 Ca 0.13 -0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 53.68 2dmy s MET 50 Cb -0.19 -2.75 0.05 0.00 2.01 0.00 0.00 34.83 33.94 2dmy s MET 50 CO 0.12 0.28 0.26 -1.54 -0.01 0.00 0.00 175.02 174.14 2dmy s SER 51 N -3.65 -0.29 0.19 3.03 1.04 0.73 -1.55 113.70 113.20 2dmy s SER 51 Ca 0.39 0.56 0.07 0.00 0.48 0.00 0.00 55.95 57.46 2dmy s SER 51 Cb -0.10 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2dmy s SER 51 CO 0.32 -0.16 -0.14 0.54 0.98 0.00 0.00 173.24 174.78 2dmy s VAL 52 N 1.16 1.66 -0.23 5.02 0.11 -0.51 -2.11 120.40 125.51 2dmy s VAL 52 Ca -0.08 -2.13 0.01 0.00 -2.93 0.00 0.00 61.98 56.84 2dmy s VAL 52 Cb -0.09 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 2dmy s VAL 52 CO -0.08 -0.57 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.19 2dmy s ASP 53 N -3.17 3.97 -0.04 3.54 1.11 -1.26 0.13 116.67 120.96 2dmy s ASP 53 Ca 0.20 -0.96 0.00 0.00 0.18 0.00 0.00 52.55 51.98 2dmy s ASP 53 Cb -0.01 -1.57 0.03 0.00 1.07 0.00 0.00 42.92 42.43 2dmy s ASP 53 CO 0.06 -0.10 -0.01 -0.69 1.18 0.00 0.00 175.17 175.60 2dmy s VAL 54 N 1.25 0.30 -1.28 -1.27 1.01 -0.27 -4.87 120.40 115.27 2dmy s VAL 54 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2dmy s VAL 54 Cb -0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2dmy s VAL 54 CO -0.07 0.19 0.67 -0.67 0.00 0.00 0.00 175.10 175.21 2dmy n ASP 55 N 4.32 -2.22 -0.72 3.32 2.03 -1.26 -0.16 116.55 121.85 2dmy n ASP 55 Ca -0.22 -0.90 -0.08 0.00 0.52 0.00 0.00 54.79 54.10 2dmy n ASP 55 Cb 0.50 -3.74 -0.04 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.67 0.80 3.10 0.27 0.00 -1.26 -4.91 105.19 101.51 2dmy n GLY 56 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.62 2.37 -0.30 2.61 2.01 0.78 -5.09 115.64 116.40 2dmy s THR 57 Ca 0.00 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 60.27 2dmy s THR 57 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.17 2dmy s THR 57 CO 0.00 0.02 0.84 -0.89 -0.69 0.00 0.00 174.62 173.90 2dmy s THR 58 N 1.16 4.75 0.13 -0.82 2.01 -1.26 -1.11 115.64 120.50 2dmy s THR 58 Ca -0.06 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.27 2dmy s THR 58 Cb -0.19 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2dmy s THR 58 CO -0.05 -0.27 0.28 -0.31 -0.69 0.00 0.00 174.62 173.58 2dmy s TYR 59 N 3.06 3.49 -0.07 4.92 1.51 0.12 -4.94 117.35 125.44 2dmy s TYR 59 Ca 0.35 0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.55 2dmy s TYR 59 Cb -0.14 -1.71 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2dmy s TYR 59 CO 0.12 0.52 0.15 -1.21 -1.11 0.00 0.00 175.55 174.02 2dmy s GLU 60 N -3.07 0.07 -0.04 -0.62 2.02 -1.26 -1.42 118.70 114.38 2dmy s GLU 60 Ca 0.35 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.76 2dmy s GLU 60 Cb -0.11 -0.21 0.03 0.00 0.10 0.00 0.00 34.13 33.93 2dmy s GLU 60 CO 0.28 -0.21 0.09 0.00 0.02 0.00 0.00 175.26 175.44 2dmy s ALA 61 N 1.55 -0.14 0.00 5.21 0.00 -0.59 -4.89 121.76 122.90 2dmy s ALA 61 Ca -0.05 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2dmy s ALA 61 Cb -0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2dmy s ALA 61 CO -0.06 -0.11 -0.01 -1.54 0.00 0.00 