#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 0.23 -5.08 1.61 0.02 -2.05 -3.44 113.55 104.84 2dmy h SER 2 Ca 0.00 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2dmy h SER 2 Cb 0.00 0.11 -0.14 0.00 0.14 0.00 0.00 62.40 62.51 2dmy h SER 2 CO 0.00 0.06 -0.16 -0.94 -1.14 0.00 0.00 176.83 174.66 2dmy s SER 3 N -5.30 -0.16 0.00 3.07 1.04 -1.26 -5.04 113.70 106.05 2dmy s SER 3 Ca -0.12 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2dmy s SER 3 Cb 0.21 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2dmy s SER 3 CO 0.76 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dmy n GLY 4 N 0.03 0.17 3.45 7.32 0.00 -1.26 -5.13 105.19 109.77 2dmy n GLY 4 Ca -0.17 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2dmy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmy s SER 5 N -1.85 -0.65 0.11 1.61 0.15 -1.26 -5.04 113.70 106.78 2dmy s SER 5 Ca 0.00 1.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.78 2dmy s SER 5 Cb 0.00 1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 65.35 2dmy s SER 5 CO 0.00 -0.20 0.30 -0.44 1.20 0.00 0.00 173.24 174.10 2dmy s SER 6 N 0.94 6.42 -0.70 5.45 0.01 -1.26 -5.06 113.70 119.50 2dmy s SER 6 Ca -0.05 0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.57 2dmy s SER 6 Cb -0.05 -2.02 0.18 0.00 0.21 0.00 0.00 66.02 64.34 2dmy s SER 6 CO -0.08 0.09 0.55 -0.83 0.41 0.00 0.00 173.24 173.38 2dmy s GLY 7 N -2.57 2.59 -0.81 3.44 0.00 -1.26 -5.02 107.32 103.70 2dmy s GLY 7 Ca 0.38 -3.33 -0.20 0.00 0.00 0.00 0.00 44.72 41.58 2dmy s GLY 7 CO 0.27 1.15 1.01 0.50 0.00 0.00 0.00 173.10 176.02 2dmy s ARG 8 N -0.10 3.39 0.23 2.90 0.52 -1.26 -5.01 118.95 119.62 2dmy s ARG 8 Ca 0.18 -1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 53.59 2dmy s ARG 8 Cb -0.17 -4.62 -0.11 0.00 0.52 0.00 0.00 34.95 30.57 2dmy s ARG 8 CO -0.05 -1.73 1.60 -1.59 0.02 0.00 0.00 175.30 173.55 2dmy s LYS 9 N 2.92 4.16 -0.08 3.54 -2.85 -1.26 -5.01 119.74 121.17 2dmy s LYS 9 Ca 0.26 2.50 -0.04 0.00 -1.00 0.00 0.00 55.97 57.69 2dmy s LYS 9 Cb -0.11 -3.08 0.04 0.00 -2.06 0.00 0.00 37.83 32.62 2dmy s LYS 9 CO -0.02 -0.63 0.18 0.42 0.10 0.00 0.00 175.35 175.39 2dmy s ILE 10 N 0.60 -0.09 -0.15 3.79 1.01 -1.26 -5.15 121.20 119.95 2dmy s ILE 10 Ca 0.68 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 61.39 2dmy s ILE 10 Cb -0.47 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 41.75 2dmy s ILE 10 CO 0.39 0.08 0.40 -0.76 0.00 0.00 0.00 174.94 175.05 2dmy s LEU 11 N 1.41 0.49 -0.17 2.97 1.43 -1.26 -5.07 118.68 118.47 2dmy s LEU 11 Ca -0.07 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.63 2dmy s LEU 11 Cb -0.11 1.37 -0.15 0.00 0.03 0.00 0.00 46.19 47.32 2dmy s LEU 11 CO -0.07 -0.15 0.22 -2.24 0.23 0.00 0.00 176.35 174.34 2dmy h ASP 12 N 5.47 0.00 -5.02 2.29 2.03 -2.07 -3.50 116.42 115.62 2dmy h ASP 12 Ca -0.27 -0.45 -0.03 0.00 -0.73 0.00 0.00 57.03 55.55 2dmy h ASP 12 Cb 1.18 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.56 2dmy h ASP 12 CO 0.26 1.16 0.14 -0.55 -1.03 0.00 0.00 179.24 179.22 2dmy s SER 13 N -6.39 -0.49 -0.57 4.15 0.15 -1.26 -5.12 113.70 104.16 2dmy s SER 13 Ca -0.22 -0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.11 2dmy