#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 0.61 -1.30 1.61 0.02 -2.03 -3.45 113.55 109.01 2dmy h SER 2 Ca 0.00 -0.72 -0.46 0.00 -0.84 0.00 0.00 61.79 59.77 2dmy h SER 2 Cb 0.00 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.36 2dmy h SER 2 CO 0.00 1.25 -0.26 -0.55 -1.14 0.00 0.00 176.83 176.13 2dmy s SER 3 N -6.81 5.36 0.15 3.07 0.15 -1.26 -5.13 113.70 109.23 2dmy s SER 3 Ca -0.13 -0.62 -0.24 0.00 0.70 0.00 0.00 55.95 55.66 2dmy s SER 3 Cb 0.05 -0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.02 2dmy s SER 3 CO 0.84 -0.85 1.05 -0.83 1.20 0.00 0.00 173.24 174.64 2dmy s GLY 4 N -4.35 -0.07 -0.23 9.45 0.00 -1.26 -5.14 107.32 105.72 2dmy s GLY 4 Ca 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 2dmy s GLY 4 CO 0.32 1.51 0.16 -1.35 0.00 0.00 0.00 173.10 173.74 2dmy s SER 5 N -3.22 2.38 0.00 1.64 1.04 -1.26 -5.14 113.70 109.14 2dmy s SER 5 Ca 0.18 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 2dmy s SER 5 Cb -0.01 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2dmy s SER 5 CO 0.03 -0.38 0.04 -0.44 0.98 0.00 0.00 173.24 173.47 2dmy s SER 6 N 2.20 0.11 -0.47 7.02 0.01 -1.26 -5.10 113.70 116.20 2dmy s SER 6 Ca 0.06 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2dmy s SER 6 Cb -0.16 0.13 0.23 0.00 0.21 0.00 0.00 66.02 66.44 2dmy s SER 6 CO -0.21 -0.24 0.79 0.61 0.41 0.00 0.00 173.24 174.59 2dmy n GLY 7 N 1.94 0.48 3.23 3.44 0.00 -1.26 -5.13 105.19 107.88 2dmy n GLY 7 Ca -0.21 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 0.39 1.76 -0.49 1.61 1.81 -1.26 -5.09 118.95 117.67 2dmy s ARG 8 Ca 0.32 -0.76 0.03 0.00 -1.72 0.00 0.00 55.73 53.60 2dmy s ARG 8 Cb 0.18 -1.68 0.15 0.00 -0.45 0.00 0.00 34.95 33.15 2dmy s ARG 8 CO -0.20 0.44 0.31 -1.59 -0.68 0.00 0.00 175.30 173.59 2dmy s LYS 9 N -0.46 1.46 -0.04 3.54 -2.85 -1.26 -5.10 119.74 115.03 2dmy s LYS 9 Ca 0.07 -2.31 0.05 0.00 -1.00 0.00 0.00 55.97 52.78 2dmy s LYS 9 Cb -0.09 -2.38 -0.02 0.00 -2.06 0.00 0.00 37.83 33.28 2dmy s LYS 9 CO -0.01 -1.23 -0.19 0.42 0.10 0.00 0.00 175.35 174.44 2dmy s ILE 10 N -0.09 2.67 -0.04 3.79 1.09 -1.26 -5.01 121.20 122.36 2dmy s ILE 10 Ca 0.22 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.91 2dmy s ILE 10 Cb -0.15 -2.01 -0.03 0.00 -1.06 0.00 0.00 42.46 39.22 2dmy s ILE 10 CO -0.07 0.58 -0.02 0.00 -0.10 0.00 0.00 174.94 175.34 2dmy n LEU 11 N 2.41 1.78 -3.82 2.97 -0.00 -1.26 -5.02 117.00 114.07 2dmy n LEU 11 Ca -0.17 -0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.60 2dmy n LEU 11 Cb 0.52 -0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.81 2dmy n LEU 11 CO 0.25 0.37 -0.35 -0.67 -0.00 0.00 0.00 177.39 176.99 2dmy n ASP 12 N -2.41 0.68 -3.64 1.45 2.03 -1.26 -4.87 116.55 108.52 2dmy n ASP 12 Ca -0.06 -0.93 -0.08 0.00 0.52 0.00 0.00 54.79 54.24 2dmy n ASP 12 Cb 0.59 -1.15 -0.07 0.00 -0.72 0.00 0.00 41.12 39.76 2dmy n ASP 12 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2dmy s SER 13 N -4.00 -0.66 -0.04 1.67 0.01 -1.26 -5.04 113.70 104.39 2dmy s SER 13 Ca 0.01 1.15 -0.03 0.00 1.31 0.00 0.00 55.95 58.38 2dmy s SER 13 Cb -0.00 1.22 -0.12 0.00 0.21 0.00 0.00 66.02 67.33 2dmy s SER 13 CO 0.73 -0.19 2.86 2.29 0.41 0.00 0.00 173.24 179.34 2dmy n LYS 14 N 3.28 1.62 -3.15 12.44 2.85 -1.26 -4.61 118.16 129.32 2dmy n LYS 14 Ca -0.16 -0.71 0.04 0.00 -1.05 0.00 0.00 58.31 56.43 2dmy n LYS 14 Cb 0.57 -1.60 -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 0.32 -2.69 -1.19 0.58 0.00 -1.26 -5.06 121.76 112.46 2dmy s ALA 15 Ca 0.38 1.