#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg s SER 2 N 0.00 4.11 0.33 1.61 0.01 -1.26 -4.78 113.70 113.72 2dlg s SER 2 Ca 0.00 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.29 2dlg s SER 2 Cb 0.00 -2.55 0.96 0.00 0.21 0.00 0.00 66.02 64.64 2dlg s SER 2 CO 0.00 -3.67 1.58 -1.28 0.41 0.00 0.00 173.24 170.28 2dlg h SER 3 N 12.58 -0.16 -3.26 2.44 0.87 -2.10 -3.40 113.55 120.53 2dlg h SER 3 Ca 0.01 0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2dlg h SER 3 Cb 1.01 0.40 -0.21 0.00 -0.44 0.00 0.00 62.40 63.15 2dlg h SER 3 CO 1.04 -0.37 0.06 -0.83 -0.53 0.00 0.00 176.83 176.20 2dlg s GLY 4 N -4.36 -0.60 -0.16 5.77 0.00 -1.26 -5.15 107.32 101.55 2dlg s GLY 4 Ca -0.11 2.34 -0.01 0.00 0.00 0.00 0.00 44.72 46.93 2dlg s GLY 4 CO 0.78 2.24 -0.11 -0.56 0.00 0.00 0.00 173.10 175.44 2dlg s SER 5 N 1.30 3.98 -0.30 1.64 0.01 -1.26 -5.08 113.70 113.98 2dlg s SER 5 Ca -0.07 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 2dlg s SER 5 Cb -0.05 -1.63 0.16 0.00 0.21 0.00 0.00 66.02 64.71 2dlg s SER 5 CO -0.14 0.09 0.88 -0.55 0.41 0.00 0.00 173.24 173.93 2dlg s SER 6 N 0.81 -0.77 0.00 2.44 0.15 -1.26 -5.17 113.70 109.90 2dlg s SER 6 Ca -0.04 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2dlg s SER 6 Cb -0.15 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 2dlg s SER 6 CO 0.01 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dlg n GLY 7 N 5.16 -2.33 3.43 9.45 0.00 -1.26 -4.13 105.19 115.51 2dlg n GLY 7 Ca -0.09 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2dlg n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dlg n ARG 8 N 0.00 -1.07 -1.81 1.61 1.85 -1.26 -4.79 116.66 111.19 2dlg n ARG 8 Ca 0.00 0.09 -0.38 0.00 -1.00 0.00 0.00 57.85 56.55 2dlg n ARG 8 Cb 0.00 -3.41 0.04 0.00 -1.05 0.00 0.00 32.46 28.03 2dlg n ARG 8 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dlg s ALA 9 N -2.44 2.87 0.81 2.89 0.00 -1.26 -4.99 121.76 119.64 2dlg s ALA 9 Ca 0.51 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.69 2dlg s ALA 9 Cb -0.30 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.34 2dlg s ALA 9 CO 0.63 -1.32 1.09 -1.25 0.00 0.00 0.00 175.76 174.91 2dlg s PRO 10 N -2.85 1.94 -0.52 0.00 0.04 -1.26 -5.00 135.00 127.35 2dlg s PRO 10 Ca 0.70 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 2dlg s PRO 10 Cb -0.40 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.39 2dlg s PRO 10 CO 0.48 -1.83 0.46 -1.54 0.04 0.00 0.00 177.00 174.61 2dlg s SER 11 N -3.40 6.10 0.15 6.66 1.04 -1.26 -4.89 113.70 118.10 2dlg s SER 11 Ca 0.62 -1.74 0.16 0.00 0.48 0.00 0.00 55.95 55.47 2dlg s SER 11 Cb -0.17 -2.17 -0.06 0.00 0.10 0.00 0.00 66.02 63.71 2dlg s SER 11 CO 0.56 -0.80 1.08 -0.37 0.98 0.00 0.00 173.24 174.70 2dlg h VAL 12 N 5.91 0.68 -4.03 5.02 -1.51 -1.95 -3.46 116.25 116.90 2dlg h VAL 12 Ca -0.28 -2.12 -0.48 0.00 -1.23 0.00 0.00 66.70 62.59 2dlg h VAL 12 Cb 1.10 2.21 -0.24 0.00 -2.13 0.00 0.00 31.29 32.22 2dlg h VAL 12 CO 0.98 0.39 -0.80 0.00 -1.23 0.00 0.00 177.57 176.91 2dlg s ALA 13 N -2.94 1.36 0.13 5.19 0.00 -1.26 -5.08 121.76 119.17 2dlg s ALA 13 Ca -0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2dlg s ALA 13 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2dlg s ALA 13 CO 0.79 0.26 -0.03 0.99 0.00 0.00 0.00 175.76 177.76 2dlg s THR 14 N -0.95 3.69 0.37 0.00 2.01 -1.26 -3.29 