#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee9 s SER 2 N 0.00 0.04 0.60 1.61 0.01 -1.26 -5.15 113.70 109.56 2ee9 s SER 2 Ca 0.00 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.11 2ee9 s SER 2 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 2ee9 s SER 2 CO 0.00 -0.07 1.12 -0.94 0.41 0.00 0.00 173.24 173.76 2ee9 s SER 3 N 0.61 5.41 1.00 2.44 1.04 -1.26 -4.97 113.70 117.97 2ee9 s SER 3 Ca -0.05 2.09 -0.19 0.00 0.48 0.00 0.00 55.95 58.28 2ee9 s SER 3 Cb -0.07 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.37 2ee9 s SER 3 CO -0.02 -1.43 -0.70 0.61 0.98 0.00 0.00 173.24 172.68 2ee9 n GLY 4 N -0.19 -3.74 3.64 7.32 0.00 -1.26 -4.85 105.19 106.11 2ee9 n GLY 4 Ca 0.11 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2ee9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee9 s SER 5 N -1.23 6.87 -0.45 1.61 0.01 -1.26 -5.02 113.70 114.23 2ee9 s SER 5 Ca 0.43 1.07 -0.16 0.00 1.31 0.00 0.00 55.95 58.60 2ee9 s SER 5 Cb -0.12 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.71 2ee9 s SER 5 CO 0.76 -0.55 0.38 -0.44 0.41 0.00 0.00 173.24 173.79 2ee9 s SER 6 N 1.34 6.14 0.00 2.44 0.01 -1.26 -4.92 113.70 117.45 2ee9 s SER 6 Ca 0.36 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2ee9 s SER 6 Cb -0.15 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2ee9 s SER 6 CO 0.08 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2ee9 n GLY 7 N 5.18 -0.45 3.66 3.44 0.00 -1.26 -5.10 105.19 110.67 2ee9 n GLY 7 Ca -0.11 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2ee9 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ee9 s VAL 8 N -3.87 4.35 -0.94 1.61 1.01 -1.26 -4.87 120.40 116.43 2ee9 s VAL 8 Ca 0.00 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.43 2ee9 s VAL 8 Cb 0.00 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 32.04 2ee9 s VAL 8 CO 0.00 -0.17 2.32 -0.24 0.00 0.00 0.00 175.10 177.01 2ee9 n SER 9 N 6.63 -0.36 -4.71 3.32 2.88 -1.26 -4.85 113.62 115.27 2ee9 n SER 9 Ca 0.14 -0.57 -0.31 0.00 -1.33 0.00 0.00 58.87 56.80 2ee9 n SER 9 Cb 0.45 -0.86 0.13 0.00 -0.75 0.00 0.00 64.21 63.19 2ee9 n SER 9 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ee9 s ASP 10 N 4.33 3.58 1.01 -3.46 2.15 -1.26 -4.97 116.67 118.04 2ee9 s ASP 10 Ca 1.24 1.86 -0.14 0.00 0.43 0.00 0.00 52.55 55.94 2ee9 s ASP 10 Cb -0.77 -2.46 0.09 0.00 -0.30 0.00 0.00 42.92 39.48 2ee9 s ASP 10 CO 0.45 -2.63 0.44 1.15 -0.17 0.00 0.00 175.17 174.42 2ee9 n MET 11 N -3.91 -0.80 -0.04 4.34 0.00 -1.26 -4.95 117.12 110.51 2ee9 n MET 11 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 57.70 57.52 2ee9 n MET 11 Cb 0.53 -1.90 -0.14 0.00 0.00 0.00 0.00 33.22 31.71 2ee9 n MET 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2ee9 n ASN 12 N -2.04 0.57 0.00 3.17 0.23 -1.26 -5.04 115.26 110.90 2ee9 n ASN 12 Ca 0.06 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 2ee9 n ASN 12 Cb 0.56 0.34 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 2ee9 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ee9 n GLY 13 N 1.59 1.93 2.87 4.83 0.00 -1.26 -4.89 105.19 110.25 2ee9 n GLY 13 Ca -0.21 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 2ee9 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee9 