0.00 175.76 174.04 2dmy s SER 62 N 0.87 5.06 0.34 0.00 1.04 -1.26 -1.28 113.70 118.47 2dmy s SER 62 Ca -0.07 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2dmy s SER 62 Cb -0.09 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.72 2dmy s SER 62 CO -0.04 0.27 0.40 -0.83 0.98 0.00 0.00 173.24 174.03 2dmy s GLY 63 N -1.58 1.86 0.50 7.32 0.00 -0.82 -4.85 107.32 109.74 2dmy s GLY 63 Ca 0.20 -1.76 0.29 0.00 0.00 0.00 0.00 44.72 43.44 2dmy s GLY 63 CO 0.10 -1.20 1.94 -0.56 0.00 0.00 0.00 173.10 173.38 2dmy h PRO 64 N 2.12 0.00 -3.02 2.90 0.13 -1.88 -1.55 132.00 130.69 2dmy h PRO 64 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 2dmy h PRO 64 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 2dmy h PRO 64 CO 0.38 0.12 -0.30 -1.12 -0.23 0.00 0.00 178.00 176.85 2dmy s SER 65 N -5.98 -0.23 0.17 1.44 0.01 -1.26 -4.43 113.70 103.43 2dmy s SER 65 Ca 0.00 0.25 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 2dmy s SER 65 Cb 0.10 0.42 0.04 0.00 0.21 0.00 0.00 66.02 66.80 2dmy s SER 65 CO 0.59 -0.34 1.56 0.50 0.41 0.00 0.00 173.24 175.96 2dmy h LYS 66 N 4.44 -0.18 -0.98 12.44 3.64 -1.86 0.23 116.57 134.30 2dmy h LYS 66 Ca -0.29 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.41 2dmy h LYS 66 Cb 1.18 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.86 2dmy h LYS 66 CO 0.37 -0.12 0.20 1.57 -2.27 0.00 0.00 179.45 179.20 2dmy h LYS 67 N -0.19 0.03 0.32 1.90 2.10 -1.97 0.08 116.57 118.85 2dmy h LYS 67 Ca 0.19 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 2dmy h LYS 67 Cb 0.55 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2dmy h LYS 67 CO -0.74 0.02 -0.15 1.15 -2.00 0.00 0.00 179.45 177.73 2dmy h THR 68 N 0.04 0.54 -0.76 0.07 2.02 -1.01 -3.13 112.91 110.68 2dmy h THR 68 Ca 0.66 -0.74 0.13 0.00 0.77 0.00 0.00 66.41 67.24 2dmy h THR 68 Cb 1.50 0.85 -0.13 0.00 -1.74 0.00 0.00 68.15 68.63 2dmy h THR 68 CO -0.85 0.12 -0.26 0.00 0.37 0.00 0.00 175.52 174.90 2dmy n ALA 69 N -2.58 0.01 -0.32 6.16 0.00 -0.04 0.21 120.51 123.97 2dmy n ALA 69 Ca -0.09 0.79 -0.02 0.00 0.00 0.00 0.00 53.44 54.13 2dmy n ALA 69 Cb 0.27 -0.40 0.11 0.00 0.00 0.00 0.00 19.45 19.42 2dmy n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dmy h LYS 70 N 0.00 1.06 -0.56 0.00 1.57 -1.48 -1.47 116.57 115.69 2dmy h LYS 70 Ca 0.30 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2dmy h LYS 70 Cb 0.50 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2dmy h LYS 70 CO -0.77 0.70 0.18 1.25 -0.57 0.00 0.00 179.45 180.24 2dmy h LEU 71 N 1.09 0.81 0.73 2.94 5.85 0.26 -3.12 115.31 123.88 2dmy h LEU 71 Ca 0.34 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2dmy h LEU 71 Cb -0.00 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.82 2dmy h LEU 71 CO -0.11 0.80 -0.35 0.45 -0.34 0.00 0.00 178.44 178.89 2dmy h HIS 72 N 0.78 -0.90 -0.72 1.25 3.86 -0.24 -2.93 115.15 116.25 2dmy h HIS 72 Ca 0.18 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.49 2dmy h HIS 72 Cb 0.28 0.30 -0.12 0.00 1.06 0.00 0.00 27.41 28.92 2dmy h HIS 72 CO 0.02 -0.56 -0.25 0.28 0.86 0.00 0.00 177.93 178.27 2dmy n VAL 73 N -4.74 -0.36 0.08 2.45 0.31 -0.60 0.50 118.33 115.96 2dmy n VAL 73 Ca -0.12 1.68 -0.13 0.00 -0.01 0.00 0.00 64.34 65.76 2dmy n VAL 73 Cb 0.38 -2.24 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 2dmy n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dmy h ALA 74 N 1.11 -0.57 -0.94 3.52 0.00 -1.49 -1.95 119.26 118.95 2dmy h ALA 74 Ca 0.28 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.40 2dmy h ALA 74 Cb 0.46 0.61 -0.17 0.00 0.00 0.00 0.00 17.79 18.69 2dmy h ALA 74 CO -0.72 -0.89 0.03 0.28 0.00 0.00 0.00 179.25 177.95 2dmy h VAL 75 N -0.54 0.10 0.02 0.00 2.07 0.23 0.27 116.25 118.41 2dmy h VAL 75 Ca 0.05 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2dmy h VAL 75 Cb 0.60 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2dmy h VAL 75 CO -0.26 0.01 -0.04 0.11 0.02 0.00 0.00 177.57 177.41 2dmy h LYS 76 N 0.04 -0.07 0.02 1.57 1.57 -0.96 -2.25 116.57 116.49 2dmy h LYS 76 Ca 0.56 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.36 2dmy h LYS 76 Cb 1.12 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 2dmy h LYS 76 CO -0.86 -0.05 -0.34 0.28 -0.57 0.00 0.00 179.45 177.91 2dmy h VAL 77 N -0.08 0.00 -0.84 0.50 2.07 -0.04 -0.57 116.25 117.29 2dmy h VAL 77 Ca 0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.74 2dmy h VAL 77 Cb 0.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.71 2dmy h VAL 77 CO -0.02 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.66 2dmy h LEU 78 N -0.44 -0.11 -1.11 2.57 3.38 -1.34 0.49 115.31 118.74 2dmy h LEU 78 Ca 0.00 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2dmy h LEU 78 Cb 0.47 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2dmy h LEU 78 CO -0.21 -0.16 0.60 1.56 0.09 0.00 0.00 178.44 180.32 2dmy h GLN 79 N 0.18 1.10 -0.46 1.13 4.20 -0.72 0.22 115.11 120.77 2dmy h GLN 79 Ca 0.50 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.11 2dmy h GLN 79 Cb 0.98 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2dmy h GLN 79 CO -0.66 0.73 0.15 0.00 -0.67 0.00 0.00 178.83 178.39 2dmy h ALA 80 N 1.47 0.60 0.00 3.87 0.00 0.15 -2.64 119.26 122.71 2dmy h ALA 80 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2dmy h ALA 80 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2dmy h ALA 80 CO -0.12 0.24 -0.31 0.52 0.00 0.00 0.00 179.25 179.59 2dmy h MET 81 N 0.60 0.00 -0.09 0.00 2.86 -0.75 -3.47 114.93 114.09 2dmy h MET 81 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2dmy h MET 81 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2dmy h MET 81 CO -0.01 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.68 2dmy n GLY 82 N 0.44 1.23 3.83 8.32 0.00 0.51 -5.10 105.19 114.43 2dmy n GLY 82 Ca 0.01 -0.09 -0.25 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 -2.09 3.21 -0.21 1.61 2.02 0.26 -5.00 117.35 117.14 2dmy s TYR 83 Ca 0.00 -0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.39 2dmy s TYR 83 Cb 0.00 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 2dmy s TYR 83 CO 0.00 0.52 1.61 -1.25 -1.57 0.00 0.00 175.55 174.85 2dmy s PRO 84 N -3.31 3.83 -0.18 -1.71 0.04 -1.26 -4.34 135.00 128.06 2dmy s PRO 84 Ca 0.32 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 