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.98 2dmy s ALA 15 Cb 0.19 -2.30 0.22 0.00 0.00 0.00 0.00 23.12 21.23 2dmy s ALA 15 CO -0.01 -1.40 2.07 -0.89 0.00 0.00 0.00 175.76 175.52 2dmy n ILE 16 N 5.44 5.53 -2.51 0.00 5.41 -1.26 -4.59 119.36 127.38 2dmy n ILE 16 Ca -0.03 -5.10 -0.15 0.00 1.00 0.00 0.00 62.75 58.48 2dmy n ILE 16 Cb 0.52 -1.89 0.03 0.00 -0.71 0.00 0.00 39.64 37.59 2dmy n ILE 16 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2dmy n ASP 17 N 1.16 3.08 -0.09 4.38 -0.08 -1.26 -4.85 116.55 118.89 2dmy n ASP 17 Ca 0.52 -3.02 -0.13 0.00 -1.51 0.00 0.00 54.79 50.65 2dmy n ASP 17 Cb 0.27 -0.46 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 2dmy n ASP 17 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dmy n LEU 18 N -0.45 1.78 -0.38 -2.67 4.32 -1.26 -4.49 117.00 113.85 2dmy n LEU 18 Ca 0.24 0.30 0.37 0.00 -0.02 0.00 0.00 56.01 56.90 2dmy n LEU 18 Cb 0.81 -0.69 0.75 0.00 -1.62 0.00 0.00 43.42 42.67 2dmy n LEU 18 CO 0.26 -0.09 1.34 0.00 -1.22 0.00 0.00 177.39 177.69 2dmy h MET 19 N -0.86 0.02 -0.87 3.23 -0.00 -1.98 -1.61 114.93 112.86 2dmy h MET 19 Ca -0.18 -0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.68 2dmy h MET 19 Cb 1.06 -0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.50 2dmy h MET 19 CO -0.11 0.01 -0.26 0.09 -0.00 0.00 0.00 176.91 176.64 2dmy n ASN 20 N -4.18 -0.40 -0.39 -0.10 4.13 -1.26 0.07 115.26 113.14 2dmy n ASN 20 Ca 0.28 1.51 -0.02 0.00 1.68 0.00 0.00 54.58 58.03 2dmy n ASN 20 Cb 1.34 -0.42 0.03 0.00 -1.54 0.00 0.00 39.78 39.19 2dmy n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dmy n ALA 21 N -3.63 -0.18 -0.01 5.41 0.00 -0.61 -0.41 120.51 121.09 2dmy n ALA 21 Ca 0.12 0.97 -0.10 0.00 0.00 0.00 0.00 53.44 54.44 2dmy n ALA 21 Cb 0.41 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.86 -0.43 0.00 3.38 -0.58 -1.94 115.31 114.88 2dmy h LEU 22 Ca 0.33 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.52 2dmy h LEU 22 Cb 0.57 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 2dmy h LEU 22 CO -0.98 -0.32 -0.06 0.24 0.09 0.00 0.00 178.44 177.41 2dmy h MET 23 N -0.34 0.05 -0.02 1.13 2.86 -0.64 -2.44 114.93 115.54 2dmy h MET 23 Ca 0.11 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2dmy h MET 23 Cb 0.50 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 2dmy h MET 23 CO -0.34 0.03 -0.38 0.00 1.06 0.00 0.00 176.91 177.28 2dmy h ARG 24 N 0.05 -0.45 -0.90 1.72 -0.00 -0.31 0.30 114.38 114.79 2dmy h ARG 24 Ca 0.21 0.03 0.25 0.00 -0.50 0.00 0.00 59.98 59.97 2dmy h ARG 24 Cb 0.32 0.10 -0.16 0.00 0.00 0.00 0.00 29.97 30.23 2dmy h ARG 24 CO -0.40 -0.30 0.14 1.25 0.00 0.00 0.00 179.97 180.65 2dmy h LEU 25 N -0.47 -0.21 -0.38 3.04 5.85 -1.10 0.37 115.31 122.41 2dmy h LEU 25 Ca 0.01 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2dmy h LEU 25 Cb 0.51 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2dmy h LEU 25 CO -0.26 -0.24 0.02 0.78 -0.34 0.00 0.00 178.44 178.39 2dmy h ASN 26 N 0.11 