#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmy n SER 2 N 0.00 -6.30 -4.58 1.61 7.64 -1.26 -4.94 113.62 105.79 2dmy n SER 2 Ca 0.00 -0.54 -0.32 0.00 1.01 0.00 0.00 58.87 59.02 2dmy n SER 2 Cb 0.00 -5.00 0.14 0.00 -1.01 0.00 0.00 64.21 58.34 2dmy n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmy n SER 3 N -2.98 -0.43 0.00 6.43 7.64 -1.26 -4.98 113.62 118.04 2dmy n SER 3 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2dmy n SER 3 Cb 0.56 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 0.77 3.16 3.01 0.23 0.00 -1.26 -5.11 105.19 105.99 2dmy n GLY 4 Ca 0.10 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.67 -0.83 1.61 0.15 -1.26 -5.04 113.70 112.99 2dmy s SER 5 Ca 0.00 -2.43 -0.12 0.00 0.70 0.00 0.00 55.95 54.10 2dmy s SER 5 Cb 0.00 -1.65 0.22 0.00 -1.71 0.00 0.00 66.02 62.88 2dmy s SER 5 CO 0.00 -0.34 0.76 -0.55 1.20 0.00 0.00 173.24 174.31 2dmy s SER 6 N 0.58 6.62 0.00 5.45 0.15 -1.26 -5.00 113.70 120.25 2dmy s SER 6 Ca 0.13 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 53.95 2dmy s SER 6 Cb -0.21 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dmy s SER 6 CO -0.05 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2dmy n GLY 7 N 3.75 4.12 3.45 9.45 0.00 -1.26 -5.11 105.19 119.58 2dmy n GLY 7 Ca 0.14 -1.46 -0.52 0.00 0.00 0.00 0.00 46.02 44.19 2dmy n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dmy n ARG 8 N 0.00 0.09 -3.50 1.61 0.00 -1.26 -4.96 116.66 108.64 2dmy n ARG 8 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 57.78 2dmy n ARG 8 Cb 0.00 -1.24 -0.03 0.00 -0.00 0.00 0.00 32.46 31.19 2dmy n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dmy s LYS 9 N -0.62 0.89 0.21 2.89 1.02 -1.26 -5.19 119.74 117.69 2dmy s LYS 9 Ca 0.74 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.51 2dmy s LYS 9 Cb -1.04 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 2dmy s LYS 9 CO 0.56 -0.37 0.12 0.96 -0.92 0.00 0.00 175.35 175.71 2dmy s ILE 10 N -2.75 0.14 -0.25 2.17 -4.36 -1.26 -5.14 121.20 109.75 2dmy s ILE 10 Ca 0.02 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 2dmy s ILE 10 Cb -0.01 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.23 2dmy s ILE 10 CO -0.06 -0.01 -0.12 -0.22 0.24 0.00 0.00 174.94 174.77 2dmy s LEU 11 N -3.20 3.19 -0.05 0.37 2.96 -1.26 -5.09 118.68 115.61 2dmy s LEU 11 Ca 0.39 -1.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.03 2dmy s LEU 11 Cb 0.07 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.27 2dmy s LEU 11 CO 0.12 -0.16 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.37 2dmy s ASP 12 N 1.14 1.07 0.57 3.68 2.15 -1.26 -5.00 116.67 119.02 2dmy s ASP 12 Ca -0.07 -0.06 0.46 0.00 0.43 0.00 0.00 52.55 53.32 2dmy s ASP 12 Cb -0.19 -0.35 1.59 0.00 -0.30 0.00 0.00 42.92 43.68 2dmy s ASP 12 CO -0.06 -0.14 1.52 -1.54 -0.17 0.00 0.00 175.17 174.77 2dmy n SER 13 N 4.64 0.00 -4.09 -0.34 3.41 -1.26 -4.70 113.62 111.27 2dmy n SER 13 Ca -0.16 0.95 -0.31 0.00 -0.26 0.00 0.00 58.87 59.09 2dmy n SER 13 Cb 0.50 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 2dmy n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dmy n LYS 14 N -3.80 -0.87 -3.29 4.33 5.02 -1.26 -4.83 118.16 113.46 2dmy n LYS 14 Ca 0.41 0.10 -0.47 0.00 -2.02 0.00 0.00 58.31 56.33 2dmy n LYS 14 Cb 1.95 -3.