s SER 13 Cb 0.03 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2dmy s SER 13 CO 0.48 -0.93 1.14 -0.54 1.20 0.00 0.00 173.24 174.59 2dmy s LYS 14 N -3.65 3.47 0.82 5.44 1.02 -1.26 -5.02 119.74 120.56 2dmy s LYS 14 Ca 0.01 0.13 -0.14 0.00 0.02 0.00 0.00 55.97 55.99 2dmy s LYS 14 Cb -0.00 -4.02 0.21 0.00 -0.52 0.00 0.00 37.83 33.49 2dmy s LYS 14 CO -0.12 -1.64 0.53 0.00 -0.92 0.00 0.00 175.35 173.21 2dmy n ALA 15 N 8.22 -2.78 -0.40 5.17 0.00 -1.26 -4.86 120.51 124.60 2dmy n ALA 15 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 53.44 52.53 2dmy n ALA 15 Cb 0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2dmy n ALA 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dmy h ILE 16 N -2.77 0.00 -0.48 0.00 5.03 -1.95 -3.42 117.51 113.91 2dmy h ILE 16 Ca -0.23 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.73 2dmy h ILE 16 Cb 0.76 0.00 -0.23 0.00 -3.03 0.00 0.00 36.82 34.32 2dmy h ILE 16 CO 0.14 0.00 0.20 -0.62 -0.68 0.00 0.00 178.15 177.19 2dmy s ASP 17 N -5.44 -0.46 0.01 1.72 -1.08 -1.26 -5.09 116.67 105.07 2dmy s ASP 17 Ca -0.13 0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 2dmy s ASP 17 Cb 0.14 1.43 0.00 0.00 -1.46 0.00 0.00 42.92 43.03 2dmy s ASP 17 CO 0.65 -0.09 0.00 0.18 0.52 0.00 0.00 175.17 176.44 2dmy n LEU 18 N 5.24 0.02 -0.61 -1.34 4.32 -1.26 -4.55 117.00 118.82 2dmy n LEU 18 Ca -0.07 0.02 0.49 0.00 -0.02 0.00 0.00 56.01 56.42 2dmy n LEU 18 Cb 0.54 0.00 0.80 0.00 -1.62 0.00 0.00 43.42 43.14 2dmy n LEU 18 CO -0.08 -0.51 1.44 0.00 -1.22 0.00 0.00 177.39 177.02 2dmy h MET 19 N 0.00 0.00 -0.08 3.23 -0.00 -1.97 0.28 114.93 116.40 2dmy h MET 19 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.74 2dmy h MET 19 Cb 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.55 2dmy h MET 19 CO 0.00 0.00 -0.20 -0.91 -0.00 0.00 0.00 176.91 175.80 2dmy h ASN 20 N 0.00 -0.61 -1.04 -0.10 4.21 -1.94 -1.63 115.58 114.48 2dmy h ASN 20 Ca 0.85 0.10 0.35 0.00 1.21 0.00 0.00 56.30 58.80 2dmy h ASN 20 Cb 3.37 0.27 -0.09 0.00 -1.12 0.00 0.00 38.32 40.75 2dmy h ASN 20 CO -0.03 -0.26 0.68 0.00 -1.29 0.00 0.00 177.43 176.53 2dmy n ALA 21 N -2.62 1.02 0.10 -0.83 0.00 0.99 0.18 120.51 119.35 2dmy n ALA 21 Ca -0.04 0.60 -0.05 0.00 0.00 0.00 0.00 53.44 53.95 2dmy n ALA 21 Cb 0.25 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.27 -0.89 0.00 3.38 -1.45 -2.94 115.31 113.14 2dmy h LEU 22 Ca 0.63 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.83 2dmy h LEU 22 Cb 2.11 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 42.81 2dmy h LEU 22 CO -0.29 0.09 0.38 0.24 0.09 0.00 0.00 178.44 178.95 2dmy h MET 23 N -0.89 0.38 0.60 1.13 2.86 -0.24 -1.83 114.93 116.93 2dmy h MET 23 Ca -0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2dmy h MET 23 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2dmy h MET 23 CO 0.05 0.25 -0.44 0.00 1.06 0.00 0.00 176.91 177.83 2dmy h ARG 24 N 0.39 -0.96 -1.26 1.72 2.47 -1.02 0.27 114.38 115.98 2dmy h ARG 24 Ca 0.56 0.07 0.39 0.00 -1.26 0.00 0.00 59.98 59.73 2dmy h ARG 24 Cb 1.06 0.22 -0.11 0.00 -1.65 0.00 0.00 29.97 29.48 2dmy h ARG 24 CO -0.53 -0.64 0.83 1.25 0.56 0.00 0.00 179.97 181.44 2dmy h LEU 25 N -1.00 0.27 -0.05 3.04 5.85 -1.15 0.44 115.31 122.71 2dmy h LEU 25 Ca -0.08 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2dmy h LEU 25 Cb 0.82 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.94 2dmy h LEU 25 CO 0.03 -0.09 -0.42 0.78 -0.34 0.00 0.00 178.44 178.40 2dmy h ASN 26 N 0.16 0.46 -0.58 1.25 2.35 -0.95 0.30 115.58 118.58 2dmy h ASN 26 Ca 0.74 -0.69 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2dmy h ASN 26 Cb 2.31 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 40.48 2dmy h ASN 26 CO -0.34 1.08 0.25 1.56 -1.65 0.00 0.00 177.43 178.33 2dmy h GLN 27 N -0.12 0.44 0.11 0.81 1.08 0.19 -0.99 115.11 116.63 2dmy h GLN 27 Ca -0.04 -0.03 -0.28 0.00 -1.45 0.00 0.00 58.65 56.85 2dmy h GLN 27 Cb 1.10 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2dmy h GLN 27 CO 0.09 0.29 -1.33 -0.84 -0.95 0.00 0.00 178.83 176.09 2dmy h ILE 28 N 0.46 1.39 -2.94 2.54 3.07 -1.28 -3.41 117.51 117.33 2dmy h ILE 28 Ca 0.28 -3.00 -0.61 0.00 1.55 0.00 0.00 64.86 63.08 2dmy h ILE 28 Cb 0.28 2.87 -0.40 0.00 -0.27 0.00 0.00 36.82 39.30 2dmy h ILE 28 CO -0.25 0.87 -0.75 -0.13 -1.05 0.00 0.00 178.15 176.84 2dmy s ARG 29 N -2.65 1.28 0.54 0.16 1.81 0.11 -5.10 118.95 115.11 2dmy s ARG 29 Ca -0.05 -2.03 -0.19 0.00 -1.72 0.00 0.00 55.73 51.73 2dmy s ARG 29 Cb 0.07 -2.29 -0.06 0.00 -0.45 0.00 0.00 34.95 32.23 2dmy s ARG 29 CO 0.87 -1.18 1.13 -1.25 -0.68 0.00 0.00 175.30 174.19 2dmy s PRO 30 N 0.30 3.36 -0.61 3.54 0.04 -0.42 -3.99 135.00 137.21 2dmy s PRO 30 Ca 0.19 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2dmy s PRO 30 Cb -0.22 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2dmy s PRO 30 CO -0.01 -0.84 0.66 0.41 0.04 0.00 0.00 177.00 177.25 2dmy n GLY 31 N 0.15 -1.27 3.81 0.56 0.00 -1.26 -5.03 105.19 102.16 2dmy n GLY 31 Ca 0.12 0.78 -0.24 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.44 3.82 -0.27 0.99 1.43 -1.26 -5.11 118.68 114.84 2dmy s LEU 32 Ca 0.10 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2dmy s LEU 32 Cb -0.03 -2.39 0.08 0.00 0.03 0.00 0.00 46.19 43.89 2dmy s LEU 32 CO 0.75 0.01 0.04 0.00 0.23 0.00 0.00 176.35 177.39 2dmy s GLN 33 N -3.50 1.00 0.05 1.70 -2.07 -1.26 -5.12 119.66 110.46 2dmy s GLN 33 Ca 0.32 -0.97 -0.23 0.00 -1.82 0.00 0.00 55.36 52.66 2dmy s GLN 33 Cb -0.09 -2.28 -0.06 0.00 -1.09 0.00 0.00 33.01 29.49 2dmy s GLN 33 CO 0.24 -0.80 0.69 0.71 -1.32 0.00 0.00 175.29 174.81 2dmy s TYR 34 N 1.55 3.76 0.03 9.60 1.51 -1.26 -4.60 117.35 127.93 2dmy s TYR 34 Ca 0.03 1.39 0.06 0.00 -1.01 0.00 0.00 57.07 57.54 2dmy s TYR 34 Cb -0.18 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 38.95 2dmy s TYR 34 CO -0.15 0.38 -0.18 0.15 -1.11 0.00 0.00 175.55 174.64 2dmy s LYS 35 N -0.42 1.28 -0.73 -0.62 3.01 -0.44 -4.92 119.74 116.90 2dmy s LYS 35 Ca 0.34 -0.80 -0.15 0.00 -1.01 0.00 0.00 55.97 54.35 2dmy s LYS 35 Cb -0.20 -1.32 0.18 0.00 -1.01 0.00 0.00 37.83 35.48 2dmy s LYS 35 CO 0.21 0.34 0.70 -1.17 0.51 0.00 0.00 175.35 175.95 2dmy s LEU 36 N -0.95 6.39 0.25 3.17 2.96 -1.26 0.13 118.68 129.38 2dmy s LEU 36 Ca 0.06 -2.28 -0.12 0.00 -0.22 0.00 0.00 54.13 51.56 2dmy s LEU 36 Cb -0.08 -2.23 0.36 0.00 0.50 0.00 0.00 46.19 44.74 2dmy s LEU 36 CO 0.01 -0.73 1.57 -0.07 -1.32 0.00 