s LEU 14 N 0.00 1.21 0.00 0.99 2.96 -1.26 -5.08 118.68 117.50 2ee9 s LEU 14 Ca 0.00 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 2ee9 s LEU 14 Cb 0.00 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.91 2ee9 s LEU 14 CO 0.00 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 2ee9 n GLY 15 N 4.96 4.14 3.56 7.98 0.00 -1.26 -5.15 105.19 119.42 2ee9 n GLY 15 Ca -0.11 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2ee9 n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee9 s PHE 16 N 2.96 2.94 0.23 1.61 0.40 -1.26 -4.62 117.98 120.24 2ee9 s PHE 16 Ca 0.00 -0.04 -0.31 0.00 -0.60 0.00 0.00 56.93 55.98 2ee9 s PHE 16 Cb 0.00 -1.74 -0.14 0.00 0.51 0.00 0.00 43.02 41.65 2ee9 s PHE 16 CO 0.00 0.27 1.30 1.17 0.70 0.00 0.00 175.22 178.66 2ee9 n LYS 17 N 2.41 1.73 -1.25 0.44 0.00 -1.26 -4.66 118.16 115.57 2ee9 n LYS 17 Ca -0.18 0.61 -0.31 0.00 0.00 0.00 0.00 58.31 58.44 2ee9 n LYS 17 Cb 0.53 -2.20 0.10 0.00 0.00 0.00 0.00 35.03 33.46 2ee9 n LYS 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2ee9 s PRO 18 N -0.55 2.07 -0.23 1.64 0.04 -1.26 -4.48 135.00 132.22 2ee9 s PRO 18 Ca 0.68 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 2ee9 s PRO 18 Cb -0.71 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.01 2ee9 s PRO 18 CO 0.52 -1.76 -0.01 0.12 0.04 0.00 0.00 177.00 175.91 2ee9 s PHE 19 N -2.91 1.92 -0.23 0.56 5.36 -1.18 -5.01 117.98 116.49 2ee9 s PHE 19 Ca 0.62 -1.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.07 2ee9 s PHE 19 Cb -0.17 -1.43 -0.00 0.00 -0.34 0.00 0.00 43.02 41.08 2ee9 s PHE 19 CO 0.56 -0.73 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.04 2ee9 s ASP 20 N 1.56 4.30 0.13 6.13 1.11 -1.26 -0.87 116.67 127.77 2ee9 s ASP 20 Ca -0.03 -0.49 0.10 0.00 0.18 0.00 0.00 52.55 52.31 2ee9 s ASP 20 Cb -0.18 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.04 2ee9 s ASP 20 CO -0.08 -0.05 -0.20 -0.22 1.18 0.00 0.00 175.17 175.80 2ee9 s LEU 21 N 1.45 2.59 -0.13 1.23 0.20 0.95 -4.95 118.68 120.02 2ee9 s LEU 21 Ca 0.05 -0.63 -0.00 0.00 0.69 0.00 0.00 54.13 54.23 2ee9 s LEU 21 Cb -0.15 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.16 2ee9 s LEU 21 CO -0.04 0.17 -0.13 0.54 -0.29 0.00 0.00 176.35 176.61 2ee9 s VAL 22 N -1.19 3.05 0.20 1.68 0.11 -1.26 0.21 120.40 123.21 2ee9 s VAL 22 Ca 0.17 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 2ee9 s VAL 22 Cb -0.10 -2.28 -0.08 0.00 -1.53 0.00 0.00 36.38 32.39 2ee9 s VAL 22 CO 0.09 0.52 0.93 -0.63 -3.33 0.00 0.00 175.10 172.69 2ee9 s ILE 23 N 0.35 4.20 -0.01 7.04 1.01 -0.79 -4.95 121.20 128.05 2ee9 s ILE 23 Ca -0.11 2.05 -0.25 0.00 0.00 0.00 0.00 60.65 62.34 2ee9 s ILE 23 Cb -0.16 -4.31 -0.19 0.00 0.01 0.00 0.00 42.46 37.81 2ee9 s ILE 23 CO 0.06 0.46 1.28 1.55 0.00 0.00 0.00 174.94 178.29 2ee9 h PRO 24 N 4.51 0.06 -7.19 2.79 0.13 -1.99 -3.42 132.00 126.89 2ee9 h PRO 24 Ca -0.45 -0.03 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 2ee9 h PRO 24 Cb 1.20 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.38 2ee9 h PRO 24 CO 0.69 0.53 0.38 -0.59 -0.23 0.00 0.00 178.00 178.77 2ee9 s PHE 25 N -4.28 3.15 0.15 1.56 -0.71 -1.26 -5.06 117.98 111.54 2ee9 s PHE 25 Ca -0.16 1.50 -0.03 0.00 -1.04 0.00 0.00 