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 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 -3.67 4.02 -0.43 7.82 0.00 -1.26 -5.00 121.76 123.25 2dmy s ALA 15 Ca 0.30 -3.28 -0.11 0.00 0.00 0.00 0.00 51.96 48.88 2dmy s ALA 15 Cb -0.18 -3.57 0.07 0.00 0.00 0.00 0.00 23.12 19.45 2dmy s ALA 15 CO 0.87 -2.35 0.29 0.42 0.00 0.00 0.00 175.76 175.00 2dmy s ILE 16 N 0.38 4.48 -1.52 0.00 -1.09 -1.26 -4.66 121.20 117.53 2dmy s ILE 16 Ca 0.19 -1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 2dmy s ILE 16 Cb -0.10 -3.72 0.13 0.00 -1.58 0.00 0.00 42.46 37.20 2dmy s ILE 16 CO -0.09 -0.51 0.32 -0.67 -1.23 0.00 0.00 174.94 172.75 2dmy n ASP 17 N 4.99 -0.65 0.02 3.58 2.03 -1.26 -4.69 116.55 120.57 2dmy n ASP 17 Ca -0.11 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2dmy n ASP 17 Cb 0.43 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2dmy n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmy n LEU 18 N -3.78 0.14 -0.59 -2.67 -0.00 -1.26 -4.77 117.00 104.08 2dmy n LEU 18 Ca -0.05 0.08 0.47 0.00 -0.00 0.00 0.00 56.01 56.51 2dmy n LEU 18 Cb 0.47 -0.00 0.78 0.00 -0.00 0.00 0.00 43.42 44.67 2dmy n LEU 18 CO 0.80 -0.36 1.42 0.00 -0.00 0.00 0.00 177.39 179.24 2dmy h MET 19 N 0.00 0.01 -0.89 1.47 -0.00 -1.87 0.11 114.93 113.76 2dmy h MET 19 Ca 0.00 -0.00 0.22 0.00 -0.00 0.00 0.00 59.70 59.91 2dmy h MET 19 Cb 0.42 -0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 31.85 2dmy h MET 19 CO 0.00 0.01 -0.04 -0.97 -0.00 0.00 0.00 176.91 175.91 2dmy h ASN 20 N 0.01 -0.51 -0.19 -0.10 -1.24 -1.96 -1.99 115.58 109.61 2dmy h ASN 20 Ca 0.84 0.25 0.02 0.00 0.71 0.00 0.00 56.30 58.12 2dmy h ASN 20 Cb 3.27 0.45 -0.02 0.00 0.73 0.00 0.00 38.32 42.75 2dmy h ASN 20 CO -0.08 -0.28 -0.11 0.00 -1.29 0.00 0.00 177.43 175.68 2dmy n ALA 21 N -3.15 -0.12 -0.24 1.57 0.00 0.39 -0.54 120.51 118.42 2dmy n ALA 21 Ca 0.18 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 2dmy n ALA 21 Cb 0.59 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 2dmy n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dmy n LEU 22 N -3.30 -0.61 -0.08 0.00 4.77 -0.75 -1.29 117.00 115.74 2dmy n LEU 22 Ca 0.00 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.30 2dmy n LEU 22 Cb 0.05 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 2dmy n LEU 22 CO -0.03 -1.05 0.53 0.24 -1.33 0.00 0.00 177.39 175.75 2dmy h MET 23 N 0.00 -0.43 -0.94 3.23 2.86 -1.13 -1.76 114.93 116.76 2dmy h MET 23 Ca 0.09 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.89 2dmy h MET 23 Cb 0.24 0.10 -0.14 0.00 0.06 0.00 0.00 31.60 31.86 2dmy h MET 23 CO -0.54 -0.29 -0.42 0.54 1.06 0.00 0.00 176.91 177.26 2dmy n ARG 24 N -5.41 -0.28 -0.17 1.72 5.12 0.30 0.41 116.66 118.35 2dmy n ARG 24 Ca -0.04 1.43 -0.02 0.00 -1.93 0.00 0.00 57.85 57.30 2dmy n ARG 24 Cb 0.36 -2.12 0.06 0.00 -1.16 0.00 0.00 32.46 29.59 2dmy n ARG 24 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dmy h LEU 25 N 0.00 -0.36 -0.42 0.55 5.85 -0.42 -0.93 115.31 119.57 2dmy h LEU 25 Ca 0.28 0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.15 2dmy h LEU 25 Cb 0.51 