0.00 176.35 175.81 2dmy h LEU 37 N 8.44 -1.03 -7.00 -0.68 3.38 -1.04 -3.45 115.31 113.93 2dmy h LEU 37 Ca -0.04 0.29 0.22 0.00 0.09 0.00 0.00 57.88 58.43 2dmy h LEU 37 Cb 1.06 0.63 -0.19 0.00 0.09 0.00 0.00 40.66 42.25 2dmy h LEU 37 CO 0.89 -0.30 0.75 -0.55 0.09 0.00 0.00 178.44 179.31 2dmy s SER 38 N -5.28 -0.19 -0.10 -0.43 0.15 -1.25 -5.07 113.70 101.54 2dmy s SER 38 Ca -0.15 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.55 2dmy s SER 38 Cb 0.24 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2dmy s SER 38 CO 0.75 -0.30 -0.14 -1.58 1.20 0.00 0.00 173.24 173.17 2dmy s GLN 39 N -2.37 2.08 0.15 5.44 -0.44 -1.26 -2.80 119.66 120.47 2dmy s GLN 39 Ca 0.08 -0.52 0.02 0.00 -2.50 0.00 0.00 55.36 52.44 2dmy s GLN 39 Cb -0.01 -1.78 -0.04 0.00 -1.64 0.00 0.00 33.01 29.53 2dmy s GLN 39 CO -0.05 -0.06 -0.02 -1.12 0.50 0.00 0.00 175.29 174.54 2dmy s SER 40 N 0.98 1.16 0.00 6.67 0.01 -1.13 -4.67 113.70 116.72 2dmy s SER 40 Ca -0.07 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2dmy s SER 40 Cb -0.15 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dmy s SER 40 CO -0.01 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2dmy n GLY 41 N -0.17 -1.29 3.59 3.44 0.00 -1.26 0.29 105.19 109.78 2dmy n GLY 41 Ca -0.08 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.29 -1.34 0.12 1.61 0.04 -1.25 -4.78 135.00 129.11 2dmy s PRO 42 Ca 0.00 -0.11 0.10 0.00 0.04 0.00 0.00 61.00 61.03 2dmy s PRO 42 Cb 0.00 -1.59 -0.15 0.00 0.04 0.00 0.00 34.50 32.80 2dmy s PRO 42 CO 0.00 -3.78 1.19 -0.24 0.04 0.00 0.00 177.00 174.21 2dmy h VAL 43 N -2.63 1.33 0.02 -0.36 3.04 -1.98 -2.40 116.25 113.26 2dmy h VAL 43 Ca -0.44 -2.97 -0.30 0.00 -1.01 0.00 0.00 66.70 61.97 2dmy h VAL 43 Cb 1.29 2.64 -0.05 0.00 -2.01 0.00 0.00 31.29 33.16 2dmy h VAL 43 CO 0.32 0.76 -1.76 0.00 -1.01 0.00 0.00 177.57 175.87 2dmy n HIS 44 N -3.25 1.01 -2.63 3.17 1.44 -1.26 -4.39 115.22 109.32 2dmy n HIS 44 Ca -0.03 0.34 -0.25 0.00 -2.01 0.00 0.00 57.72 55.78 2dmy n HIS 44 Cb 0.91 -1.18 -0.01 0.00 0.12 0.00 0.00 29.99 29.83 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 -2.62 4.69 -1.25 1.59 0.00 -1.25 -5.05 120.51 116.62 2dmy n ALA 45 Ca -0.19 -4.26 -0.31 0.00 0.00 0.00 0.00 53.44 48.68 2dmy n ALA 45 Cb 1.05 -0.64 0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.44 2.12 -0.36 0.00 0.04 -0.90 -3.81 135.00 128.65 2dmy s PRO 46 Ca 0.46 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2dmy s PRO 46 Cb 0.38 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 33.12 2dmy s PRO 46 CO -0.15 -1.73 0.10 0.08 0.04 0.00 0.00 177.00 175.34 2dmy s VAL 47 N -2.91 2.97 -0.53 -0.36 1.01 0.14 -4.20 120.40 116.52 2dmy s VAL 47 Ca 0.61 -1.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 2dmy s VAL 47 Cb -0.17 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.32 2dmy s VAL 47 CO 0.56 -0.47 0.72 -0.36 0.00 0.00 0.00 175.10 175.55 2dmy s PHE 48 N 1.13 2.97 -0.55 5.22 0.40 -0.69 -2.82 117.98 123.63 2dmy s PHE 48 Ca 0.04 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.70 2dmy s PHE 48 Cb -0.21 -3.75 0.07 0.00 0.51 0.00 0.00 43.02 39.65 2dmy s PHE 48 CO -0.04 -1.16 0.72 0.99 0.70 0.00 0.00 175.22 176.42 2dmy s THR 49 N 