56.93 57.20 2ee9 s PHE 25 Cb 0.02 -2.94 -0.05 0.00 -1.21 0.00 0.00 43.02 38.84 2ee9 s PHE 25 CO 0.69 -0.84 0.37 0.00 -1.34 0.00 0.00 175.22 174.10 2ee9 s ALA 26 N -2.47 3.82 0.12 1.99 0.00 -1.26 -4.72 121.76 119.24 2ee9 s ALA 26 Ca 0.62 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 2ee9 s ALA 26 Cb -0.14 -2.07 0.08 0.00 0.00 0.00 0.00 23.12 20.98 2ee9 s ALA 26 CO 0.34 0.62 0.69 0.54 0.00 0.00 0.00 175.76 177.95 2ee9 s VAL 27 N -1.71 0.00 -0.63 0.00 0.11 -1.26 -5.08 120.40 111.83 2ee9 s VAL 27 Ca 0.40 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 2ee9 s VAL 27 Cb -0.12 -1.08 0.33 0.00 -1.53 0.00 0.00 36.38 33.98 2ee9 s VAL 27 CO 0.26 0.00 1.02 0.54 -3.33 0.00 0.00 175.10 173.59 2ee9 n ARG 28 N -0.35 3.42 -3.30 1.54 1.74 -1.26 -4.84 116.66 113.61 2ee9 n ARG 28 Ca -0.14 -4.83 -0.24 0.00 -0.77 0.00 0.00 57.85 51.87 2ee9 n ARG 28 Cb 0.64 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 2ee9 n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ee9 n LYS 29 N -0.13 -1.15 0.00 5.56 5.02 -1.26 -4.84 118.16 121.35 2ee9 n LYS 29 Ca 0.32 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2ee9 n LYS 29 Cb 0.38 -3.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.04 2ee9 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ee9 n GLY 30 N -0.78 0.40 1.46 0.72 0.00 -1.26 -4.64 105.19 101.08 2ee9 n GLY 30 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2ee9 n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ee9 n GLU 31 N 0.00 1.28 -3.89 1.61 -0.58 -1.26 -4.88 120.64 112.92 2ee9 n GLU 31 Ca 0.00 -0.60 -0.31 0.00 -0.42 0.00 0.00 57.16 55.83 2ee9 n GLU 31 Cb 0.00 -1.24 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 2ee9 n GLU 31 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2ee9 s ILE 32 N -0.79 5.37 0.14 -3.67 2.07 -1.26 -0.67 121.20 122.39 2ee9 s ILE 32 Ca 0.12 -0.34 -0.15 0.00 -1.41 0.00 0.00 60.65 58.87 2ee9 s ILE 32 Cb 0.09 -3.63 0.02 0.00 0.13 0.00 0.00 42.46 39.08 2ee9 s ILE 32 CO 0.01 0.13 0.39 0.42 -1.91 0.00 0.00 174.94 173.98 2ee9 s THR 33 N -1.53 0.07 -0.01 4.00 -4.23 -0.69 -4.97 115.64 108.29 2ee9 s THR 33 Ca 0.36 -0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 2ee9 s THR 33 Cb -0.13 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.36 2ee9 s THR 33 CO 0.28 -0.31 0.24 -0.83 -0.54 0.00 0.00 174.62 173.46 2ee9 s GLY 34 N -2.85 -0.07 0.03 3.99 0.00 -1.26 -1.91 107.32 105.25 2ee9 s GLY 34 Ca 0.06 0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.84 2ee9 s GLY 34 CO -0.08 -0.04 0.17 1.85 0.00 0.00 0.00 173.10 174.99 2ee9 s GLU 35 N -1.38 0.63 -0.05 2.90 2.12 0.21 -4.31 118.70 118.82 2ee9 s GLU 35 Ca -0.14 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.62 2ee9 s GLU 35 Cb -0.06 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.59 2ee9 s GLU 35 CO 0.03 -0.17 -0.15 0.08 -0.54 0.00 0.00 175.26 174.51 2ee9 s VAL 36 N -2.34 1.32 -0.48 3.70 1.01 0.30 -0.24 120.40 123.66 2ee9 s VAL 36 Ca -0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2ee9 s VAL 36 Cb -0.02 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.32 2ee9 s VAL 36 CO -0.03 0.39 0.34 -1.00 0.00 0.00 0.00 175.10 174.80 2ee9 s HIS 37 N 0.29 3.46 0.56 5.22 3.76 0.37 -1.67 115.29 