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2dmy h LEU 25 CO -0.92 -0.13 0.27 0.78 -0.34 0.00 0.00 178.44 178.11 2dmy h ASN 26 N 0.06 0.47 -0.07 1.25 2.35 0.33 0.27 115.58 120.24 2dmy h ASN 26 Ca 0.27 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.05 2dmy h ASN 26 Cb 0.41 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2dmy h ASN 26 CO -0.50 0.34 -0.32 1.56 -1.65 0.00 0.00 177.43 176.86 2dmy h GLN 27 N 0.56 -0.42 -0.40 0.81 1.08 0.43 -0.62 115.11 116.55 2dmy h GLN 27 Ca 0.16 0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2dmy h GLN 27 Cb -0.05 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2dmy h GLN 27 CO -0.04 -0.28 -0.02 -0.84 -0.95 0.00 0.00 178.83 176.70 2dmy h ILE 28 N -0.43 1.26 -3.28 2.54 3.07 -1.14 -3.38 117.51 116.16 2dmy h ILE 28 Ca 0.08 -1.05 -0.63 0.00 1.55 0.00 0.00 64.86 64.81 2dmy h ILE 28 Cb 0.55 1.15 -0.41 0.00 -0.27 0.00 0.00 36.82 37.84 2dmy h ILE 28 CO -0.31 0.35 -0.67 -0.13 -1.05 0.00 0.00 178.15 176.34 2dmy s ARG 29 N -4.96 1.70 0.44 0.16 3.00 0.94 -5.11 118.95 115.13 2dmy s ARG 29 Ca -0.13 -2.34 -0.24 0.00 0.00 0.00 0.00 55.73 53.02 2dmy s ARG 29 Cb 0.10 -2.98 -0.08 0.00 0.00 0.00 0.00 34.95 32.00 2dmy s ARG 29 CO 0.80 -1.11 1.17 -1.25 0.00 0.00 0.00 175.30 174.91 2dmy s PRO 30 N 0.04 3.83 -0.34 3.54 0.04 -0.28 -4.18 135.00 137.65 2dmy s PRO 30 Ca 0.17 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 2dmy s PRO 30 Cb -0.25 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 2dmy s PRO 30 CO -0.01 -0.50 0.32 0.41 0.04 0.00 0.00 177.00 177.26 2dmy n GLY 31 N 0.50 -0.54 3.73 0.56 0.00 -1.26 -5.06 105.19 103.11 2dmy n GLY 31 Ca 0.06 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 3.54 -0.20 0.99 1.43 -1.26 -5.11 118.68 114.96 2dmy s LEU 32 Ca 0.04 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2dmy s LEU 32 Cb -0.01 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2dmy s LEU 32 CO 0.32 0.07 0.04 0.00 0.23 0.00 0.00 176.35 177.01 2dmy s GLN 33 N -3.09 0.62 0.07 1.70 -2.07 -1.26 -5.13 119.66 110.50 2dmy s GLN 33 Ca 0.29 -0.43 -0.20 0.00 -1.82 0.00 0.00 55.36 53.20 2dmy s GLN 33 Cb -0.09 -2.08 -0.07 0.00 -1.09 0.00 0.00 33.01 29.68 2dmy s GLN 33 CO 0.21 -0.66 0.59 0.71 -1.32 0.00 0.00 175.29 174.82 2dmy s TYR 34 N 1.87 3.80 0.03 9.60 1.51 -1.26 -4.80 117.35 128.10 2dmy s TYR 34 Ca -0.00 1.29 0.05 0.00 -1.01 0.00 0.00 57.07 57.40 2dmy s TYR 34 Cb -0.17 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.12 2dmy s TYR 34 CO -0.09 0.55 -0.14 0.15 -1.11 0.00 0.00 175.55 174.90 2dmy s LYS 35 N -0.98 0.99 -0.72 -0.62 1.02 -1.10 -4.98 119.74 113.36 2dmy s LYS 35 Ca 0.30 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 2dmy s LYS 35 Cb -0.20 -0.99 0.12 0.00 -0.52 0.00 0.00 37.83 36.24 2dmy s LYS 35 CO 0.19 0.25 0.85 -1.17 -0.92 0.00 0.00 175.35 174.56 2dmy s LEU 36 N -1.01 5.36 0.17 3.17 2.96 -1.26 -1.10 118.68 126.96 2dmy s LEU 36 Ca 0.02 -1.70 -0.28 0.00 -0.22 0.00 0.00 54.13 51.96 2dmy s LEU 36 Cb -0.07 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 44.28 2dmy s LEU 36 CO 0.01 -1.07 1.55 -0.07 -1.32 0.00 0.00 176.35 175.45 2dmy h LEU 37 N 9.97 -1.80 -7.09 -0.68 3.38 -1.20 -3.45 115.31 114.45 2dmy h LEU 37 Ca -0.13 