3.00 4.75 0.29 0.64 2.01 -1.12 -2.35 115.64 122.86 2dmy s THR 49 Ca 0.18 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 2dmy s THR 49 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2dmy s THR 49 CO 0.13 -1.01 0.51 -0.04 -0.69 0.00 0.00 174.62 173.53 2dmy s MET 50 N 2.93 3.55 -0.10 4.92 -1.94 -0.98 -0.39 119.30 127.29 2dmy s MET 50 Ca 0.16 -0.20 -0.06 0.00 -1.71 0.00 0.00 55.69 53.89 2dmy s MET 50 Cb -0.20 -2.70 0.04 0.00 2.01 0.00 0.00 34.83 33.98 2dmy s MET 50 CO 0.11 0.23 0.24 -1.54 -0.01 0.00 0.00 175.02 174.05 2dmy s SER 51 N -3.48 -0.25 0.12 3.03 1.04 0.36 -2.43 113.70 112.09 2dmy s SER 51 Ca 0.41 0.50 0.04 0.00 0.48 0.00 0.00 55.95 57.39 2dmy s SER 51 Cb -0.10 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2dmy s SER 51 CO 0.32 -0.14 -0.11 0.54 0.98 0.00 0.00 173.24 174.83 2dmy s VAL 52 N 0.91 1.12 -0.29 5.02 0.11 -1.11 -1.32 120.40 124.83 2dmy s VAL 52 Ca -0.06 -1.84 -0.05 0.00 -2.93 0.00 0.00 61.98 57.10 2dmy s VAL 52 Cb -0.08 -1.61 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2dmy s VAL 52 CO -0.06 -0.61 0.04 1.51 -3.33 0.00 0.00 175.10 172.65 2dmy s ASP 53 N -2.77 4.92 -0.07 3.54 -4.77 -1.26 -1.08 116.67 115.18 2dmy s ASP 53 Ca 0.11 -0.92 0.01 0.00 -3.30 0.00 0.00 52.55 48.45 2dmy s ASP 53 Cb -0.01 -1.80 0.02 0.00 -1.09 0.00 0.00 42.92 40.04 2dmy s ASP 53 CO 0.01 -0.21 -0.09 -0.69 0.70 0.00 0.00 175.17 174.89 2dmy s VAL 54 N 1.40 0.92 -1.60 2.11 1.01 -0.80 -4.81 120.40 118.63 2dmy s VAL 54 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2dmy s VAL 54 Cb -0.18 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.40 2dmy s VAL 54 CO 0.00 0.32 0.48 -0.67 0.00 0.00 0.00 175.10 175.22 2dmy n ASP 55 N 4.06 -1.25 -1.93 3.32 -0.08 -1.26 0.11 116.55 119.52 2dmy n ASP 55 Ca -0.22 -1.10 -0.17 0.00 -1.51 0.00 0.00 54.79 51.79 2dmy n ASP 55 Cb 0.51 -2.46 -0.01 0.00 2.34 0.00 0.00 41.12 41.50 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 -1.80 -0.22 2.79 0.27 0.00 -1.26 -4.98 105.19 99.99 2dmy n GLY 56 Ca -0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.85 0.96 -0.40 2.61 2.01 0.29 -5.10 115.64 113.17 2dmy s THR 57 Ca 0.00 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.60 2dmy s THR 57 Cb 0.00 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 71.01 2dmy s THR 57 CO 0.00 -0.38 1.12 -0.89 -0.69 0.00 0.00 174.62 173.78 2dmy s THR 58 N 1.62 4.33 0.32 -0.82 2.01 -1.26 -1.90 115.64 119.94 2dmy s THR 58 Ca 0.02 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 2dmy s THR 58 Cb -0.18 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 2dmy s THR 58 CO -0.14 -0.75 0.53 -0.31 -0.69 0.00 0.00 174.62 173.26 2dmy s TYR 59 N 4.12 3.49 -0.11 4.92 1.51 -0.24 -4.93 117.35 126.10 2dmy s TYR 59 Ca 0.47 0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 56.86 2dmy s TYR 59 Cb -0.10 -1.91 0.06 0.00 -0.11 0.00 0.00 41.96 39.90 2dmy s TYR 59 CO 0.24 0.17 0.24 -1.21 -1.11 0.00 0.00 175.55 173.88 2dmy s GLU 60 N -4.09 0.14 -0.03 -0.62 2.02 -1.26 -2.77 118.70 112.08 2dmy s GLU 60 Ca 0.40 0.66 -0.01 0.00 0.02 0.00 0.00 54.97 56.04 2dmy s GLU 60 Cb -0.10 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.07 2dmy s GLU 60 CO 0.34 -0.26 0.05 0.00 