2dmy s PRO 84 Cb -0.10 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.33 2dmy s PRO 84 CO 0.25 -1.25 -0.20 0.25 0.04 0.00 0.00 177.00 176.09 2dmy n THR 85 N 6.33 0.99 -2.61 1.26 -2.24 -1.26 -5.05 114.28 111.69 2dmy n THR 85 Ca 0.19 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 2dmy n THR 85 Cb 0.45 -1.46 0.01 0.00 -2.10 0.00 0.00 70.33 67.23 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 2.23 -1.18 3.17 3.38 0.00 -1.26 -4.89 105.19 106.63 2dmy n GLY 86 Ca -0.33 0.92 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.39 -0.55 0.22 1.61 2.19 -1.26 -4.92 117.98 112.88 2dmy s PHE 87 Ca 0.18 1.16 -0.18 0.00 0.33 0.00 0.00 56.93 58.42 2dmy s PHE 87 Cb -0.05 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 41.85 2dmy s PHE 87 CO 0.62 -0.35 0.56 0.34 1.83 0.00 0.00 175.22 178.22 2dmy s ASP 88 N 1.85 -0.25 -0.62 6.13 2.15 -1.26 -5.05 116.67 119.62 2dmy s ASP 88 Ca -0.06 -0.54 -0.02 0.00 0.43 0.00 0.00 52.55 52.36 2dmy s ASP 88 Cb -0.10 0.61 0.38 0.00 -0.30 0.00 0.00 42.92 43.50 2dmy s ASP 88 CO -0.11 -1.12 2.07 0.00 -0.17 0.00 0.00 175.17 175.84 2dmy n ALA 89 N -0.37 6.15 -2.19 3.66 0.00 -1.26 -4.58 120.51 121.92 2dmy n ALA 89 Ca -0.08 -3.21 -0.31 0.00 0.00 0.00 0.00 53.44 49.84 2dmy n ALA 89 Cb 0.62 -1.75 0.02 0.00 0.00 0.00 0.00 19.45 18.34 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dmy n ASP 90 N -0.56 5.77 -4.39 0.00 5.75 -1.26 -5.06 116.55 116.80 2dmy n ASP 90 Ca 0.55 -3.76 -0.38 0.00 -0.01 0.00 0.00 54.79 51.19 2dmy n ASP 90 Cb 0.58 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2dmy n ILE 91 N -0.55 1.48 -1.59 2.12 -0.00 -1.26 -4.85 119.36 114.70 2dmy n ILE 91 Ca 0.46 -0.47 -0.38 0.00 -0.00 0.00 0.00 62.75 62.36 2dmy n ILE 91 Cb 0.57 -0.50 0.05 0.00 -0.00 0.00 0.00 39.64 39.76 2dmy n ILE 91 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2dmy n SER 92 N 0.92 0.48 0.00 7.28 3.41 -1.26 -4.84 113.62 119.61 2dmy n SER 92 Ca 0.10 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2dmy n SER 92 Cb 0.48 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2dmy n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmy n GLY 93 N 1.37 0.43 3.70 5.00 0.00 -1.26 -5.08 105.19 109.35 2dmy n GLY 93 Ca 0.14 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.33 0.85 -0.22 1.61 0.04 -1.26 -5.05 135.00 130.63 2dmy s PRO 94 Ca 0.00 0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.73 2dmy s PRO 94 Cb 0.00 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.81 2dmy s PRO 94 CO 0.00 -2.48 -0.15 0.45 0.04 0.00 0.00 177.00 174.86 2dmy s SER 95 N -3.44 3.80 0.00 6.66 0.15 -1.26 -4.97 113.70 114.65 2dmy s SER 95 Ca 0.64 -1.04 0.27 0.00 0.70 0.00 0.00 55.95 56.52 2dmy s SER 95 Cb -0.18 -1.50 1.58 0.00 -1.71 0.00 0.00 66.02 64.21 2dmy s SER 95 CO 0.57 -0.10 1.95 -1.54 1.20 0.00 0.00 173.24 175.32 2dmy n SER 96 N 4.53 0.00 -0.38 5.45 3.41 -1.26 -5.31 113.62 120.05 2dmy n SER 96 Ca -0.17 -0.91 0.05 0.00 -0.26 0.00 0.00 58.87 57.57 2dmy n SER 96 Cb 0.46 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2dmy n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49