#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 s SER 2 N 0.00 2.42 0.25 1.61 0.15 -1.26 -5.16 113.70 111.70 1x49 s SER 2 Ca 0.00 -1.22 0.10 0.00 0.70 0.00 0.00 55.95 55.52 1x49 s SER 2 Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1x49 s SER 2 CO 0.00 -0.43 -0.06 -0.94 1.20 0.00 0.00 173.24 173.01 1x49 s SER 3 N -3.40 4.29 0.00 5.45 1.04 -1.26 -5.04 113.70 114.78 1x49 s SER 3 Ca 0.30 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1x49 s SER 3 Cb 0.05 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.46 1x49 s SER 3 CO 0.11 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1x49 n GLY 4 N -0.61 -0.25 3.69 7.32 0.00 -1.26 -4.95 105.19 109.14 1x49 n GLY 4 Ca -0.07 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1x49 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 s SER 5 N -4.00 7.18 -0.05 1.61 0.01 -1.26 -5.03 113.70 112.16 1x49 s SER 5 Ca 0.00 1.68 0.04 0.00 1.31 0.00 0.00 55.95 58.98 1x49 s SER 5 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x49 s SER 5 CO 0.00 -0.48 -0.18 -0.94 0.41 0.00 0.00 173.24 172.05 1x49 s SER 6 N 1.22 2.28 -0.12 2.44 1.04 -1.26 -5.13 113.70 114.17 1x49 s SER 6 Ca 0.52 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1x49 s SER 6 Cb -0.22 -0.65 0.02 0.00 0.10 0.00 0.00 66.02 65.27 1x49 s SER 6 CO 0.21 0.16 -0.16 -0.83 0.98 0.00 0.00 173.24 173.61 1x49 s GLY 7 N 0.03 1.08 -0.20 7.32 0.00 -1.26 -5.11 107.32 109.18 1x49 s GLY 7 Ca -0.04 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1x49 s GLY 7 CO 0.03 0.25 1.15 -0.29 0.00 0.00 0.00 173.10 174.24 1x49 s MET 8 N 1.05 0.37 0.15 2.90 -2.45 -1.26 -5.16 119.30 114.90 1x49 s MET 8 Ca -0.05 0.05 -0.21 0.00 -1.25 0.00 0.00 55.69 54.23 1x49 s MET 8 Cb -0.15 0.17 -0.08 0.00 1.25 0.00 0.00 34.83 36.03 1x49 s MET 8 CO -0.03 -0.12 0.67 0.00 1.05 0.00 0.00 175.02 176.59 1x49 s ALA 9 N -1.31 3.49 0.16 4.11 0.00 -1.26 -5.08 121.76 121.87 1x49 s ALA 9 Ca 0.04 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1x49 s ALA 9 Cb -0.01 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1x49 s ALA 9 CO -0.03 0.35 -0.15 -1.12 0.00 0.00 0.00 175.76 174.81 1x49 s SER 10 N -1.36 2.34 -0.59 0.00 0.01 -1.26 -5.11 113.70 107.74 1x49 s SER 10 Ca 0.36 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1x49 s SER 10 Cb -0.19 -0.11 0.15 0.00 0.21 0.00 0.00 66.02 66.08 1x49 s SER 10 CO 0.22 -0.13 0.36 -1.81 0.41 0.00 0.00 173.24 172.28 1x49 s ASP 11 N -2.81 4.40 -0.12 2.44 1.01 -1.26 -5.09 116.67 115.24 1x49 s ASP 11 Ca 0.15 -3.34 -0.10 0.00 0.71 0.00 0.00 52.55 49.97 1x49 s ASP 11 Cb -0.03 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.29 1x49 s ASP 11 CO 0.05 -0.17 0.21 -0.89 0.21 0.00 0.00 175.17 174.58 1x49 s THR 12 N -0.72 5.37 -0.02 -1.27 2.01 -1.26 -5.02 115.64 114.73 1x49 s THR 12 Ca 0.21 0.38 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 1x49 s THR 12 Cb -0.16 -3.51 -0.20 0.00 0.01 0.00 0.00 72.50 68.64 1x49 s THR 12 CO -0.07 0.54 1.25 1.55 -0.69 0.00 0.00 174.62 177.19 1x49 h PRO 13 N 5.52 -0.03 -2.02 4.92 0.13 -1.99 -3.40 132.00 135.14 1x49 h PRO 13 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1x49 h PRO 13 Cb 1.20 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1x49 h PRO 13 CO 0.65 0.45 -1.06 0.41 -0.23 0.00 0.00 178.00 178.21 1x49 n GLY 14 N 0.22 3.14 0.23 1.56 0.00 -1.26 -4.65 105.19 104.42 1x49 n GLY 