0.02 0.00 0.00 175.26 175.42 2dmy s ALA 61 N 2.11 0.13 -0.11 5.21 0.00 -1.02 -4.92 121.76 123.16 2dmy s ALA 61 Ca -0.01 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2dmy s ALA 61 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2dmy s ALA 61 CO -0.08 -0.32 0.09 -1.54 0.00 0.00 0.00 175.76 173.91 2dmy s SER 62 N 1.68 5.99 0.24 0.00 1.04 -1.26 -2.31 113.70 119.07 2dmy s SER 62 Ca -0.02 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.81 2dmy s SER 62 Cb -0.12 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 2dmy s SER 62 CO -0.03 0.39 0.19 0.61 0.98 0.00 0.00 173.24 175.37 2dmy n GLY 63 N 2.12 3.26 0.22 7.32 0.00 -0.99 -4.92 105.19 112.21 2dmy n GLY 63 Ca -0.19 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.35 1.61 0.13 -1.90 -1.85 132.00 126.64 2dmy h PRO 64 Ca -0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 2dmy h PRO 64 Cb 0.85 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.82 2dmy h PRO 64 CO 0.26 0.26 -0.24 -1.12 -0.23 0.00 0.00 178.00 176.92 2dmy s SER 65 N -6.32 -0.11 0.23 1.44 0.01 -1.26 -3.96 113.70 103.73 2dmy s SER 65 Ca -0.01 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 2dmy s SER 65 Cb 0.11 0.37 0.36 0.00 0.21 0.00 0.00 66.02 67.07 2dmy s SER 65 CO 0.65 -0.65 1.64 0.50 0.41 0.00 0.00 173.24 175.79 2dmy h LYS 66 N 3.10 0.09 -0.07 12.44 3.64 -1.88 -0.43 116.57 133.47 2dmy h LYS 66 Ca -0.32 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2dmy h LYS 66 Cb 1.20 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2dmy h LYS 66 CO 0.47 0.06 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.18 2dmy h LYS 67 N 0.09 -0.33 -0.82 1.90 3.64 -1.96 -1.69 116.57 117.40 2dmy h LYS 67 Ca 0.37 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.91 2dmy h LYS 67 Cb 0.62 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.42 2dmy h LYS 67 CO -0.62 -0.22 0.41 1.15 -2.27 0.00 0.00 179.45 177.91 2dmy h THR 68 N -0.34 0.74 -0.13 1.00 2.02 -1.82 -2.79 112.91 111.59 2dmy h THR 68 Ca 0.02 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.00 2dmy h THR 68 Cb 0.39 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2dmy h THR 68 CO -0.24 0.11 -0.17 0.00 0.37 0.00 0.00 175.52 175.58 2dmy h ALA 69 N 1.54 -0.43 -0.94 6.16 0.00 -0.19 0.31 119.26 125.70 2dmy h ALA 69 Ca 0.44 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.61 2dmy h ALA 69 Cb 0.60 0.85 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2dmy h ALA 69 CO -0.35 -0.52 0.44 0.87 0.00 0.00 0.00 179.25 179.69 2dmy h LYS 70 N -0.12 0.35 -0.45 0.00 1.57 -1.17 0.26 116.57 117.01 2dmy h LYS 70 Ca 0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2dmy h LYS 70 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2dmy h LYS 70 CO -0.19 0.23 0.20 1.25 -0.57 0.00 0.00 179.45 180.37 2dmy h LEU 71 N 0.36 0.60 0.71 2.94 5.85 -0.86 -2.82 115.31 122.09 2dmy h LEU 71 Ca 0.62 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.17 2dmy h LEU 71 Cb 1.28 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.17 2dmy h LEU 71 CO -0.58 0.57 -0.34 0.45 -0.34 0.00 0.00 178.44 178.21 2dmy h HIS 72 N 0.58 -0.89 -0.86 1.25 3.86 0.30 -2.80 115.15 116.60 2dmy h HIS 72 Ca 0.15 