0.65 -0.26 1.25 2.35 -0.81 0.25 115.58 119.12 2dmy h ASN 26 Ca 0.56 -0.30 0.06 0.00 -0.55 0.00 0.00 56.30 56.08 2dmy h ASN 26 Cb 1.15 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.27 2dmy h ASN 26 CO -0.76 0.78 -0.29 1.56 -1.65 0.00 0.00 177.43 177.07 2dmy h GLN 27 N 0.49 -0.29 -0.15 0.81 4.20 0.34 -1.06 115.11 119.47 2dmy h GLN 27 Ca 0.11 0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.62 2dmy h GLN 27 Cb 0.44 0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.30 2dmy h GLN 27 CO 0.02 -0.19 -0.79 -0.84 -0.67 0.00 0.00 178.83 176.36 2dmy h ILE 28 N -0.30 1.28 -3.31 2.54 3.07 -1.32 -3.40 117.51 116.08 2dmy h ILE 28 Ca 0.14 -1.99 -0.63 0.00 1.55 0.00 0.00 64.86 63.93 2dmy h ILE 28 Cb 0.51 2.00 -0.40 0.00 -0.27 0.00 0.00 36.82 38.66 2dmy h ILE 28 CO -0.42 0.63 -0.69 -0.13 -1.05 0.00 0.00 178.15 176.48 2dmy s ARG 29 N -3.73 1.55 0.68 0.16 3.00 0.89 -5.11 118.95 116.38 2dmy s ARG 29 Ca -0.10 -2.14 -0.14 0.00 0.00 0.00 0.00 55.73 53.35 2dmy s ARG 29 Cb 0.09 -2.88 0.01 0.00 0.00 0.00 0.00 34.95 32.16 2dmy s ARG 29 CO 0.90 -1.08 1.11 -1.25 0.00 0.00 0.00 175.30 174.98 2dmy s PRO 30 N 0.33 2.70 -0.65 3.54 0.04 -0.45 -3.96 135.00 136.55 2dmy s PRO 30 Ca 0.15 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2dmy s PRO 30 Cb -0.23 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2dmy s PRO 30 CO -0.04 -1.32 0.65 0.41 0.04 0.00 0.00 177.00 176.74 2dmy n GLY 31 N -0.65 -1.03 3.84 0.56 0.00 -1.26 -4.99 105.19 101.67 2dmy n GLY 31 Ca 0.10 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.60 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 -3.72 4.09 -0.22 0.99 1.43 -1.26 -5.10 118.68 114.89 2dmy s LEU 32 Ca 0.12 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2dmy s LEU 32 Cb -0.02 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.66 2dmy s LEU 32 CO 0.82 0.22 -0.15 0.00 0.23 0.00 0.00 176.35 177.46 2dmy s GLN 33 N -2.16 2.62 0.03 1.70 -2.07 -1.26 -5.12 119.66 113.40 2dmy s GLN 33 Ca 0.29 -1.09 -0.02 0.00 -1.82 0.00 0.00 55.36 52.72 2dmy s GLN 33 Cb -0.12 -2.74 -0.04 0.00 -1.09 0.00 0.00 33.01 29.02 2dmy s GLN 33 CO 0.21 -0.39 0.20 0.71 -1.32 0.00 0.00 175.29 174.70 2dmy s TYR 34 N 1.20 3.54 0.04 9.60 1.51 -1.26 -4.71 117.35 127.27 2dmy s TYR 34 Ca -0.02 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2dmy s TYR 34 Cb -0.17 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 2dmy s TYR 34 CO -0.09 0.61 -0.12 0.21 -1.11 0.00 0.00 175.55 175.05 2dmy s LYS 35 N -2.22 0.78 -0.58 -0.62 2.20 -1.09 -4.98 119.74 113.22 2dmy s LYS 35 Ca 0.31 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 2dmy s LYS 35 Cb -0.13 -0.73 0.14 0.00 -1.51 0.00 0.00 37.83 35.60 2dmy s LYS 35 CO 0.23 0.17 0.55 -1.17 -0.36 0.00 0.00 175.35 174.77 2dmy s LEU 36 N -1.31 6.21 0.25 5.43 2.96 -1.26 -1.26 118.68 129.70 2dmy s LEU 36 Ca -0.02 -1.89 -0.09 0.00 -0.22 0.00 0.00 54.13 51.91 2dmy s LEU 36 Cb -0.08 -2.22 0.41 0.00 0.50 0.00 0.00 46.19 44.80 2dmy s LEU 36 CO 0.01 -0.84 1.60 -0.07 -1.32 0.00 0.00 176.35 175.74 2dmy h LEU 37 N 8.82 -0.61 -7.21 -0.68 3.38 -1.13 -3.45 115.31 114.43 2dmy h LEU 37 Ca -0.24 0.23 0.25 0.00 0.09 0.00 0.00 57.88 58.21 2dmy h LEU 37 Cb 1.09 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 