115.64 116.21 2dlg s THR 14 Ca 0.03 -1.26 -0.25 0.00 0.31 0.00 0.00 61.69 60.51 2dlg s THR 14 Cb -0.09 -2.79 -0.09 0.00 0.01 0.00 0.00 72.50 69.54 2dlg s THR 14 CO 0.02 0.02 1.06 0.54 -0.69 0.00 0.00 174.62 175.56 2dlg s VAL 15 N -1.46 3.68 0.00 3.82 0.11 -1.24 -3.73 120.40 121.58 2dlg s VAL 15 Ca 0.25 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 2dlg s VAL 15 Cb -0.10 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2dlg s VAL 15 CO 0.17 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 2dlg n GLY 16 N 0.52 1.06 3.76 6.54 0.00 -1.24 -4.61 105.19 111.22 2dlg n GLY 16 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 17 N 0.00 6.93 0.25 1.61 0.01 -1.24 -4.85 113.70 116.40 2dlg s SER 17 Ca 0.00 2.55 -0.31 0.00 1.31 0.00 0.00 55.95 59.49 2dlg s SER 17 Cb 0.00 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 2dlg s SER 17 CO 0.00 -0.41 1.49 -0.38 0.41 0.00 0.00 173.24 174.34 2dlg n ILE 18 N 1.03 0.87 -3.59 1.44 2.08 -1.26 -4.54 119.36 115.39 2dlg n ILE 18 Ca 0.00 -0.22 -0.40 0.00 0.56 0.00 0.00 62.75 62.69 2dlg n ILE 18 Cb 0.43 -1.65 -0.09 0.00 -0.75 0.00 0.00 39.64 37.58 2dlg n ILE 18 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlg s ASP 20 N 2.35 6.85 -0.40 0.00 1.01 -1.25 -3.31 116.67 121.92 2dlg s ASP 20 Ca 0.04 1.01 -0.08 0.00 0.71 0.00 0.00 52.55 54.24 2dlg s ASP 20 Cb -0.24 -2.32 0.07 0.00 1.01 0.00 0.00 42.92 41.44 2dlg s ASP 20 CO 0.01 0.11 0.21 -0.22 0.21 0.00 0.00 175.17 175.49 2dlg s LEU 21 N -0.09 4.94 -0.49 1.23 2.96 -1.14 -4.91 118.68 121.19 2dlg s LEU 21 Ca 0.28 -1.47 -0.27 0.00 -0.22 0.00 0.00 54.13 52.45 2dlg s LEU 21 Cb -0.17 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2dlg s LEU 21 CO 0.14 -0.48 1.78 0.20 -1.32 0.00 0.00 176.35 176.67 2dlg s ASN 22 N 1.90 5.62 0.03 3.68 -0.87 -1.26 -3.58 114.94 120.46 2dlg s ASN 22 Ca 0.02 0.73 0.03 0.00 -1.57 0.00 0.00 52.86 52.08 2dlg s ASN 22 Cb -0.22 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.46 2dlg s ASN 22 CO 0.02 -2.02 -0.09 -0.76 -2.57 0.00 0.00 177.10 171.67 2dlg s LEU 23 N 7.84 2.16 -0.22 0.60 1.43 -1.10 -5.06 118.68 124.34 2dlg s LEU 23 Ca 0.71 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2dlg s LEU 23 Cb -0.16 -0.34 0.11 0.00 0.03 0.00 0.00 46.19 45.83 2dlg s LEU 23 CO 0.27 -0.05 0.40 -1.59 0.23 0.00 0.00 176.35 175.60 2dlg s LYS 24 N -1.06 0.34 -0.18 1.70 -2.85 -1.26 -0.77 119.74 115.65 2dlg s LYS 24 Ca -0.03 0.80 -0.04 0.00 -1.00 0.00 0.00 55.97 55.70 2dlg s LYS 24 Cb -0.07 -0.03 0.06 0.00 -2.06 0.00 0.00 37.83 35.72 2dlg s LYS 24 CO 0.01 -0.44 0.07 0.42 0.10 0.00 0.00 175.35 175.50 2dlg s ILE 25 N 2.59 0.18 -1.10 3.79 1.01 0.35 -4.97 121.20 123.05 2dlg s ILE 25 Ca 0.06 -0.34 0.14 0.00 0.00 0.00 0.00 60.65 60.51 2dlg s ILE 25 Cb -0.14 -0.77 0.15 0.00 0.01 0.00 0.00 42.46 41.71 2dlg s ILE 25 CO -0.14 -0.25 1.45 -0.81 0.00 0.00 0.00 174.94 175.18 2dlg n PRO 26 N 5.18 0.05 0.00 2.79 -0.04 -1.26 -1.87 135.00 139.84 2dlg n PRO 26 Ca -0.08 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2dlg n PRO 26 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2dlg n PRO 26 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dlg n GLU 27 N -1.45 1.47 -4.37 0.54 1.02 -1.26 -4.93 120.64 111.66 2dlg n GLU 27 Ca 0.04 -1.20 -0.30 0.00 -0.02 0.00 0.00 57.16 55.68 2dlg n GLU 27 Cb 0.16 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 