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.51 2dmy h HIS 72 Cb 0.14 0.29 -0.16 0.00 1.06 0.00 0.00 27.41 28.74 2dmy h HIS 72 CO -0.01 -0.55 -0.22 0.28 0.86 0.00 0.00 177.93 178.30 2dmy h VAL 73 N -0.97 0.14 -0.45 2.45 2.07 -1.17 0.25 116.25 118.56 2dmy h VAL 73 Ca -0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2dmy h VAL 73 Cb 0.74 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2dmy h VAL 73 CO 0.16 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.79 2dmy h ALA 74 N 1.84 0.46 -0.74 1.67 0.00 -1.36 -1.77 119.26 119.36 2dmy h ALA 74 Ca 0.41 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.60 2dmy h ALA 74 Cb 0.63 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 2dmy h ALA 74 CO -0.89 -0.36 0.07 0.28 0.00 0.00 0.00 179.25 178.36 2dmy h VAL 75 N 0.16 0.41 -0.23 0.00 2.07 -0.24 0.07 116.25 118.49 2dmy h VAL 75 Ca 0.22 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.71 2dmy h VAL 75 Cb 0.31 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2dmy h VAL 75 CO -0.34 0.03 0.09 0.11 0.02 0.00 0.00 177.57 177.48 2dmy h LYS 76 N 0.16 0.20 -0.30 1.57 1.57 -1.07 0.20 116.57 118.90 2dmy h LYS 76 Ca 0.41 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.23 2dmy h LYS 76 Cb 0.72 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 2dmy h LYS 76 CO -0.60 0.13 0.00 0.28 -0.57 0.00 0.00 179.45 178.69 2dmy h VAL 77 N 0.21 0.78 0.14 0.50 2.07 -0.73 0.23 116.25 119.44 2dmy h VAL 77 Ca 0.10 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2dmy h VAL 77 Cb 0.05 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2dmy h VAL 77 CO -0.09 0.02 -0.07 -0.07 0.02 0.00 0.00 177.57 177.38 2dmy h LEU 78 N 0.09 -0.16 -0.94 2.57 3.38 -0.93 -2.59 115.31 116.74 2dmy h LEU 78 Ca 0.14 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2dmy h LEU 78 Cb 0.19 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2dmy h LEU 78 CO -0.24 0.10 0.57 1.56 0.09 0.00 0.00 178.44 180.52 2dmy h GLN 79 N -0.41 0.91 -0.25 1.13 1.08 -0.38 0.39 115.11 117.57 2dmy h GLN 79 Ca -0.02 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2dmy h GLN 79 Cb 0.33 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2dmy h GLN 79 CO 0.03 0.60 0.11 0.00 -0.95 0.00 0.00 178.83 178.62 2dmy h ALA 80 N 1.50 0.29 -0.08 3.87 0.00 -0.42 -2.57 119.26 121.85 2dmy h ALA 80 Ca 0.46 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 2dmy h ALA 80 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2dmy h ALA 80 CO -0.25 -0.29 -0.62 0.52 0.00 0.00 0.00 179.25 178.60 2dmy h MET 81 N 0.24 0.29 0.00 0.00 2.86 -0.95 -3.47 114.93 113.89 2dmy h MET 81 Ca 0.10 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2dmy h MET 81 Cb 0.04 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2dmy h MET 81 CO -0.08 0.82 0.00 0.41 1.06 0.00 0.00 176.91 179.11 2dmy n GLY 82 N 0.31 1.24 3.81 8.32 0.00 0.12 -5.11 105.19 113.88 2dmy n GLY 82 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.31 -0.31 1.61 2.02 0.03 -4.99 117.35 117.02 2dmy s TYR 83 Ca 0.00 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.59 2dmy s TYR 83 Cb 0.00 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2dmy s TYR 83 CO 0.00 0.55 1.67 -1.25 -1.57 0.00 0.00 175.55 174.95 2dmy s PRO 84 N -2.13 3.54 -0.21 -1.71 0.04 -1.26 -4.21 135.00 129.05 2dmy s PRO 84 Ca 0.28 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 2dmy s PRO 84 Cb -0.12 -4.