42.16 2dmy h LEU 37 CO 1.01 -0.25 0.72 -0.44 0.09 0.00 0.00 178.44 179.57 2dmy s SER 38 N -5.21 -0.14 -0.08 -0.43 0.01 -1.25 -5.06 113.70 101.54 2dmy s SER 38 Ca -0.14 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2dmy s SER 38 Cb 0.23 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.73 2dmy s SER 38 CO 0.76 -0.42 -0.03 -1.58 0.41 0.00 0.00 173.24 172.37 2dmy s GLN 39 N -2.66 0.98 0.13 12.44 -0.44 -1.26 -2.34 119.66 126.51 2dmy s GLN 39 Ca 0.11 -0.06 0.02 0.00 -2.50 0.00 0.00 55.36 52.93 2dmy s GLN 39 Cb 0.01 -1.18 -0.04 0.00 -1.64 0.00 0.00 33.01 30.16 2dmy s GLN 39 CO -0.04 -0.25 -0.04 0.45 0.50 0.00 0.00 175.29 175.91 2dmy s SER 40 N 1.71 1.17 0.00 6.67 0.15 -1.13 -4.53 113.70 117.75 2dmy s SER 40 Ca 0.02 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2dmy s SER 40 Cb -0.13 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2dmy s SER 40 CO -0.05 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2dmy n GLY 41 N -0.12 -1.28 3.63 9.45 0.00 -1.26 0.56 105.19 116.17 2dmy n GLY 41 Ca -0.10 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 2dmy n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmy s PRO 42 N -0.35 -0.52 0.15 1.61 0.04 -1.25 -4.77 135.00 129.91 2dmy s PRO 42 Ca 0.00 0.19 0.08 0.00 0.04 0.00 0.00 61.00 61.31 2dmy s PRO 42 Cb 0.00 -1.66 -0.10 0.00 0.04 0.00 0.00 34.50 32.79 2dmy s PRO 42 CO 0.00 -3.30 1.35 -0.24 0.04 0.00 0.00 177.00 174.85 2dmy h VAL 43 N -2.29 1.64 0.05 -0.36 3.04 -1.98 -1.77 116.25 114.57 2dmy h VAL 43 Ca -0.50 -3.15 -0.30 0.00 -1.01 0.00 0.00 66.70 61.74 2dmy h VAL 43 Cb 1.31 2.71 -0.03 0.00 -2.01 0.00 0.00 31.29 33.27 2dmy h VAL 43 CO 0.45 0.90 -1.66 1.12 -1.01 0.00 0.00 177.57 177.37 2dmy h HIS 44 N 0.00 0.18 -1.77 3.17 2.07 -1.98 -3.38 115.15 113.44 2dmy h HIS 44 Ca -0.01 -0.13 -0.56 0.00 -2.85 0.00 0.00 60.37 56.82 2dmy h HIS 44 Cb 1.64 -0.01 -0.42 0.00 2.57 0.00 0.00 27.41 31.19 2dmy h HIS 44 CO 0.00 1.22 -0.77 0.00 -3.07 0.00 0.00 177.93 175.32 2dmy n ALA 45 N -2.64 4.63 -1.29 6.11 0.00 -1.24 -5.05 120.51 121.03 2dmy n ALA 45 Ca -0.18 -4.31 -0.31 0.00 0.00 0.00 0.00 53.44 48.64 2dmy n ALA 45 Cb 1.04 -0.66 0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.42 2.32 -0.45 0.00 0.04 -0.67 -3.76 135.00 129.06 2dmy s PRO 46 Ca 0.46 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 2dmy s PRO 46 Cb 0.36 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 33.12 2dmy s PRO 46 CO -0.15 -1.59 0.24 0.08 0.04 0.00 0.00 177.00 175.62 2dmy s VAL 47 N -2.83 3.27 -0.61 -0.36 1.01 0.19 -4.30 120.40 116.77 2dmy s VAL 47 Ca 0.62 -2.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.09 2dmy s VAL 47 Cb -0.18 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2dmy s VAL 47 CO 0.54 -0.72 0.88 -0.36 0.00 0.00 0.00 175.10 175.44 2dmy s PHE 48 N 0.85 2.79 -0.40 5.22 0.40 -0.96 -2.82 117.98 123.06 2dmy s PHE 48 Ca 0.10 -0.52 -0.24 0.00 -0.60 0.00 0.00 56.93 55.67 2dmy s PHE 48 Cb -0.22 -4.12 0.02 0.00 0.51 0.00 0.00 43.02 39.21 2dmy s PHE 48 CO -0.04 -1.47 0.84 0.99 0.70 0.00 0.00 175.22 176.25 2dmy s THR 49 N 3.65 4.63 0.37 0.64 2.01 -0.99 -2.59 115.64 123.36 2dmy s THR 49 Ca 0.21 0.82 0.07 0.00 0.31 0.00 0.00 61.69 63.10 2dmy s THR 49 Cb -0.18 