0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2dmy h LEU 37 Cb 1.06 0.80 -0.12 0.00 0.09 0.00 0.00 40.66 42.49 2dmy h LEU 37 CO 1.07 -0.31 0.31 -0.44 0.09 0.00 0.00 178.44 179.16 2dmy s SER 38 N -5.28 -0.47 -0.08 -0.43 0.01 -1.25 -5.07 113.70 101.13 2dmy s SER 38 Ca -0.13 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2dmy s SER 38 Cb 0.12 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.91 2dmy s SER 38 CO 0.64 -0.88 -0.11 -1.58 0.41 0.00 0.00 173.24 171.72 2dmy s GLN 39 N -3.54 1.67 0.09 12.44 -0.44 -1.26 -2.60 119.66 126.01 2dmy s GLN 39 Ca 0.03 -0.38 0.02 0.00 -2.50 0.00 0.00 55.36 52.53 2dmy s GLN 39 Cb -0.01 -1.46 -0.04 0.00 -1.64 0.00 0.00 33.01 29.86 2dmy s GLN 39 CO -0.10 -0.05 -0.07 0.45 0.50 0.00 0.00 175.29 176.02 2dmy s SER 40 N 0.93 1.09 0.00 6.67 0.15 -1.14 -4.94 113.70 116.46 2dmy s SER 40 Ca -0.10 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2dmy s SER 40 Cb -0.15 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2dmy s SER 40 CO 0.01 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2dmy n GLY 41 N 0.27 -1.30 3.58 9.45 0.00 -1.26 0.24 105.19 116.17 2dmy n GLY 41 Ca -0.14 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.77 -1.40 0.15 1.61 0.04 -1.25 -4.75 135.00 128.64 2dmy s PRO 42 Ca 0.00 -0.13 0.09 0.00 0.04 0.00 0.00 61.00 61.00 2dmy s PRO 42 Cb 0.00 -1.58 -0.15 0.00 0.04 0.00 0.00 34.50 32.81 2dmy s PRO 42 CO 0.00 -3.82 1.29 -0.24 0.04 0.00 0.00 177.00 174.27 2dmy h VAL 43 N -2.66 1.48 0.00 -0.36 3.04 -1.98 -1.85 116.25 113.92 2dmy h VAL 43 Ca -0.44 -3.11 -0.17 0.00 -1.01 0.00 0.00 66.70 61.98 2dmy h VAL 43 Cb 1.29 2.73 -0.03 0.00 -2.01 0.00 0.00 31.29 33.27 2dmy h VAL 43 CO 0.31 0.84 -1.39 1.12 -1.01 0.00 0.00 177.57 177.45 2dmy h HIS 44 N 0.00 0.00 -1.39 3.17 2.07 -2.00 -3.38 115.15 113.62 2dmy h HIS 44 Ca -0.02 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.99 2dmy h HIS 44 Cb 1.69 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 31.25 2dmy h HIS 44 CO 0.00 0.59 -0.91 0.00 -3.07 0.00 0.00 177.93 174.54 2dmy n ALA 45 N -2.39 4.37 -1.77 6.11 0.00 -1.24 -5.09 120.51 120.49 2dmy n ALA 45 Ca -0.09 -3.90 -0.35 0.00 0.00 0.00 0.00 53.44 49.10 2dmy n ALA 45 Cb 0.84 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -3.35 3.40 -0.39 0.00 0.04 -0.70 -3.78 135.00 130.22 2dmy s PRO 46 Ca 0.40 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 2dmy s PRO 46 Cb 0.41 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.96 2dmy s PRO 46 CO -0.10 -0.81 0.22 0.08 0.04 0.00 0.00 177.00 176.42 2dmy s VAL 47 N -1.75 4.28 -0.58 -0.36 1.01 0.14 -4.46 120.40 118.69 2dmy s VAL 47 Ca 0.72 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 2dmy s VAL 47 Cb -0.24 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2dmy s VAL 47 CO 0.28 -0.36 0.81 -0.36 0.00 0.00 0.00 175.10 175.47 2dmy s PHE 48 N 1.47 2.87 -0.53 5.22 0.08 -0.32 -2.87 117.98 123.89 2dmy s PHE 48 Ca 0.02 -0.50 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 2dmy s PHE 48 Cb -0.21 -3.97 0.05 0.00 -0.57 0.00 0.00 43.02 38.32 2dmy s PHE 48 CO 0.04 -1.33 0.80 0.99 -0.10 0.00 0.00 175.22 175.61 2dmy s THR 49 N 3.35 4.61 0.43 0.64 2.01 -1.07 -1.88 115.64 123.73 2dmy s THR 49 Ca 0.20 