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.20 2dmy s PRO 84 CO 0.20 -1.61 -0.24 0.25 0.04 0.00 0.00 177.00 175.64 2dmy n THR 85 N 7.03 1.18 -1.46 1.26 -2.24 -1.26 -5.00 114.28 113.78 2dmy n THR 85 Ca 0.20 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2dmy n THR 85 Cb 0.46 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 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 2.01 0.67 3.31 3.38 0.00 -1.26 -4.67 105.19 108.64 2dmy n GLY 86 Ca -0.40 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.46 -0.62 0.06 1.61 5.36 -1.26 -4.26 117.98 116.40 2dmy s PHE 87 Ca 0.00 1.34 0.05 0.00 -0.96 0.00 0.00 56.93 57.36 2dmy s PHE 87 Cb 0.00 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.93 2dmy s PHE 87 CO 0.00 -0.34 -0.14 0.16 -1.46 0.00 0.00 175.22 173.45 2dmy s ASP 88 N 1.21 1.59 -0.69 6.13 1.47 -1.26 -5.10 116.67 120.03 2dmy s ASP 88 Ca -0.08 -0.55 0.05 0.00 1.18 0.00 0.00 52.55 53.16 2dmy s ASP 88 Cb -0.07 -0.06 0.19 0.00 -0.34 0.00 0.00 42.92 42.64 2dmy s ASP 88 CO -0.11 -0.04 0.57 0.00 0.68 0.00 0.00 175.17 176.26 2dmy n ALA 89 N 1.54 3.60 -2.51 2.11 0.00 -1.26 -4.88 120.51 119.10 2dmy n ALA 89 Ca -0.20 -4.59 -0.18 0.00 0.00 0.00 0.00 53.44 48.47 2dmy n ALA 89 Cb 0.54 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 1.64 3.36 -4.65 0.00 5.75 -1.26 -5.09 116.55 116.30 2dmy n ASP 90 Ca 0.23 -3.23 -0.45 0.00 -0.01 0.00 0.00 54.79 51.34 2dmy n ASP 90 Cb 0.37 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 2dmy n ASP 90 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2dmy n ILE 91 N -0.39 1.32 -0.84 2.12 -0.00 -1.26 -4.80 119.36 115.51 2dmy n ILE 91 Ca 0.27 -0.33 -0.13 0.00 -0.00 0.00 0.00 62.75 62.56 2dmy n ILE 91 Cb 0.77 -1.33 -0.12 0.00 -0.00 0.00 0.00 39.64 38.95 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 1.70 4.64 0.00 4.38 3.41 -1.26 -4.74 113.62 121.76 2dmy n SER 92 Ca 0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 2dmy n SER 92 Cb 0.32 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 2.76 3.41 3.66 5.00 0.00 -1.26 -5.12 105.19 113.63 2dmy n GLY 93 Ca 0.39 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 1.49 4.14 -0.14 1.61 0.04 -1.26 -4.99 135.00 135.89 2dmy s PRO 94 Ca 0.00 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 2dmy s PRO 94 Cb 0.00 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2dmy s PRO 94 CO 0.00 -0.87 0.68 0.45 0.04 0.00 0.00 177.00 177.31 2dmy s SER 95 N 3.07 6.85 0.35 6.66 0.15 -1.26 -5.03 113.70 124.48 2dmy s SER 95 Ca 0.68 1.03 -0.29 0.00 0.70 0.00 0.00 55.95 58.07 2dmy s SER 95 Cb -0.29 -2.39 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 2dmy s SER 95 CO 0.25 -0.22 1.45 -0.44 1.20 0.00 0.00 173.24 175.47 2dmy s SER 96 N 1.01 6.48 0.00 5.45 0.01 -1.26 -5.24 113.70 120.15 2dmy s SER 96 Ca 0.34 2.92 0.00 0.00 1.31 0.00 0.00 55.95 60.52 2dmy s SER 96 Cb -0.17 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2dmy s SER 96 CO 0.13 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.62