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 2dmy s THR 49 CO 0.11 -0.60 0.48 -0.04 -0.69 0.00 0.00 174.62 173.87 2dmy s MET 50 N 3.36 2.92 -0.27 4.92 -1.94 -1.07 -0.55 119.30 126.68 2dmy s MET 50 Ca 0.34 -1.17 -0.19 0.00 -1.71 0.00 0.00 55.69 52.96 2dmy s MET 50 Cb -0.12 -2.72 0.08 0.00 2.01 0.00 0.00 34.83 34.08 2dmy s MET 50 CO 0.21 -0.07 0.69 -1.54 -0.01 0.00 0.00 175.02 174.29 2dmy s SER 51 N -4.21 -0.86 0.04 3.03 1.04 -0.39 -2.52 113.70 109.83 2dmy s SER 51 Ca 0.48 1.47 0.04 0.00 0.48 0.00 0.00 55.95 58.42 2dmy s SER 51 Cb -0.09 1.39 -0.02 0.00 0.10 0.00 0.00 66.02 67.40 2dmy s SER 51 CO 0.31 -0.24 -0.11 0.54 0.98 0.00 0.00 173.24 174.71 2dmy s VAL 52 N 1.18 0.88 -0.57 5.02 0.11 -0.93 -2.67 120.40 123.42 2dmy s VAL 52 Ca -0.06 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 57.94 2dmy s VAL 52 Cb -0.05 -0.83 0.15 0.00 -1.53 0.00 0.00 36.38 34.11 2dmy s VAL 52 CO -0.12 -0.10 0.46 1.51 -3.33 0.00 0.00 175.10 173.51 2dmy s ASP 53 N -1.17 5.88 0.02 3.54 -4.77 -1.26 -0.65 116.67 118.25 2dmy s ASP 53 Ca -0.02 -2.19 0.07 0.00 -3.30 0.00 0.00 52.55 47.12 2dmy s ASP 53 Cb -0.08 -2.05 -0.02 0.00 -1.09 0.00 0.00 42.92 39.68 2dmy s ASP 53 CO 0.01 -0.64 -0.22 -0.69 0.70 0.00 0.00 175.17 174.33 2dmy s VAL 54 N 0.95 1.74 -1.61 2.11 1.01 -0.93 -4.74 120.40 118.93 2dmy s VAL 54 Ca 0.09 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2dmy s VAL 54 Cb -0.23 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.77 2dmy s VAL 54 CO -0.02 0.36 0.64 -0.90 0.00 0.00 0.00 175.10 175.17 2dmy n ASP 55 N 2.17 -2.19 -2.27 3.32 5.68 -1.26 0.74 116.55 122.74 2dmy n ASP 55 Ca -0.16 -1.02 -0.18 0.00 -0.50 0.00 0.00 54.79 52.92 2dmy n ASP 55 Cb 0.53 -2.79 -0.02 0.00 -1.14 0.00 0.00 41.12 37.70 2dmy n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dmy n GLY 56 N -1.64 -0.13 2.81 6.12 0.00 -1.26 -4.95 105.19 106.14 2dmy n GLY 56 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.84 0.81 -0.54 2.61 2.01 0.23 -5.10 115.64 112.82 2dmy s THR 57 Ca 0.00 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 2dmy s THR 57 Cb 0.00 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.40 2dmy s THR 57 CO 0.00 -0.03 1.21 -0.89 -0.69 0.00 0.00 174.62 174.22 2dmy s THR 58 N 1.75 4.04 0.30 -0.82 2.01 -1.26 -2.19 115.64 119.46 2dmy s THR 58 Ca -0.00 0.98 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 2dmy s THR 58 Cb -0.16 -4.64 -0.06 0.00 0.01 0.00 0.00 72.50 67.65 2dmy s THR 58 CO -0.07 -1.20 0.58 -0.31 -0.69 0.00 0.00 174.62 172.93 2dmy s TYR 59 N 4.94 3.47 -0.09 4.92 2.02 0.18 -4.93 117.35 127.86 2dmy s TYR 59 Ca 0.46 0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 57.86 2dmy s TYR 59 Cb -0.08 -2.17 0.05 0.00 -0.40 0.00 0.00 41.96 39.36 2dmy s TYR 59 CO 0.28 0.14 0.18 -1.21 -1.57 0.00 0.00 175.55 173.37 2dmy s GLU 60 N -3.50 0.06 -0.12 -0.62 2.02 -1.26 -2.19 118.70 113.10 2dmy s GLU 60 Ca 0.45 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 56.00 2dmy s GLU 60 Cb -0.11 -0.21 0.06 0.00 0.10 0.00 0.00 34.13 33.97 2dmy s GLU 60 CO 0.29 -0.30 0.25 0.00 0.02 0.00 0.00 175.26 175.52 2dmy s ALA 61 N 2.27 -0.51 0.08 5.21 0.00 -1.05 -4.92 121.76 122.84 2dmy s ALA 61 Ca 0.02 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2dmy