14 Ca -0.08 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 1x49 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1x49 h PHE 15 N 3.93 -0.47 -0.73 1.61 3.57 -1.94 -2.82 116.94 120.09 1x49 h PHE 15 Ca 0.09 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1x49 h PHE 15 Cb 0.86 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1x49 h PHE 15 CO 0.42 -0.24 0.35 1.88 -2.23 0.00 0.00 178.31 178.49 1x49 h TYR 16 N -0.61 1.06 -0.55 0.41 0.05 -1.93 -2.02 116.97 113.38 1x49 h TYR 16 Ca -0.05 -0.05 0.16 0.00 0.05 0.00 0.00 58.73 58.84 1x49 h TYR 16 Cb 0.45 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1x49 h TYR 16 CO -0.03 0.78 0.47 0.52 -1.05 0.00 0.00 178.16 178.86 1x49 h MET 17 N 1.03 0.00 -0.04 4.88 2.86 -1.80 0.17 114.93 122.03 1x49 h MET 17 Ca 0.25 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.66 1x49 h MET 17 Cb 0.12 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1x49 h MET 17 CO -0.03 0.00 -0.91 -0.44 1.06 0.00 0.00 176.91 176.59 1x49 h ASP 18 N 0.00 0.70 0.56 1.22 3.32 -1.11 -3.15 116.42 117.97 1x49 h ASP 18 Ca 0.26 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1x49 h ASP 18 Cb 1.21 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1x49 h ASP 18 CO -0.00 1.31 -0.30 0.11 -1.72 0.00 0.00 179.24 178.64 1x49 h LYS 19 N 0.34 0.00 0.70 3.56 1.57 -0.64 -2.98 116.57 119.12 1x49 h LYS 19 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1x49 h LYS 19 Cb 1.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.85 1x49 h LYS 19 CO 0.17 0.30 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.94 1x49 h LEU 20 N 0.00 -0.80 -0.74 2.94 3.38 -1.35 -2.74 115.31 116.00 1x49 h LEU 20 Ca -0.00 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1x49 h LEU 20 Cb 0.66 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1x49 h LEU 20 CO 0.04 -0.43 0.24 -1.13 0.09 0.00 0.00 178.44 177.25 1x49 h ASN 21 N -1.22 0.15 -0.01 -0.43 -0.73 -1.57 0.68 115.58 112.44 1x49 h ASN 21 Ca -0.10 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1x49 h ASN 21 Cb 0.72 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.45 1x49 h ASN 21 CO 0.16 0.03 0.02 0.11 -0.37 0.00 0.00 177.43 177.38 1x49 h LYS 22 N 0.36 0.00 0.01 6.67 1.57 -1.52 -0.20 116.57 123.46 1x49 h LYS 22 Ca 0.42 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.86 1x49 h LYS 22 Cb 0.68 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 1x49 h LYS 22 CO -0.45 0.00 -2.08 0.98 -0.57 0.00 0.00 179.45 177.32 1x49 n TYR 23 N -3.43 0.54 0.16 -1.35 4.19 0.20 -3.40 117.16 114.07 1x49 n TYR 23 Ca -0.03 0.18 0.01 0.00 3.31 0.00 0.00 57.90 61.37 1x49 n TYR 23 Cb 0.10 -1.09 0.24 0.00 0.49 0.00 0.00 39.34 39.07 1x49 n TYR 23 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1x49 h ARG 24 N 0.01 0.00 0.00 2.98 0.11 0.52 -1.15 114.38 116.85 1x49 h ARG 24 Ca -0.43 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.41 1x49 h ARG 24 Cb 2.10 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 33.14 1x49 h ARG 24 CO 0.04 0.53 -1.26 -0.56 0.10 0.00 0.00 179.97 178.82 1x49 h GLN 25 N 0.00 0.00 0.11 0.08 3.07 -1.24 -0.64 115.11 116.49 1x49 h GLN 25 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1x49 h GLN 25 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.55 1x49 h GLN 25 CO 0.07 0.77 -0.05 0.52 0.09 0.00 0.00 178.83 180.22 1x49 h MET 26 N 0.00 -0.14 -0.05 0.06 