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2dmy s THR 49 Cb -0.18 -4.43 -0.00 0.00 0.01 0.00 0.00 72.50 67.89 2dmy s THR 49 CO 0.12 -0.98 0.64 -0.04 -0.69 0.00 0.00 174.62 173.67 2dmy s MET 50 N 3.35 3.04 -0.21 4.92 -1.94 -0.63 -0.68 119.30 127.15 2dmy s MET 50 Ca 0.23 -0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 53.45 2dmy s MET 50 Cb -0.16 -2.60 0.06 0.00 2.01 0.00 0.00 34.83 34.14 2dmy s MET 50 CO 0.16 -0.24 0.54 -1.54 -0.01 0.00 0.00 175.02 173.93 2dmy s SER 51 N -4.22 -0.63 0.02 3.03 1.04 -0.26 -2.46 113.70 110.22 2dmy s SER 51 Ca 0.48 1.13 0.01 0.00 0.48 0.00 0.00 55.95 58.05 2dmy s SER 51 Cb -0.10 1.09 -0.01 0.00 0.10 0.00 0.00 66.02 67.10 2dmy s SER 51 CO 0.37 -0.20 -0.03 0.54 0.98 0.00 0.00 173.24 174.89 2dmy s VAL 52 N 0.78 0.20 -0.48 5.02 0.11 -0.66 -2.71 120.40 122.65 2dmy s VAL 52 Ca -0.04 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 2dmy s VAL 52 Cb -0.05 -0.27 0.12 0.00 -1.53 0.00 0.00 36.38 34.65 2dmy s VAL 52 CO -0.06 -0.27 0.34 -1.81 -3.33 0.00 0.00 175.10 169.97 2dmy s ASP 53 N -0.93 5.63 0.03 3.54 1.11 -1.26 -0.54 116.67 124.26 2dmy s ASP 53 Ca -0.08 -2.02 0.07 0.00 0.18 0.00 0.00 52.55 50.70 2dmy s ASP 53 Cb -0.06 -1.98 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 2dmy s ASP 53 CO -0.00 -0.65 -0.22 -0.69 1.18 0.00 0.00 175.17 174.79 2dmy s VAL 54 N 1.20 1.76 -1.57 -1.27 1.01 -0.82 -4.75 120.40 115.95 2dmy s VAL 54 Ca 0.07 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 2dmy s VAL 54 Cb -0.25 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.71 2dmy s VAL 54 CO -0.02 0.31 0.55 -0.90 0.00 0.00 0.00 175.10 175.04 2dmy n ASP 55 N 2.03 -1.60 -2.29 3.32 5.68 -1.26 0.78 116.55 123.21 2dmy n ASP 55 Ca -0.17 -1.05 -0.17 0.00 -0.50 0.00 0.00 54.79 52.91 2dmy n ASP 55 Cb 0.53 -2.72 -0.02 0.00 -1.14 0.00 0.00 41.12 37.77 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 -1.76 -0.21 2.81 6.12 0.00 -1.26 -4.95 105.19 105.95 2dmy n GLY 56 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.77 0.70 -0.35 2.61 2.01 0.23 -5.11 115.64 112.96 2dmy s THR 57 Ca 0.00 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 2dmy s THR 57 Cb 0.00 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2dmy s THR 57 CO 0.00 0.13 1.08 -0.89 -0.69 0.00 0.00 174.62 174.25 2dmy s THR 58 N 1.82 4.46 -0.09 -0.82 2.01 -1.26 -1.95 115.64 119.81 2dmy s THR 58 Ca 0.03 1.62 -0.05 0.00 0.31 0.00 0.00 61.69 63.60 2dmy s THR 58 Cb -0.14 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2dmy s THR 58 CO -0.07 -0.58 0.10 -0.31 -0.69 0.00 0.00 174.62 173.07 2dmy s TYR 59 N 3.78 3.44 -0.09 4.92 1.51 0.30 -4.96 117.35 126.26 2dmy s TYR 59 Ca 0.45 0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 56.90 2dmy s TYR 59 Cb -0.11 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2dmy s TYR 59 CO 0.18 0.64 -0.04 -1.21 -1.11 0.00 0.00 175.55 174.01 2dmy s GLU 60 N -1.12 1.09 -0.04 -0.62 2.02 -1.26 -1.66 118.70 117.11 2dmy s GLU 60 Ca 0.16 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2dmy s GLU 60 Cb -0.12 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.85 2dmy s GLU 60 CO 0.06 -0.28 -0.02 0.00 0.02 0.00 0.00 175.26 175.04 2dmy s ALA 61 N 1.81 0.49 -0.12 5.21 0.00 -1.03 -4.94 121.76 123.18 2dmy s ALA 61 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2dmy s ALA 61 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2dmy s ALA 61 CO -0.07 -0.08 0.03 -1.54 0.00 0.00 0.00 175.76 174.10 2dmy s SER 62 N 1.06 5.41 0.36 0.00 1.04 -1.26 -1.61 113.70 118.71 2dmy s SER 62 Ca -0.09 0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.52 2dmy s SER 62 Cb -0.14 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 2dmy s SER 62 CO -0.01 0.30 0.22 -0.83 0.98 0.00 0.00 173.24 173.89 2dmy s GLY 63 N -0.39 2.46 0.36 7.32 0.00 -0.79 -4.89 107.32 111.40 2dmy s GLY 63 Ca 0.08 -1.69 0.15 0.00 0.00 0.00 0.00 44.72 43.27 2dmy s GLY 63 CO 0.02 -1.62 1.77 -0.56 0.00 0.00 0.00 173.10 172.70 2dmy h PRO 64 N 1.98 0.00 -4.71 2.90 0.13 -1.88 -0.84 132.00 129.58 2dmy h PRO 64 Ca -0.29 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.45 0.41 -0.59 0.45 -0.23 0.00 0.00 178.00 178.50 2dmy s SER 65 N -6.71 0.69 0.15 1.44 0.15 -1.26 -4.45 113.70 103.70 2dmy s SER 65 Ca -0.02 -1.49 -0.14 0.00 0.70 0.00 0.00 55.95 55.01 2dmy s SER 65 Cb 0.13 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2dmy s SER 65 CO 0.71 -0.89 1.70 0.50 1.20 0.00 0.00 173.24 176.46 2dmy h LYS 66 N 2.46 0.74 0.55 5.44 1.63 -1.90 -1.54 116.57 123.95 2dmy h LYS 66 Ca -0.33 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.30 2dmy h LYS 66 Cb 1.25 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2dmy h LYS 66 CO 0.50 0.67 -0.31 1.57 -3.45 0.00 0.00 179.45 178.42 2dmy h LYS 67 N 0.65 -0.78 -0.50 1.90 2.10 -1.98 -2.00 116.57 115.96 2dmy h LYS 67 Ca 0.16 0.05 0.08 0.00 -2.00 0.00 0.00 60.65 58.94 2dmy h LYS 67 Cb 0.21 0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 31.66 2dmy h LYS 67 CO -0.01 -0.52 0.13 1.79 -2.00 0.00 0.00 179.45 178.84 2dmy h THR 68 N -0.81 0.76 0.01 0.07 1.35 -1.96 -1.39 112.91 110.95 2dmy h THR 68 Ca -0.07 -0.10 0.03 0.00 -0.55 0.00 0.00 66.41 65.72 2dmy h THR 68 Cb 0.65 0.46 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 2dmy h THR 68 CO 0.09 0.05 -0.41 0.00 -0.25 0.00 0.00 175.52 175.00 2dmy h ALA 69 N 1.37 -0.65 -0.85 6.62 0.00 -1.11 0.28 119.26 124.91 2dmy h ALA 69 Ca 0.25 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2dmy h ALA 69 Cb 0.31 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2dmy h ALA 69 CO -0.29 -0.94 0.55 0.87 0.00 0.00 0.00 179.25 179.44 2dmy h LYS 70 N -0.57 0.75 -0.31 0.00 1.57 -0.99 -1.49 116.57 115.53 2dmy h LYS 70 Ca 0.05 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2dmy h LYS 70 Cb 0.64 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2dmy h LYS 70 CO -0.30 0.50 -0.08 1.25 -0.57 0.00 0.00 179.45 180.25 2dmy h LEU 71 N 0.77 0.60 0.80 2.94 5.85 -0.11 -3.12 115.31 123.05 2dmy h LEU 71 Ca 0.40 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2dmy h LEU 71 Cb 0.50 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2dmy h LEU 71 CO -0.17 0.83 -0.45 0.45 -0.34 0.00 0.00 178.44 178.76 2dmy h HIS 72 N 0.37 -1.19 -0.92 1.25 3.86 0.46 -2.65 115.15 116.33 2dmy h HIS 72 Ca 0.08 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.44 2dmy h HIS 72 Cb 0.57 0.42 -0.16 0.00 1.06 0.00 0.00 27.41 29.29 2dmy