s ALA 61 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2dmy s ALA 61 CO -0.06 -0.56 0.10 0.45 0.00 0.00 0.00 175.76 175.68 2dmy s SER 62 N 2.23 5.66 0.34 0.00 0.15 -1.26 -2.58 113.70 118.24 2dmy s SER 62 Ca -0.00 0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.73 2dmy s SER 62 Cb -0.12 -1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2dmy s SER 62 CO -0.08 0.17 0.35 -0.83 1.20 0.00 0.00 173.24 174.05 2dmy s GLY 63 N -2.42 2.11 0.00 9.45 0.00 -1.07 -4.89 107.32 110.50 2dmy s GLY 63 Ca 0.30 -1.92 0.15 0.00 0.00 0.00 0.00 44.72 43.25 2dmy s GLY 63 CO 0.23 -1.33 1.42 -1.55 0.00 0.00 0.00 173.10 171.87 2dmy n PRO 64 N -0.62 0.16 -3.66 2.90 -0.04 -1.26 -2.27 135.00 130.21 2dmy n PRO 64 Ca 0.06 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2dmy n PRO 64 Cb 0.62 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 2dmy n PRO 64 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmy s SER 65 N -2.67 -0.70 0.21 3.54 0.01 -1.26 -4.35 113.70 108.48 2dmy s SER 65 Ca 0.12 1.30 -0.15 0.00 1.31 0.00 0.00 55.95 58.54 2dmy s SER 65 Cb 0.10 1.29 0.23 0.00 0.21 0.00 0.00 66.02 67.85 2dmy s SER 65 CO 0.23 -0.22 1.61 0.50 0.41 0.00 0.00 173.24 175.77 2dmy h LYS 66 N 5.50 -0.04 -0.69 12.44 3.64 -1.86 0.27 116.57 135.83 2dmy h LYS 66 Ca -0.29 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2dmy h LYS 66 Cb 1.18 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.90 2dmy h LYS 66 CO 0.12 -0.03 0.09 1.57 -2.27 0.00 0.00 179.45 178.94 2dmy h LYS 67 N -0.04 0.19 -0.23 1.90 2.10 -1.96 -1.15 116.57 117.37 2dmy h LYS 67 Ca 0.30 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.84 2dmy h LYS 67 Cb 0.50 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2dmy h LYS 67 CO -0.68 0.13 -0.25 1.15 -2.00 0.00 0.00 179.45 177.79 2dmy h THR 68 N 0.20 1.32 -0.78 0.07 2.02 -1.27 -3.25 112.91 111.22 2dmy h THR 68 Ca 0.38 -1.43 0.11 0.00 0.77 0.00 0.00 66.41 66.24 2dmy h THR 68 Cb 0.64 1.71 -0.13 0.00 -1.74 0.00 0.00 68.15 68.64 2dmy h THR 68 CO -0.53 0.44 -0.44 0.00 0.37 0.00 0.00 175.52 175.36 2dmy h ALA 69 N 0.66 -0.21 -0.76 6.16 0.00 0.66 0.32 119.26 126.09 2dmy h ALA 69 Ca 0.03 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2dmy h ALA 69 Cb 0.81 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2dmy h ALA 69 CO 0.06 -0.79 0.33 0.87 0.00 0.00 0.00 179.25 179.73 2dmy h LYS 70 N -0.12 0.49 0.04 0.00 1.57 -1.51 -1.71 116.57 115.34 2dmy h LYS 70 Ca 0.23 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2dmy h LYS 70 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2dmy h LYS 70 CO -0.82 0.32 -0.06 1.25 -0.57 0.00 0.00 179.45 179.57 2dmy h LEU 71 N 0.50 -0.17 0.08 2.94 5.85 -0.49 -2.93 115.31 121.10 2dmy h LEU 71 Ca 0.41 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2dmy h LEU 71 Cb 0.57 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2dmy h LEU 71 CO -0.37 -0.10 -0.53 0.45 -0.34 0.00 0.00 178.44 177.56 2dmy h HIS 72 N -0.13 -1.53 -0.98 1.25 3.86 -0.20 -2.34 115.15 115.09 2dmy h HIS 72 Ca 0.01 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 2dmy h HIS 72 Cb 0.14 0.65 -0.15 0.00 1.06 0.00 0.00 27.41 29.11 2dmy h HIS 72 CO -0.11 -0.59 -0.41 0.28 0.86 0.00 0.00 177.93 177.96 2dmy n VAL 73 N -5.48 -0.54 -0.19 2.45 0.31 -0.84 0.24 118.33 114.28 2dmy n VAL 73 Ca -0.08 2.31 -0.01 0.00 -0.01 0.00 0.00 64.34 66.55 2dmy n VAL 73 Cb 0.41 -3.02 0.07 0.00 -0.91 0.00 0.00 33.84 30.39 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 1.23 0.47 -0.93 3.52 0.00 -1.25 0.21 119.26 122.52 2dmy h ALA 74 Ca 0.31 0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.66 2dmy h ALA 74 Cb 0.56 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 2dmy h ALA 74 CO -0.97 -0.41 0.42 0.28 0.00 0.00 0.00 179.25 178.57 2dmy h VAL 75 N 0.06 0.43 -0.50 0.00 2.07 0.16 0.22 116.25 118.69 2dmy h VAL 75 Ca 0.29 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 2dmy h VAL 75 Cb 0.45 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2dmy h VAL 75 CO -0.54 0.07 0.01 0.11 0.02 0.00 0.00 177.57 177.24 2dmy h LYS 76 N 0.39 0.88 -0.60 1.57 1.57 -0.70 -2.14 116.57 117.53 2dmy h LYS 76 Ca 0.60 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 2dmy h LYS 76 Cb 1.19 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 2dmy h LYS 76 CO -0.55 0.91 0.33 0.28 -0.57 0.00 0.00 179.45 179.85 2dmy h VAL 77 N 0.75 0.99 -0.13 0.50 2.07 -0.13 -1.17 116.25 119.13 2dmy h VAL 77 Ca 0.14 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2dmy h VAL 77 Cb 0.51 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2dmy h VAL 77 CO 0.02 0.12 0.03 -0.07 0.02 0.00 0.00 177.57 177.69 2dmy h LEU 78 N 0.63 0.20 -0.84 2.57 3.38 -1.18 -2.38 115.31 117.69 2dmy h LEU 78 Ca 0.26 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2dmy h LEU 78 Cb 0.13 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2dmy h LEU 78 CO -0.16 0.40 0.47 1.56 0.09 0.00 0.00 178.44 180.80 2dmy h GLN 79 N 0.00 0.74 0.16 1.13 1.08 -1.05 0.30 115.11 117.47 2dmy h GLN 79 Ca 0.04 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2dmy h GLN 79 Cb 0.28 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2dmy h GLN 79 CO 0.00 0.49 -0.08 0.00 -0.95 0.00 0.00 178.83 178.29 2dmy h ALA 80 N 1.48 -0.22 -0.15 3.87 0.00 -1.07 -2.75 119.26 120.41 2dmy h ALA 80 Ca 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2dmy h ALA 80 Cb 0.43 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dmy h ALA 80 CO -0.27 -0.58 -0.10 0.52 0.00 0.00 0.00 179.25 178.81 2dmy h MET 81 N -0.31 0.23 0.00 0.00 2.86 -0.89 -3.46 114.93 113.36 2dmy h MET 81 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2dmy h MET 81 Cb 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2dmy h MET 81 CO 0.04 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.77 2dmy n GLY 82 N -0.95 1.16 3.81 8.32 0.00 0.84 -5.11 105.19 113.27 2dmy n GLY 82 Ca -0.01 0.00 -0.32 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 3.32 -0.57 1.61 2.02 0.09 -5.00 117.35 116.81 2dmy s TYR 83 Ca 0.00 0.19 -0.27 0.00 -0.37 0.00 0.00 57.07 56.62 2dmy s TYR 83 Cb 0.00 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2dmy s TYR 83 CO 0.00 0.56 1.84 -1.25 -1.57 0.00 0.00 175.55 175.13 2dmy s PRO 84 N -2.07 2.75 -0.19 -1.71 0.04 -1.26 -4.32 135.00 128.23 2dmy s PRO 84 Ca 0.27 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 2dmy s PRO 84 Cb -0.12 -4.35 -0.21 0.00 0.04 0.00 0.00 34.50 29.86 2dmy s PRO 84 CO 0.19 -2.58 0.21 0.25 0.04 0.00 