127.28 2ee9 s HIS 37 Ca -0.09 -2.02 -0.20 0.00 -0.15 0.00 0.00 55.06 52.60 2ee9 s HIS 37 Cb -0.13 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 2ee9 s HIS 37 CO 0.03 -0.98 1.25 -1.64 -0.85 0.00 0.00 174.74 172.55 2ee9 s MET 38 N 1.20 3.11 0.45 1.40 -1.94 -0.79 -2.43 119.30 120.30 2ee9 s MET 38 Ca 0.07 1.95 0.24 0.00 -1.71 0.00 0.00 55.69 56.24 2ee9 s MET 38 Cb -0.25 -2.09 1.02 0.00 2.01 0.00 0.00 34.83 35.52 2ee9 s MET 38 CO -0.02 -1.13 1.88 -1.00 -0.01 0.00 0.00 175.02 174.74 2ee9 h PRO 39 N 1.21 0.00 0.00 2.03 0.13 -1.88 -2.66 132.00 130.84 2ee9 h PRO 39 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ee9 h PRO 39 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ee9 h PRO 39 CO 0.56 0.23 0.00 1.03 -0.23 0.00 0.00 178.00 179.59 2ee9 h SER 40 N 0.00 0.00 0.00 1.44 0.87 -1.91 -3.46 113.55 110.49 2ee9 h SER 40 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ee9 h SER 40 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2ee9 h SER 40 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2ee9 n GLY 41 N 0.36 1.57 2.09 5.77 0.00 -1.00 -5.13 105.19 108.86 2ee9 n GLY 41 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2ee9 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ee9 n LYS 42 N -0.82 0.98 -3.90 1.61 4.76 -1.25 -4.96 118.16 114.58 2ee9 n LYS 42 Ca 0.00 -1.84 -0.10 0.00 -2.87 0.00 0.00 58.31 53.50 2ee9 n LYS 42 Cb 0.00 0.12 -0.10 0.00 -1.84 0.00 0.00 35.03 33.21 2ee9 n LYS 42 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2ee9 s THR 43 N -1.35 0.09 -0.12 -0.18 -4.23 -1.26 -1.89 115.64 106.70 2ee9 s THR 43 Ca 0.21 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 2ee9 s THR 43 Cb -0.02 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.47 2ee9 s THR 43 CO 0.13 -0.43 0.74 0.00 -0.54 0.00 0.00 174.62 174.52 2ee9 s ALA 44 N -1.51 -1.80 -0.00 3.99 0.00 -0.67 -4.96 121.76 116.80 2ee9 s ALA 44 Ca -0.14 1.52 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 2ee9 s ALA 44 Cb -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 2ee9 s ALA 44 CO 0.00 -0.35 0.40 0.95 0.00 0.00 0.00 175.76 176.77 2ee9 s THR 45 N -0.79 5.04 0.99 0.00 -4.23 -1.26 0.11 115.64 115.50 2ee9 s THR 45 Ca -0.07 0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 61.15 2ee9 s THR 45 Cb -0.01 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.30 2ee9 s THR 45 CO 0.07 0.57 1.09 -2.16 -0.54 0.00 0.00 174.62 173.65 2ee9 s PRO 46 N -1.04 0.50 -0.50 3.99 0.04 -1.26 -4.93 135.00 131.81 2ee9 s PRO 46 Ca 0.24 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 2ee9 s PRO 46 Cb -0.17 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.68 2ee9 s PRO 46 CO 0.13 -2.69 0.63 -2.00 0.04 0.00 0.00 177.00 173.11 2ee9 s GLU 47 N -4.95 3.15 -0.45 4.56 2.12 0.27 -4.94 118.70 118.46 2ee9 s GLU 47 Ca 0.65 -0.81 -0.19 0.00 0.36 0.00 0.00 54.97 54.98 2ee9 s GLU 47 Cb -0.19 -4.07 0.03 0.00 0.26 0.00 0.00 34.13 30.16 2ee9 s GLU 47 CO 0.58 -1.19 0.58 0.42 -0.54 0.00 0.00 175.26 175.10 2ee9 s ILE 48 N 2.68 4.91 -0.01 -3.70 1.01 -1.26 -1.50 121.20 123.33 2ee9 s ILE 48 Ca 0.16 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2ee9 s ILE 48 Cb -0.18 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2ee9 