2dlg n GLU 27 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dlg s ILE 28 N -2.36 3.16 -0.14 -3.67 -1.09 -0.78 -5.12 121.20 111.19 2dlg s ILE 28 Ca 0.21 -1.24 -0.03 0.00 -2.23 0.00 0.00 60.65 57.36 2dlg s ILE 28 Cb 0.19 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 2dlg s ILE 28 CO 0.50 0.19 -0.06 0.21 -1.23 0.00 0.00 174.94 174.56 2dlg s ASN 29 N -1.93 4.64 0.51 3.58 3.84 -1.26 -4.87 114.94 119.45 2dlg s ASN 29 Ca 0.19 -0.15 0.22 0.00 0.21 0.00 0.00 52.86 53.32 2dlg s ASN 29 Cb -0.11 -1.70 1.18 0.00 -0.55 0.00 0.00 41.25 40.08 2dlg s ASN 29 CO 0.10 0.19 1.62 0.77 -2.79 0.00 0.00 177.10 176.99 2dlg h SER 30 N 6.55 0.00 0.09 -4.21 4.64 -1.95 0.60 113.55 119.28 2dlg h SER 30 Ca -0.32 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.71 2dlg h SER 30 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2dlg h SER 30 CO 0.61 0.00 -1.52 0.28 -0.87 0.00 0.00 176.83 175.33 2dlg h SER 31 N 0.00 0.31 -0.28 4.97 0.02 -2.00 -3.34 113.55 113.24 2dlg h SER 31 Ca 0.00 -0.81 -0.11 0.00 -0.84 0.00 0.00 61.79 60.03 2dlg h SER 31 Cb 0.64 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 2dlg h SER 31 CO 0.00 1.65 0.14 0.47 -1.14 0.00 0.00 176.83 177.95 2dlg n ASP 32 N -3.92 3.01 -4.82 3.07 8.00 0.15 -4.87 116.55 117.17 2dlg n ASP 32 Ca -0.28 -2.45 -0.23 0.00 0.71 0.00 0.00 54.79 52.54 2dlg n ASP 32 Cb 0.89 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2dlg s MET 33 N -1.23 2.91 -0.29 -1.24 -1.94 -0.86 -4.47 119.30 112.19 2dlg s MET 33 Ca 0.18 -1.01 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 2dlg s MET 33 Cb 0.15 -2.58 0.15 0.00 2.01 0.00 0.00 34.83 34.56 2dlg s MET 33 CO 0.04 0.42 0.60 -1.12 -0.01 0.00 0.00 175.02 174.95 2dlg s SER 34 N -3.65 -1.12 0.16 3.03 0.01 -1.25 -5.05 113.70 105.83 2dlg s SER 34 Ca 0.32 1.19 0.11 0.00 1.31 0.00 0.00 55.95 58.88 2dlg s SER 34 Cb -0.08 2.13 -0.04 0.00 0.21 0.00 0.00 66.02 68.24 2dlg s SER 34 CO 0.24 -0.24 -0.24 0.00 0.41 0.00 0.00 173.24 173.41 2dlg s ALA 35 N 2.85 2.50 -0.05 1.44 0.00 -1.26 -3.08 121.76 124.16 2dlg s ALA 35 Ca 0.06 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 2dlg s ALA 35 Cb -0.13 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2dlg s ALA 35 CO -0.19 0.48 0.27 -1.01 0.00 0.00 0.00 175.76 175.31 2dlg s HIS 36 N -1.41 -0.20 -0.58 0.00 3.76 -0.95 -1.32 115.29 114.59 2dlg s HIS 36 Ca 0.18 0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 55.42 2dlg s HIS 36 Cb -0.09 0.07 0.15 0.00 1.11 0.00 0.00 32.58 33.82 2dlg s HIS 36 CO 0.09 -0.26 0.45 0.08 -0.85 0.00 0.00 174.74 174.25 2dlg s VAL 37 N -0.68 4.38 0.40 -0.90 1.01 -0.25 -2.43 120.40 121.93 2dlg s VAL 37 Ca -0.08 -2.21 -0.22 0.00 0.00 0.00 0.00 61.98 59.47 2dlg s VAL 37 Cb -0.04 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2dlg s VAL 37 CO 0.02 -0.85 0.96 -0.89 0.00 0.00 0.00 175.10 174.34 2dlg s THR 38 N 0.77 4.25 0.16 3.92 2.01 -1.00 -2.10 115.64 123.65 2dlg s THR 38 Ca 0.11 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.73 2dlg s THR 38 Cb -0.22 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2dlg s THR 38 CO -0.03 -0.17 -0.09 -0.94 -0.69 0.00 0.00 174.62 172.70 2dlg s SER 39 N -1.98 4.32 0.00 3.53 1.04 0.59 -2.60 113.70 118.60 2dlg s SER 39 Ca 0.59 -0.51 0.15 0.00 0.48 0.00 0.00 55.95 56.66 2dlg s SER 39 Cb -0.13 -0.77 0.83 0.00 0.10 