h HIS 72 CO 0.05 -0.69 -0.29 0.28 0.86 0.00 0.00 177.93 178.14 2dmy n VAL 73 N -5.33 -0.43 0.09 2.45 0.31 -0.69 -0.15 118.33 114.59 2dmy n VAL 73 Ca -0.14 2.13 -0.13 0.00 -0.01 0.00 0.00 64.34 66.19 2dmy n VAL 73 Cb 0.47 -2.88 -0.06 0.00 -0.91 0.00 0.00 33.84 30.46 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 1.58 -0.53 -0.97 3.52 0.00 -1.46 -1.89 119.26 119.52 2dmy h ALA 74 Ca 0.39 -0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.56 2dmy h ALA 74 Cb 0.62 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 2dmy h ALA 74 CO -0.93 -0.86 0.21 0.28 0.00 0.00 0.00 179.25 177.95 2dmy h VAL 75 N -0.52 0.08 0.23 0.00 2.07 -0.18 0.24 116.25 118.16 2dmy h VAL 75 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2dmy h VAL 75 Cb 0.58 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2dmy h VAL 75 CO -0.23 0.01 -0.11 0.11 0.02 0.00 0.00 177.57 177.37 2dmy h LYS 76 N 0.05 -0.30 -0.46 1.57 1.57 -1.00 -1.44 116.57 116.56 2dmy h LYS 76 Ca 0.66 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.54 2dmy h LYS 76 Cb 1.48 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.76 2dmy h LYS 76 CO -0.83 -0.08 -0.39 0.28 -0.57 0.00 0.00 179.45 177.86 2dmy h VAL 77 N -0.47 0.15 0.32 0.50 2.07 -0.10 0.23 116.25 118.94 2dmy h VAL 77 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2dmy h VAL 77 Cb 0.36 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2dmy h VAL 77 CO 0.05 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.33 2dmy h LEU 78 N -0.27 -0.63 -0.87 2.57 3.38 -1.32 -1.97 115.31 116.21 2dmy h LEU 78 Ca 0.17 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.37 2dmy h LEU 78 Cb 0.56 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 2dmy h LEU 78 CO -0.60 -0.37 0.41 1.56 0.09 0.00 0.00 178.44 179.53 2dmy h GLN 79 N -0.56 0.48 0.05 1.13 1.08 -0.53 0.20 115.11 116.95 2dmy h GLN 79 Ca -0.02 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2dmy h GLN 79 Cb 0.49 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2dmy h GLN 79 CO -0.01 0.32 -0.02 0.00 -0.95 0.00 0.00 178.83 178.17 2dmy h ALA 80 N 1.64 -0.06 0.00 3.87 0.00 -0.14 -2.08 119.26 122.49 2dmy h ALA 80 Ca 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2dmy h ALA 80 Cb 0.88 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dmy h ALA 80 CO -0.45 -0.53 -0.07 0.52 0.00 0.00 0.00 179.25 178.71 2dmy h MET 81 N -0.07 0.00 -0.14 0.00 2.86 -0.44 -3.46 114.93 113.68 2dmy h MET 81 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2dmy h MET 81 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2dmy h MET 81 CO 0.01 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.46 2dmy n GLY 82 N -0.35 1.19 3.73 8.32 0.00 0.56 -5.10 105.19 113.54 2dmy n GLY 82 Ca -0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.14 3.18 -0.47 1.61 2.02 -0.37 -4.99 117.35 116.19 2dmy s TYR 83 Ca 0.00 0.15 -0.28 0.00 -0.37 0.00 0.00 57.07 56.57 2dmy s TYR 83 Cb 0.00 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2dmy s TYR 83 CO 0.00 0.51 1.77 -1.25 -1.57 0.00 0.00 175.55 175.01 2dmy s PRO 84 N -1.61 3.05 -0.16 -1.71 0.04 -1.26 -4.14 135.00 129.20 2dmy s PRO 84 Ca 0.21 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2dmy