s ILE 48 CO 0.13 -0.60 -0.18 -0.69 0.00 0.00 0.00 174.94 173.60 2ee9 s VAL 49 N 2.57 1.42 -0.27 2.92 1.01 -1.22 -4.99 120.40 121.85 2ee9 s VAL 49 Ca 0.18 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2ee9 s VAL 49 Cb -0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2ee9 s VAL 49 CO 0.16 0.40 0.22 -0.62 0.00 0.00 0.00 175.10 175.26 2ee9 s ASP 50 N -0.43 6.07 1.14 3.32 2.15 -1.26 -1.03 116.67 126.64 2ee9 s ASP 50 Ca 0.07 0.06 -0.15 0.00 0.43 0.00 0.00 52.55 52.96 2ee9 s ASP 50 Cb -0.07 -2.14 0.26 0.00 -0.30 0.00 0.00 42.92 40.68 2ee9 s ASP 50 CO -0.01 -0.07 1.05 0.20 -0.17 0.00 0.00 175.17 176.18 2ee9 s ASN 51 N 1.68 1.30 0.00 -0.34 0.01 0.16 -4.91 114.94 112.85 2ee9 s ASN 51 Ca 0.09 1.16 0.15 0.00 -0.71 0.00 0.00 52.86 53.55 2ee9 s ASN 51 Cb -0.16 -1.79 0.69 0.00 0.41 0.00 0.00 41.25 40.40 2ee9 s ASN 51 CO 0.10 -3.95 1.47 1.17 -1.51 0.00 0.00 177.10 174.38 2ee9 n LYS 52 N -4.71 1.33 -0.11 -0.60 3.00 -1.26 -3.62 118.16 112.19 2ee9 n LYS 52 Ca 0.06 -0.51 -0.15 0.00 -0.00 0.00 0.00 58.31 57.71 2ee9 n LYS 52 Cb 0.57 -1.27 -0.11 0.00 0.00 0.00 0.00 35.03 34.22 2ee9 n LYS 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2ee9 n ASP 53 N -0.22 2.03 0.00 3.14 2.03 -1.26 -5.02 116.55 117.25 2ee9 n ASP 53 Ca 0.12 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2ee9 n ASP 53 Cb 0.16 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2ee9 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ee9 n GLY 54 N 2.34 0.68 2.67 0.27 0.00 -1.24 -5.16 105.19 104.75 2ee9 n GLY 54 Ca -0.40 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 2ee9 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ee9 n THR 55 N 0.00 0.00 -4.29 2.61 -2.24 -1.26 -4.52 114.28 104.58 2ee9 n THR 55 Ca 0.00 -1.89 -0.23 0.00 -2.27 0.00 0.00 64.05 59.67 2ee9 n THR 55 Cb 0.00 0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 2ee9 n THR 55 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ee9 s VAL 56 N -2.75 1.68 -0.20 2.28 1.01 -1.26 -0.67 120.40 120.50 2ee9 s VAL 56 Ca 0.16 -1.63 -0.00 0.00 0.00 0.00 0.00 61.98 60.50 2ee9 s VAL 56 Cb 0.01 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.84 2ee9 s VAL 56 CO 0.11 -0.15 -0.05 -0.89 0.00 0.00 0.00 175.10 174.12 2ee9 s THR 57 N -1.45 1.23 -0.74 3.92 2.01 -0.20 -1.89 115.64 118.52 2ee9 s THR 57 Ca 0.08 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.96 2ee9 s THR 57 Cb -0.09 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.99 2ee9 s THR 57 CO 0.05 0.01 1.32 -0.69 -0.69 0.00 0.00 174.62 174.61 2ee9 s VAL 58 N 1.56 3.71 -0.18 3.82 1.01 0.58 -3.39 120.40 127.50 2ee9 s VAL 58 Ca -0.02 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2ee9 s VAL 58 Cb -0.17 -4.87 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 2ee9 s VAL 58 CO -0.07 -1.81 -0.00 -0.60 0.00 0.00 0.00 175.10 172.61 2ee9 s ARG 59 N 5.79 3.68 -0.15 2.72 6.06 -0.56 -0.04 118.95 136.45 2ee9 s ARG 59 Ca 0.37 -0.50 -0.04 0.00 -2.50 0.00 0.00 55.73 53.06 2ee9 s ARG 59 Cb -0.08 -3.05 0.07 0.00 0.06 0.00 0.00 34.95 31.95 2ee9 s ARG 59 CO 0.15 0.11 0.19 -0.47 -2.50 0.00 0.00 175.30 172.78 2ee9 s TYR 60 N 0.73 -0.20 -0.18 5.12 5.04 -0.05 0.96 117.35 128.78 2ee9 s TYR 60 Ca 0.00 0.37 -0.23 0.00 -2.44 