0.00 0.00 66.02 66.05 2dlg s SER 39 CO 0.17 0.12 1.38 -0.81 0.98 0.00 0.00 173.24 175.09 2dlg n PRO 40 N 0.23 0.33 0.00 4.02 -0.04 -1.22 -1.94 135.00 136.37 2dlg n PRO 40 Ca -0.12 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2dlg n PRO 40 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 2dlg n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dlg n SER 41 N -1.17 0.51 0.00 3.54 3.41 -1.26 -4.96 113.62 113.69 2dlg n SER 41 Ca 0.09 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 2dlg n SER 41 Cb 0.09 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 2dlg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlg n GLY 42 N 1.37 1.79 3.17 5.00 0.00 -0.82 -5.12 105.19 110.58 2dlg n GLY 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2dlg n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 43 N -0.24 2.83 -0.03 1.61 3.52 -1.25 -4.93 118.95 120.47 2dlg s ARG 43 Ca 0.00 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2dlg s ARG 43 Cb 0.00 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 2dlg s ARG 43 CO 0.00 0.08 -0.10 0.54 -0.81 0.00 0.00 175.30 175.00 2dlg s VAL 44 N 0.59 0.90 0.24 7.11 0.11 -1.26 0.22 120.40 128.31 2dlg s VAL 44 Ca -0.13 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2dlg s VAL 44 Cb -0.17 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2dlg s VAL 44 CO 0.04 0.28 0.02 1.07 -3.33 0.00 0.00 175.10 173.17 2dlg n THR 45 N 3.29 0.00 -3.94 5.04 5.66 -0.89 -4.91 114.28 118.52 2dlg n THR 45 Ca -0.18 -1.17 -0.35 0.00 -3.05 0.00 0.00 64.05 59.29 2dlg n THR 45 Cb 0.54 0.27 -0.11 0.00 -1.55 0.00 0.00 70.33 69.48 2dlg n THR 45 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2dlg s GLU 46 N -2.87 3.85 0.33 1.09 2.12 -1.26 -1.09 118.70 120.86 2dlg s GLU 46 Ca 0.02 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 54.79 2dlg s GLU 46 Cb 0.00 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 2dlg s GLU 46 CO 0.02 0.10 0.76 0.00 -0.54 0.00 0.00 175.26 175.59 2dlg s ALA 47 N 0.84 3.30 0.21 6.30 0.00 -0.44 -4.84 121.76 127.13 2dlg s ALA 47 Ca 0.04 0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 2dlg s ALA 47 Cb -0.14 -2.81 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 2dlg s ALA 47 CO 0.02 0.31 0.69 -2.00 0.00 0.00 0.00 175.76 174.78 2dlg s GLU 48 N -2.93 4.19 -0.41 0.00 2.56 -1.25 -4.55 118.70 116.31 2dlg s GLU 48 Ca 0.54 0.79 0.01 0.00 0.00 0.00 0.00 54.97 56.31 2dlg s GLU 48 Cb -0.11 -2.88 0.11 0.00 2.00 0.00 0.00 34.13 33.25 2dlg s GLU 48 CO 0.17 0.41 0.16 0.42 -0.56 0.00 0.00 175.26 175.86 2dlg s ILE 49 N -1.52 2.77 -0.10 -3.70 1.01 -1.26 -3.12 121.20 115.29 2dlg s ILE 49 Ca 0.42 -2.43 -0.21 0.00 0.00 0.00 0.00 60.65 58.43 2dlg s ILE 49 Cb -0.16 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2dlg s ILE 49 CO 0.21 -0.68 0.61 -0.69 0.00 0.00 0.00 174.94 174.39 2dlg s VAL 50 N 0.75 5.10 -0.65 2.92 1.01 -0.97 -4.87 120.40 123.69 2dlg s VAL 50 Ca 0.11 1.25 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 2dlg s VAL 50 Cb -0.21 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2dlg s VAL 50 CO -0.05 0.27 1.87 -2.16 0.00 0.00 0.00 175.10 175.03 2dlg s PRO 51 N 0.83 2.61 0.38 2.72 0.04 -1.26 -2.55 135.00 137.78 2dlg s PRO 51 Ca 0.33 0.50 0.22 0.00 0.04 0.00 0.00 61.00 62.09 2dlg s PRO 51 Cb -0.17 -4.47 0.25 0.00 0.04 0.00 0.00 34.50 30.16 2dlg