s PRO 84 Cb -0.12 -4.26 -0.16 0.00 0.04 0.00 0.00 34.50 30.00 2dmy s PRO 84 CO 0.12 -2.21 0.30 1.79 0.04 0.00 0.00 177.00 177.03 2dmy h THR 85 N 6.79 0.93 -1.42 1.26 1.35 -1.94 -3.50 112.91 116.38 2dmy h THR 85 Ca -0.29 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2dmy h THR 85 Cb 1.16 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2dmy h THR 85 CO 1.12 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 177.32 2dmy n GLY 86 N 1.56 0.81 0.75 5.82 0.00 -1.26 -4.85 105.19 108.03 2dmy n GLY 86 Ca -0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.67 0.00 -3.90 1.61 7.35 -1.26 -4.77 117.46 115.81 2dmy n PHE 87 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2dmy n PHE 87 Cb 0.24 0.12 -0.04 0.00 0.35 0.00 0.00 39.48 40.14 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 -4.30 -0.17 -0.45 -2.13 1.01 -1.26 -5.04 116.67 104.34 2dmy s ASP 88 Ca 0.00 -0.74 -0.00 0.00 0.71 0.00 0.00 52.55 52.52 2dmy s ASP 88 Cb 0.00 0.61 0.39 0.00 1.01 0.00 0.00 42.92 44.93 2dmy s ASP 88 CO 0.00 -1.15 1.92 0.00 0.21 0.00 0.00 175.17 176.15 2dmy n ALA 89 N -0.38 5.45 -1.32 5.23 0.00 -1.26 -4.35 120.51 123.88 2dmy n ALA 89 Ca -0.05 -2.45 -0.09 0.00 0.00 0.00 0.00 53.44 50.85 2dmy n ALA 89 Cb 0.61 -1.50 0.21 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.43 3.13 -4.62 0.00 2.03 -1.26 -5.03 116.55 110.36 2dmy n ASP 90 Ca 0.46 -3.63 -0.60 0.00 0.52 0.00 0.00 54.79 51.54 2dmy n ASP 90 Cb 0.86 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.48 2dmy n ASP 90 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2dmy n ILE 91 N -1.01 0.05 -3.49 5.18 -5.35 -1.26 -4.93 119.36 108.55 2dmy n ILE 91 Ca 0.40 -0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.78 2dmy n ILE 91 Cb 1.23 -0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 38.64 2dmy n ILE 91 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2dmy s SER 92 N 1.50 -0.42 0.11 7.28 0.15 -1.26 -5.18 113.70 115.89 2dmy s SER 92 Ca 0.95 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2dmy s SER 92 Cb -1.25 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2dmy s SER 92 CO 0.64 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dmy n GLY 93 N -0.22 -3.49 3.64 9.45 0.00 -1.26 -4.75 105.19 108.56 2dmy n GLY 93 Ca -0.11 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.34 3.95 -0.11 1.61 0.04 -1.26 -4.85 135.00 134.04 2dmy s PRO 94 Ca 0.00 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.83 2dmy s PRO 94 Cb 0.00 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.57 2dmy s PRO 94 CO 0.00 -1.10 -0.11 -1.54 0.04 0.00 0.00 177.00 174.29 2dmy s SER 95 N 3.70 2.24 -0.29 6.66 1.04 -1.26 -5.11 113.70 120.68 2dmy s SER 95 Ca 0.70 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 2dmy s SER 95 Cb -0.26 -0.94 0.15 0.00 0.10 0.00 0.00 66.02 65.06 2dmy s SER 95 CO 0.27 -0.06 0.99 -0.94 0.98 0.00 0.00 173.24 174.48 2dmy s SER 96 N 1.36 -0.50 0.00 7.02 1.04 -1.26 -5.17 113.70 116.18 2dmy s SER 96 Ca -0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2dmy s SER 96 Cb -0.14 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.26 2dmy s SER 96 CO -0.05 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.65