0.00 0.00 57.07 54.76 2ee9 s TYR 60 Cb -0.14 -0.33 -0.02 0.00 0.35 0.00 0.00 41.96 41.82 2ee9 s TYR 60 CO 0.02 -0.45 0.74 0.00 -1.34 0.00 0.00 175.55 174.52 2ee9 s ALA 61 N 2.30 3.53 0.25 3.97 0.00 -1.26 -3.12 121.76 127.43 2ee9 s ALA 61 Ca 0.04 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 2ee9 s ALA 61 Cb -0.14 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2ee9 s ALA 61 CO -0.09 -0.62 1.27 -1.25 0.00 0.00 0.00 175.76 175.07 2ee9 s PRO 62 N 2.06 4.43 -0.19 0.00 0.04 -1.26 -4.95 135.00 135.13 2ee9 s PRO 62 Ca 0.34 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2ee9 s PRO 62 Cb -0.16 -3.16 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 2ee9 s PRO 62 CO 0.11 -0.14 -0.07 -2.37 0.04 0.00 0.00 177.00 174.57 2ee9 n THR 63 N 1.79 1.18 -4.64 1.26 5.66 -1.26 -4.42 114.28 113.86 2ee9 n THR 63 Ca 0.03 -0.59 -0.29 0.00 -3.05 0.00 0.00 64.05 60.16 2ee9 n THR 63 Cb 0.43 -0.91 -0.09 0.00 -1.55 0.00 0.00 70.33 68.21 2ee9 n THR 63 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2ee9 s GLU 64 N -2.41 2.01 0.06 1.09 2.02 -1.26 -4.95 118.70 115.25 2ee9 s GLU 64 Ca -0.19 -2.22 -0.02 0.00 0.02 0.00 0.00 54.97 52.57 2ee9 s GLU 64 Cb 0.06 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 2ee9 s GLU 64 CO 0.59 -0.28 0.24 0.14 0.02 0.00 0.00 175.26 175.97 2ee9 s VAL 65 N -2.96 5.35 -3.76 2.63 -7.23 -1.26 -4.82 120.40 108.34 2ee9 s VAL 65 Ca 0.21 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2ee9 s VAL 65 Cb 0.05 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.38 2ee9 s VAL 65 CO 0.11 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2ee9 n GLY 66 N 0.44 0.86 3.50 2.32 0.00 -1.24 -4.85 105.19 106.21 2ee9 n GLY 66 Ca -0.06 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 2ee9 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee9 s LEU 67 N 0.00 4.29 -0.13 0.99 2.96 -1.26 -1.17 118.68 124.36 2ee9 s LEU 67 Ca 0.00 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2ee9 s LEU 67 Cb 0.00 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2ee9 s LEU 67 CO 0.00 -0.20 0.03 -1.00 -1.32 0.00 0.00 176.35 173.86 2ee9 s HIS 68 N 1.68 3.21 -0.21 5.38 3.76 -1.13 -3.72 115.29 124.25 2ee9 s HIS 68 Ca 0.06 0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2ee9 s HIS 68 Cb -0.17 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 2ee9 s HIS 68 CO 0.09 0.33 -0.05 -2.00 -0.85 0.00 0.00 174.74 172.25 2ee9 s GLU 69 N -0.34 3.38 0.05 1.40 2.12 -1.02 -2.35 118.70 121.94 2ee9 s GLU 69 Ca 0.08 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 2ee9 s GLU 69 Cb -0.12 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2ee9 s GLU 69 CO 0.02 -0.16 0.25 1.41 -0.54 0.00 0.00 175.26 176.23 2ee9 s MET 70 N 1.38 3.51 -0.12 4.30 -2.45 -0.67 -0.48 119.30 124.76 2ee9 s MET 70 Ca 0.05 -0.26 -0.02 0.00 -1.25 0.00 0.00 55.69 54.21 2ee9 s MET 70 Cb -0.14 -3.03 0.04 0.00 1.25 0.00 0.00 34.83 32.95 2ee9 s MET 70 CO -0.03 0.61 0.01 -1.01 1.05 0.00 0.00 175.02 175.65 2ee9 s HIS 71 N -1.44 0.84 -0.05 4.11 3.76 0.66 -2.20 115.29 120.97 2ee9 s HIS 71 Ca 0.32 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.82 2ee9 s HIS 71 Cb -0.13 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.65 2ee9 s HIS 