s PRO 51 CO 0.15 -2.81 1.48 0.52 0.04 0.00 0.00 177.00 176.37 2dlg h MET 52 N 14.54 0.00 0.00 4.56 2.86 -1.91 -3.49 114.93 131.49 2dlg h MET 52 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2dlg h MET 52 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2dlg h MET 52 CO 1.22 0.03 0.00 0.41 1.06 0.00 0.00 176.91 179.62 2dlg n GLY 53 N 1.13 1.98 0.05 8.32 0.00 -1.25 -4.96 105.19 110.45 2dlg n GLY 53 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2dlg n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dlg h LYS 54 N 0.00 0.00 -0.11 1.61 1.79 -2.02 -3.40 116.57 114.44 2dlg h LYS 54 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2dlg h LYS 54 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2dlg h LYS 54 CO 0.00 0.00 -0.23 0.09 -1.08 0.00 0.00 179.45 178.23 2dlg n ASN 55 N -4.43 2.25 -4.72 0.86 4.13 -1.26 -4.91 115.26 107.18 2dlg n ASN 55 Ca -0.02 -3.61 -0.35 0.00 1.68 0.00 0.00 54.58 52.28 2dlg n ASN 55 Cb 0.06 -0.54 -0.09 0.00 -1.54 0.00 0.00 39.78 37.68 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2dlg s SER 56 N -2.86 5.56 -0.01 6.41 0.01 -1.26 -0.49 113.70 121.05 2dlg s SER 56 Ca 0.39 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.89 2dlg s SER 56 Cb 0.36 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 2dlg s SER 56 CO -0.02 0.35 -0.11 -1.00 0.41 0.00 0.00 173.24 172.87 2dlg s HIS 57 N -0.69 1.06 -0.18 2.43 3.76 0.05 -3.15 115.29 118.57 2dlg s HIS 57 Ca 0.11 -0.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2dlg s HIS 57 Cb -0.12 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 32.89 2dlg s HIS 57 CO 0.02 -0.04 -0.20 0.00 -0.85 0.00 0.00 174.74 173.67 2dlg s VAL 59 N 1.29 4.76 -0.23 0.00 1.01 -1.24 -2.30 120.40 123.69 2dlg s VAL 59 Ca 0.05 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2dlg s VAL 59 Cb -0.13 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2dlg s VAL 59 CO -0.13 -1.15 0.41 -0.60 0.00 0.00 0.00 175.10 173.64 2dlg s ARG 60 N 2.86 4.11 0.19 2.72 3.52 -1.18 -2.90 118.95 128.27 2dlg s ARG 60 Ca 0.13 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.75 2dlg s ARG 60 Cb -0.23 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2dlg s ARG 60 CO 0.07 -0.16 0.50 -0.59 -0.81 0.00 0.00 175.30 174.31 2dlg s PHE 61 N 1.71 -0.06 -0.35 5.12 -0.12 -1.21 -3.82 117.98 119.25 2dlg s PHE 61 Ca 0.18 -0.29 -0.03 0.00 -0.05 0.00 0.00 56.93 56.74 2dlg s PHE 61 Cb -0.15 0.35 0.07 0.00 -0.63 0.00 0.00 43.02 42.65 2dlg s PHE 61 CO 0.09 -0.90 0.09 0.08 -0.05 0.00 0.00 175.22 174.53 2dlg s VAL 62 N -3.88 3.29 0.95 -2.49 1.01 -1.26 -1.07 120.40 116.93 2dlg s VAL 62 Ca 0.10 -1.54 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 2dlg s VAL 62 Cb -0.01 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.53 2dlg s VAL 62 CO -0.02 -0.32 1.09 -2.16 0.00 0.00 0.00 175.10 173.69 2dlg s PRO 63 N 1.25 0.83 0.50 2.72 0.04 -1.26 -4.93 135.00 134.16 2dlg s PRO 63 Ca 0.00 0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.78 2dlg s PRO 63 Cb -0.21 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2dlg s PRO 63 CO -0.01 -2.49 0.69 -0.65 0.04 0.00 0.00 177.00 174.58 2dlg s GLN 64 N -4.95 2.56 -0.03 4.56 -1.52 -1.26 -3.62 119.66 115.40 2dlg s GLN 64 Ca 0.64 -1.28 -0.28 0.00 -1.95 0.00 0.00 55.36 52.49 2dlg s GLN 64 Cb -0.18 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 