0.00 177.00 175.10 2dmy n THR 85 N 7.23 1.61 -2.22 1.26 -2.24 -1.26 -5.05 114.28 113.60 2dmy n THR 85 Ca 0.21 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 2dmy n THR 85 Cb 0.51 -1.93 0.01 0.00 -2.10 0.00 0.00 70.33 66.82 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 1.60 -0.55 0.27 3.38 0.00 -1.26 -5.00 105.19 103.63 2dmy n GLY 86 Ca -0.34 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 2dmy n GLY 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dmy n PHE 87 N -1.57 0.00 -4.00 1.61 7.35 -1.26 -5.06 117.46 114.53 2dmy n PHE 87 Ca -0.01 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2dmy n PHE 87 Cb 0.51 -0.64 -0.10 0.00 0.35 0.00 0.00 39.48 39.60 2dmy n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2dmy s ASP 88 N -6.11 0.29 -0.51 -2.13 1.01 -1.26 -5.05 116.67 102.91 2dmy s ASP 88 Ca -0.24 -0.64 -0.02 0.00 0.71 0.00 0.00 52.55 52.37 2dmy s ASP 88 Cb 0.08 0.16 0.31 0.00 1.01 0.00 0.00 42.92 44.48 2dmy s ASP 88 CO 0.35 -0.43 2.09 0.00 0.21 0.00 0.00 175.17 177.39 2dmy n ALA 89 N 1.01 5.84 -3.15 5.23 0.00 -1.26 -4.75 120.51 123.44 2dmy n ALA 89 Ca -0.20 -2.71 0.04 0.00 0.00 0.00 0.00 53.44 50.57 2dmy n ALA 89 Cb 0.57 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2dmy n ALA 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dmy s ASP 90 N -0.76 -1.31 -0.75 0.00 1.01 -1.26 -5.10 116.67 108.49 2dmy s ASP 90 Ca 0.49 0.58 -0.26 0.00 0.71 0.00 0.00 52.55 54.08 2dmy s ASP 90 Cb 0.38 2.00 0.00 0.00 1.01 0.00 0.00 42.92 46.32 2dmy s ASP 90 CO -0.05 -0.24 1.63 -0.63 0.21 0.00 0.00 175.17 176.08 2dmy s ILE 91 N 2.87 3.57 0.05 0.77 -1.09 -1.26 -4.86 121.20 121.24 2dmy s ILE 91 Ca 0.16 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2dmy s ILE 91 Cb -0.12 -4.42 -0.18 0.00 -1.58 0.00 0.00 42.46 36.15 2dmy s ILE 91 CO -0.21 -1.37 1.48 0.28 -1.23 0.00 0.00 174.94 173.89 2dmy h SER 92 N 12.07 -0.69 0.00 3.58 0.02 -1.98 -3.48 113.55 123.06 2dmy h SER 92 Ca -0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2dmy h SER 92 Cb 1.08 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dmy h SER 92 CO 1.27 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 2dmy n GLY 93 N -1.14 3.50 0.00 -3.77 0.00 -1.26 -4.97 105.19 97.56 2dmy n GLY 93 Ca -0.13 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.54 2dmy n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmy n PRO 94 N -0.92 0.49 -0.06 1.61 -0.04 -1.26 -3.36 135.00 131.45 2dmy n PRO 94 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2dmy n PRO 94 Cb 0.00 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 2dmy n PRO 94 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmy h SER 95 N 0.00 0.00 -3.61 3.54 0.87 -2.03 -3.47 113.55 108.84 2dmy h SER 95 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2dmy h SER 95 Cb 0.00 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 61.64 2dmy h SER 95 CO 0.00 0.64 -0.82 -0.55 -0.53 0.00 0.00 176.83 175.57 2dmy s SER 96 N -5.59 1.81 0.00 6.23 0.15 -1.21 -5.27 113.70 109.81 2dmy s SER 96 Ca -0.09 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 56.47 2dmy s SER 96 Cb 0.01 -0.69 0.17 0.00 -1.71 0.00 0.00 66.02 63.80 2dmy s SER 96 CO 0.13 0.07 1.17 0.61 1.20 0.00 0.00 173.24 176.43