71 CO 0.22 -0.45 -0.22 0.42 -0.85 0.00 0.00 174.74 173.86 2ee9 s ILE 72 N 1.92 1.79 -0.04 0.60 1.01 -1.26 -0.62 121.20 124.60 2ee9 s ILE 72 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2ee9 s ILE 72 Cb -0.14 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2ee9 s ILE 72 CO -0.07 0.50 -0.02 -0.54 0.00 0.00 0.00 174.94 174.82 2ee9 s LYS 73 N -0.10 0.54 -0.21 2.79 1.02 -0.80 -3.16 119.74 119.81 2ee9 s LYS 73 Ca -0.03 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.91 2ee9 s LYS 73 Cb -0.13 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 2ee9 s LYS 73 CO 0.03 -0.13 0.03 -0.47 -0.92 0.00 0.00 175.35 173.89 2ee9 s TYR 74 N 1.08 3.07 -1.49 3.18 5.04 0.27 -1.70 117.35 126.79 2ee9 s TYR 74 Ca -0.09 -0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.02 2ee9 s TYR 74 Cb -0.14 -2.13 0.07 0.00 0.35 0.00 0.00 41.96 40.11 2ee9 s TYR 74 CO -0.01 -0.24 1.04 -1.33 -1.34 0.00 0.00 175.55 173.67 2ee9 n MET 75 N 4.38 -6.15 -1.77 4.97 2.81 0.16 -0.69 117.12 120.83 2ee9 n MET 75 Ca -0.17 0.66 -0.12 0.00 -1.81 0.00 0.00 57.70 56.26 2ee9 n MET 75 Cb 0.52 -5.59 -0.03 0.00 -0.71 0.00 0.00 33.22 27.41 2ee9 n MET 75 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ee9 n GLY 76 N -1.77 0.61 2.78 3.03 0.00 -1.26 -5.00 105.19 103.58 2ee9 n GLY 76 Ca 0.03 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 2ee9 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee9 s SER 77 N -2.67 1.67 0.51 1.61 0.01 0.13 -5.12 113.70 109.83 2ee9 s SER 77 Ca 0.00 -0.12 -0.22 0.00 1.31 0.00 0.00 55.95 56.92 2ee9 s SER 77 Cb 0.00 -0.47 -0.07 0.00 0.21 0.00 0.00 66.02 65.68 2ee9 s SER 77 CO 0.00 -0.19 1.14 1.41 0.41 0.00 0.00 173.24 176.00 2ee9 n HIS 78 N 5.13 1.54 -3.40 2.43 8.25 -1.26 -0.57 115.22 127.35 2ee9 n HIS 78 Ca -0.07 0.48 -0.29 0.00 -0.26 0.00 0.00 57.72 57.57 2ee9 n HIS 78 Cb 0.50 -2.27 -0.04 0.00 1.12 0.00 0.00 29.99 29.31 2ee9 n HIS 78 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2ee9 s ILE 79 N -1.33 5.02 -2.00 1.59 -4.36 -1.19 -4.81 121.20 114.12 2ee9 s ILE 79 Ca 0.68 0.13 0.11 0.00 -0.26 0.00 0.00 60.65 61.31 2ee9 s ILE 79 Cb -0.47 -3.70 0.32 0.00 1.25 0.00 0.00 42.46 39.86 2ee9 s ILE 79 CO 0.52 -0.23 1.10 -0.81 0.24 0.00 0.00 174.94 175.76 2ee9 n PRO 80 N -0.67 0.49 -0.00 0.37 -0.04 -1.26 -1.81 135.00 132.08 2ee9 n PRO 80 Ca -0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 2ee9 n PRO 80 Cb 0.53 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2ee9 n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ee9 n GLU 81 N -0.86 2.61 -4.26 0.54 -0.58 -1.26 -5.01 120.64 111.81 2ee9 n GLU 81 Ca 0.08 -0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.66 2ee9 n GLU 81 Cb 0.04 -1.10 -0.10 0.00 -0.57 0.00 0.00 31.44 29.71 2ee9 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ee9 s SER 82 N -2.35 1.80 0.82 1.62 0.01 -0.75 -4.26 113.70 110.59 2ee9 s SER 82 Ca 0.03 -1.05 -0.11 0.00 1.31 0.00 0.00 55.95 56.13 2ee9 s SER 82 Cb 0.09 -0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.39 2ee9 s SER 82 CO 0.49 -0.36 1.09 -2.16 0.41 0.00 0.00 173.24 172.71 2ee9 s PRO 83 N -3.77 1.91 0.21 12.44 0.04 -1.26 -4.42 135.00 140.15 2ee9 s PRO 83 Ca 0.19 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2ee9 