2dlg s GLN 64 CO 0.57 -0.58 0.91 -1.83 -0.25 0.00 0.00 175.29 174.11 2dlg s GLU 65 N -4.55 4.51 -1.49 2.91 1.03 -1.26 -3.88 118.70 115.97 2dlg s GLU 65 Ca 0.58 1.28 -0.05 0.00 0.03 0.00 0.00 54.97 56.82 2dlg s GLU 65 Cb -0.09 -3.47 0.04 0.00 -0.80 0.00 0.00 34.13 29.82 2dlg s GLU 65 CO 0.36 -0.05 0.46 -1.33 -1.33 0.00 0.00 175.26 173.37 2dlg n MET 66 N 3.99 -3.02 -4.17 -4.83 2.81 -1.23 -4.95 117.12 105.72 2dlg n MET 66 Ca 0.04 0.36 -0.18 0.00 -1.81 0.00 0.00 57.70 56.12 2dlg n MET 66 Cb 0.51 -4.57 -0.15 0.00 -0.71 0.00 0.00 33.22 28.30 2dlg n MET 66 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dlg s GLY 67 N -4.11 0.36 -0.31 3.03 0.00 -1.25 -4.99 107.32 100.04 2dlg s GLY 67 Ca 0.18 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 2dlg s GLY 67 CO 0.91 0.16 0.47 0.14 0.00 0.00 0.00 173.10 174.78 2dlg s VAL 68 N 0.45 5.07 0.36 1.40 1.01 -1.26 -3.12 120.40 124.31 2dlg s VAL 68 Ca -0.05 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.48 2dlg s VAL 68 Cb -0.09 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2dlg s VAL 68 CO -0.00 -0.07 0.30 -1.00 0.00 0.00 0.00 175.10 174.33 2dlg s HIS 69 N 2.28 2.82 -0.08 5.22 3.76 -1.02 -3.43 115.29 124.84 2dlg s HIS 69 Ca 0.18 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2dlg s HIS 69 Cb -0.16 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.67 2dlg s HIS 69 CO 0.12 0.11 -0.04 0.99 -0.85 0.00 0.00 174.74 175.07 2dlg s THR 70 N -2.37 0.68 -0.47 1.30 2.01 -1.07 -2.46 115.64 113.25 2dlg s THR 70 Ca 0.43 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 2dlg s THR 70 Cb -0.04 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.74 2dlg s THR 70 CO 0.26 0.30 0.81 -0.69 -0.69 0.00 0.00 174.62 174.61 2dlg s VAL 71 N 1.66 4.61 -0.29 3.82 1.01 0.21 -2.36 120.40 129.06 2dlg s VAL 71 Ca 0.02 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2dlg s VAL 71 Cb -0.13 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2dlg s VAL 71 CO -0.05 -0.78 0.25 -0.44 0.00 0.00 0.00 175.10 174.08 2dlg s SER 72 N 2.26 6.09 -0.33 3.32 0.01 -1.02 -0.63 113.70 123.41 2dlg s SER 72 Ca 0.30 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dlg s SER 72 Cb -0.12 -2.15 0.10 0.00 0.21 0.00 0.00 66.02 64.06 2dlg s SER 72 CO 0.22 -0.12 0.10 -0.69 0.41 0.00 0.00 173.24 173.16 2dlg s VAL 73 N 1.85 1.23 0.28 3.43 1.01 -1.26 -2.24 120.40 124.70 2dlg s VAL 73 Ca 0.09 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.45 2dlg s VAL 73 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2dlg s VAL 73 CO 0.11 -0.67 0.25 -0.54 0.00 0.00 0.00 175.10 174.25 2dlg s LYS 74 N 1.37 2.91 -0.21 2.72 1.02 -1.18 -3.03 119.74 123.34 2dlg s LYS 74 Ca 0.11 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.96 2dlg s LYS 74 Cb -0.18 -2.57 0.07 0.00 -0.52 0.00 0.00 37.83 34.62 2dlg s LYS 74 CO -0.20 0.29 0.06 -0.47 -0.92 0.00 0.00 175.35 174.11 2dlg s TYR 75 N -2.18 0.91 -1.73 3.18 6.14 0.70 -3.80 117.35 120.57 2dlg s TYR 75 Ca 0.36 -0.87 0.00 0.00 0.64 0.00 0.00 57.07 57.20 2dlg s TYR 75 Cb -0.07 -1.04 0.00 0.00 0.42 0.00 0.00 41.96 41.27 2dlg s TYR 75 CO 0.26 -0.64 0.00 0.54 0.64 0.00 0.00 175.55 176.35 2dlg n ARG 76 N 5.08 -1.67 -0.87 4.97 1.74 -1.26 -1.57 116.66 123.07 2dlg n ARG 76 Ca -0.08 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2dlg n ARG 76 Cb 0.46 