s PRO 83 Cb 0.03 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2ee9 s PRO 83 CO 0.02 -1.85 -0.01 -0.48 0.04 0.00 0.00 177.00 174.72 2ee9 s LEU 84 N -6.03 2.18 -0.01 -3.56 0.05 -0.93 -4.98 118.68 105.40 2ee9 s LEU 84 Ca 0.62 -1.20 0.02 0.00 0.05 0.00 0.00 54.13 53.62 2ee9 s LEU 84 Cb -0.17 -0.22 0.00 0.00 -2.05 0.00 0.00 46.19 43.75 2ee9 s LEU 84 CO 0.56 -0.52 -0.06 -1.10 -0.55 0.00 0.00 176.35 174.68 2ee9 s GLN 85 N -3.87 0.63 -0.08 1.48 -0.21 -1.26 -1.67 119.66 114.68 2ee9 s GLN 85 Ca 0.27 -0.22 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 2ee9 s GLN 85 Cb 0.06 -0.62 0.05 0.00 1.00 0.00 0.00 33.01 33.50 2ee9 s GLN 85 CO 0.07 0.10 0.16 -0.59 -2.12 0.00 0.00 175.29 172.91 2ee9 s PHE 86 N 0.09 -0.19 0.08 0.91 -0.71 -0.99 -5.01 117.98 112.15 2ee9 s PHE 86 Ca -0.01 0.62 -0.28 0.00 -1.04 0.00 0.00 56.93 56.23 2ee9 s PHE 86 Cb -0.06 -0.23 -0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2ee9 s PHE 86 CO -0.00 -0.27 0.88 -0.47 -1.34 0.00 0.00 175.22 174.02 2ee9 s TYR 87 N 2.19 3.77 -0.52 3.49 5.04 -1.26 -2.84 117.35 127.23 2ee9 s TYR 87 Ca 0.02 1.66 -0.18 0.00 -2.44 0.00 0.00 57.07 56.13 2ee9 s TYR 87 Cb -0.12 -2.96 0.08 0.00 0.35 0.00 0.00 41.96 39.31 2ee9 s TYR 87 CO -0.06 0.22 0.56 0.08 -1.34 0.00 0.00 175.55 175.02 2ee9 s VAL 88 N 0.02 5.00 0.59 3.14 1.01 -0.32 -4.98 120.40 124.87 2ee9 s VAL 88 Ca 0.44 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2ee9 s VAL 88 Cb -0.22 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2ee9 s VAL 88 CO 0.27 -0.80 0.97 0.20 0.00 0.00 0.00 175.10 175.73 2ee9 s ASN 89 N 2.92 6.13 0.33 3.32 0.01 -1.26 -3.62 114.94 122.77 2ee9 s ASN 89 Ca 0.10 1.23 -0.28 0.00 -0.71 0.00 0.00 52.86 53.20 2ee9 s ASN 89 Cb -0.23 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.02 2ee9 s ASN 89 CO 0.08 -0.85 1.16 -0.47 -1.51 0.00 0.00 177.10 175.51 2ee9 s TYR 90 N -3.07 3.30 -2.00 2.20 5.04 -1.26 -4.89 117.35 116.67 2ee9 s TYR 90 Ca 0.53 1.60 0.09 0.00 -2.44 0.00 0.00 57.07 56.85 2ee9 s TYR 90 Cb -0.11 -3.38 0.57 0.00 0.35 0.00 0.00 41.96 39.38 2ee9 s TYR 90 CO 0.51 -1.03 1.01 -0.35 -1.34 0.00 0.00 175.55 174.34 2ee9 n PRO 91 N 0.70 0.49 -2.94 4.97 -0.04 -1.26 -4.70 135.00 132.21 2ee9 n PRO 91 Ca 0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2ee9 n PRO 91 Cb 0.45 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 2ee9 n PRO 91 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ee9 s ASN 92 N -1.81 6.83 0.22 3.54 3.84 -1.26 -5.02 114.94 121.29 2ee9 s ASN 92 Ca 0.14 1.03 -0.19 0.00 0.21 0.00 0.00 52.86 54.04 2ee9 s ASN 92 Cb 0.07 -2.42 0.03 0.00 -0.55 0.00 0.00 41.25 38.37 2ee9 s ASN 92 CO 0.11 -0.43 0.61 -0.55 -2.79 0.00 0.00 177.10 174.04 2ee9 s SER 93 N 1.27 -0.31 0.00 -4.21 0.15 -1.26 -5.14 113.70 104.20 2ee9 s SER 93 Ca 0.34 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2ee9 s SER 93 Cb -0.16 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2ee9 s SER 93 CO 0.09 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2ee9 n GLY 94 N -0.40 0.22 0.00 9.45 0.00 -1.26 -5.29 105.19 107.91 2ee9 n GLY 94 Ca -0.08 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.42 2ee9 n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06