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.40 2dlg n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dlg n GLY 77 N -0.72 1.28 2.80 -0.13 0.00 -1.26 -5.08 105.19 102.08 2dlg n GLY 77 Ca -0.21 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 2dlg n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlg s GLN 78 N -2.28 0.04 0.00 1.61 -0.21 -0.61 -5.12 119.66 113.09 2dlg s GLN 78 Ca 0.00 0.48 -0.30 0.00 0.02 0.00 0.00 55.36 55.56 2dlg s GLN 78 Cb 0.00 -0.47 -0.06 0.00 1.00 0.00 0.00 33.01 33.48 2dlg s GLN 78 CO 0.00 -0.36 1.59 -1.01 -2.12 0.00 0.00 175.29 173.39 2dlg s HIS 79 N 2.28 2.35 0.85 0.91 3.76 -1.26 -0.21 115.29 123.96 2dlg s HIS 79 Ca 0.04 0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.23 2dlg s HIS 79 Cb -0.13 -3.87 0.10 0.00 1.11 0.00 0.00 32.58 29.80 2dlg s HIS 79 CO -0.06 -3.51 1.10 0.14 -0.85 0.00 0.00 174.74 171.55 2dlg s VAL 80 N 3.15 2.88 0.13 -0.90 -7.23 -1.17 -4.93 120.40 112.34 2dlg s VAL 80 Ca 0.71 0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 60.86 2dlg s VAL 80 Cb -0.35 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 33.80 2dlg s VAL 80 CO 0.30 -0.38 1.75 -0.89 -0.31 0.00 0.00 175.10 175.57 2dlg s THR 81 N -2.86 2.56 0.00 5.32 2.01 -1.26 -2.13 115.64 119.27 2dlg s THR 81 Ca 0.63 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2dlg s THR 81 Cb -0.18 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2dlg s THR 81 CO 0.57 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2dlg n GLY 82 N 4.10 2.87 3.88 4.40 0.00 -1.26 -5.05 105.19 114.12 2dlg n GLY 82 Ca 0.17 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2dlg n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 83 N 0.33 6.55 0.52 1.61 0.15 -0.91 -3.99 113.70 117.96 2dlg s SER 83 Ca 0.00 1.08 -0.21 0.00 0.70 0.00 0.00 55.95 57.52 2dlg s SER 83 Cb 0.00 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 61.95 2dlg s SER 83 CO 0.00 -0.32 1.14 -2.16 1.20 0.00 0.00 173.24 173.10 2dlg s PRO 84 N -3.62 3.49 -0.40 5.44 0.04 -1.26 -4.66 135.00 134.03 2dlg s PRO 84 Ca 0.50 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2dlg s PRO 84 Cb -0.10 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2dlg s PRO 84 CO 0.28 -0.75 0.31 -0.06 0.04 0.00 0.00 177.00 176.83 2dlg s PHE 85 N -1.70 3.23 0.01 0.56 0.08 0.20 -4.90 117.98 115.46 2dlg s PHE 85 Ca 0.70 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 57.06 2dlg s PHE 85 Cb -0.25 -2.61 -0.06 0.00 -0.57 0.00 0.00 43.02 39.53 2dlg s PHE 85 CO 0.29 -0.58 0.45 -1.14 -0.10 0.00 0.00 175.22 174.15 2dlg s GLN 86 N 1.74 4.02 0.01 0.44 0.74 -1.26 -0.62 119.66 124.73 2dlg s GLN 86 Ca 0.06 0.49 -0.14 0.00 0.05 0.00 0.00 55.36 55.82 2dlg s GLN 86 Cb -0.19 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.70 2dlg s GLN 86 CO 0.10 0.63 0.29 -0.59 -0.55 0.00 0.00 175.29 175.17 2dlg s PHE 87 N -0.92 -0.13 -0.01 1.67 -0.12 -1.03 -5.01 117.98 112.44 2dlg s PHE 87 Ca 0.25 0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.28 2dlg s PHE 87 Cb -0.17 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2dlg s PHE 87 CO 0.14 -0.41 -0.07 0.99 -0.05 0.00 0.00 175.22 175.82 2dlg s THR 88 N -1.72 3.66 -0.12 -4.49 2.01 -1.26 -2.45 115.64 111.27 2dlg s THR 88 Ca -0.11 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 2dlg s THR 88 Cb -0.04 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2dlg s THR 88 CO 0.02 0.42 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 2dlg s VAL 89 N -0.97 4.11 0.00 3.82 1.01 -1.18 -4.00 120.40 123.18 2dlg s VAL 89 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2dlg s VAL 89 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2dlg s VAL 89 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2dlg n GLY 90 N 2.82 4.24 3.77 4.51 0.00 -1.21 -3.56 105.19 115.76 2dlg n GLY 90 Ca -0.18 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 2dlg n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 91 N 2.38 4.43 0.19 1.61 0.04 -1.26 -3.71 135.00 138.68 2dlg s PRO 91 Ca 0.00 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 2dlg s PRO 91 Cb 0.00 -3.08 0.17 0.00 0.04 0.00 0.00 34.50 31.62 2dlg s PRO 91 CO 0.00 -0.06 1.66 1.25 0.04 0.00 0.00 177.00 179.89 2dlg h LEU 92 N 3.48 -0.40 0.00 -3.56 6.46 -1.96 -3.42 115.31 115.92 2dlg h LEU 92 Ca -0.48 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2dlg h LEU 92 Cb 1.22 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2dlg h LEU 92 CO 0.66 -0.14 0.00 0.61 -0.62 0.00 0.00 178.44 178.94 2dlg n GLY 93 N -1.35 2.95 3.28 3.75 0.00 -1.26 -4.81 105.19 107.75 2dlg n GLY 93 Ca 0.05 -1.00 -0.56 0.00 0.00 0.00 0.00 46.02 44.50 2dlg n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dlg n GLU 94 N -1.09 0.00 -0.15 1.61 1.02 -1.26 -4.89 120.64 115.88 2dlg n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2dlg n GLU 94 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2dlg n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dlg n GLY 95 N 7.27 2.61 0.00 0.62 0.00 -1.26 -5.14 105.19 109.28 2dlg n GLY 95 Ca 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2dlg n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dlg n GLY 96 N 5.00 3.80 1.65 -0.02 0.00 -1.26 -4.98 105.19 109.38 2dlg n GLY 96 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2dlg n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dlg n SER 97 N 0.00 4.50 -2.28 1.61 7.64 -1.26 -4.90 113.62 118.94 2dlg n SER 97 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 2dlg n SER 97 Cb 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2dlg n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlg n GLY 98 N 0.07 -0.19 3.61 0.23 0.00 -1.26 -4.96 105.19 102.67 2dlg n GLY 98 Ca 0.26 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 2dlg n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 99 N 0.17 3.48 -0.16 1.61 0.04 -1.26 -4.99 135.00 133.90 2dlg s PRO 99 Ca 0.00 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2dlg s PRO 99 Cb 0.00 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2dlg s PRO 99 CO 0.00 -1.67 0.47 0.45 0.04 0.00 0.00 177.00 176.28 2dlg s SER 100 N 5.24 6.60 -0.02 6.66 0.15 -1.26 -5.07 113.70 126.00 2dlg s SER 100 Ca 0.74 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 2dlg s SER 100 Cb -0.21 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2dlg s SER 100 CO 0.33 -0.06 0.04 -0.44 1.20 0.00 0.00 173.24 174.31 2dlg s SER 101 N 0.83 -0.02 0.00 5.45 0.01 -1.26 -5.29 113.70 113.42 2dlg s SER 101 Ca 0.24 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dlg s SER 101 Cb -0.15 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dlg s SER 101 CO 0.09 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.30