2.86 -1.55 -3.35 114.93 112.76 1x49 h MET 26 Ca -0.12 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1x49 h MET 26 Cb 1.84 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.52 1x49 h MET 26 CO 0.11 0.10 -0.56 0.45 1.06 0.00 0.00 176.91 178.06 1x49 h HIS 27 N -1.01 0.20 -0.96 -0.22 3.86 -1.39 -3.48 115.15 112.15 1x49 h HIS 27 Ca -0.02 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1x49 h HIS 27 Cb 0.31 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1x49 h HIS 27 CO 0.05 0.69 0.00 0.41 0.86 0.00 0.00 177.93 179.94 1x49 n GLY 28 N 0.15 0.57 3.76 2.45 0.00 -0.65 -5.07 105.19 106.40 1x49 n GLY 28 Ca -0.02 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1x49 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x49 s VAL 29 N -2.15 2.20 -0.26 1.61 -7.23 -0.34 -5.02 120.40 109.21 1x49 s VAL 29 Ca 0.00 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1x49 s VAL 29 Cb 0.00 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1x49 s VAL 29 CO 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.81 1x49 s ALA 30 N -2.62 2.94 -0.22 1.32 0.00 -1.26 -4.70 121.76 117.21 1x49 s ALA 30 Ca 0.39 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1x49 s ALA 30 Cb 0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1x49 s ALA 30 CO 0.22 -0.71 0.09 0.42 0.00 0.00 0.00 175.76 175.78 1x49 s ILE 31 N 1.48 4.75 -0.07 0.00 1.01 -1.25 -2.25 121.20 124.87 1x49 s ILE 31 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1x49 s ILE 31 Cb -0.16 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1x49 s ILE 31 CO -0.00 0.39 -0.14 -0.89 0.00 0.00 0.00 174.94 174.29 1x49 s THR 32 N 1.00 1.28 -0.45 2.92 2.01 0.06 -4.92 115.64 117.54 1x49 s THR 32 Ca 0.05 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1x49 s THR 32 Cb -0.14 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.27 1x49 s THR 32 CO 0.03 0.39 0.39 -0.31 -0.69 0.00 0.00 174.62 174.43 1x49 s TYR 33 N 0.63 3.23 0.18 4.92 1.51 -1.26 0.23 117.35 126.78 1x49 s TYR 33 Ca -0.15 -0.78 -0.19 0.00 -1.01 0.00 0.00 57.07 54.95 1x49 s TYR 33 Cb -0.16 -3.02 -0.08 0.00 -0.11 0.00 0.00 41.96 38.59 1x49 s TYR 33 CO 0.04 -0.75 0.66 0.21 -1.11 0.00 0.00 175.55 174.60 1x49 s LYS 34 N 1.74 4.19 -0.28 -0.62 2.20 -0.22 -4.96 119.74 121.80 1x49 s LYS 34 Ca 0.05 0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 56.32 1x49 s LYS 34 Cb -0.22 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1x49 s LYS 34 CO 0.08 0.47 0.20 -2.00 -0.36 0.00 0.00 175.35 173.73 1x49 s GLU 35 N -1.78 3.92 0.55 4.03 2.12 -1.26 -2.71 118.70 123.56 1x49 s GLU 35 Ca 0.39 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.43 1x49 s GLU 35 Cb -0.17 -3.67 0.10 0.00 0.26 0.00 0.00 34.13 30.65 1x49 s GLU 35 CO 0.21 -0.20 0.76 1.28 -0.54 0.00 0.00 175.26 176.76 1x49 n LEU 36 N 5.07 0.00 -4.81 2.70 4.77 -1.09 -5.05 117.00 118.59 1x49 n LEU 36 Ca -0.14 -2.02 -0.30 0.00 -0.03 0.00 0.00 56.01 53.53 1x49 n LEU 36 Cb 0.52 -0.44 0.21 0.00 -2.33 0.00 0.00 43.42 41.37 1x49 n LEU 36 CO 0.33 -0.78 0.78 -0.94 -1.33 0.00 0.00 177.39 175.46 1x49 s SER 37 N -4.25 2.28 -0.21 -1.43 1.04 -1.26 -4.63 113.70 105.24 1x49 s SER 37 Ca 0.54 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 1x49 s SER 37 Cb -0.04 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 1x49 s SER 37 CO 0.35 -3.26 0.06 -0.89 0.98 0.00 0.00 173.24 170.48 1x49 s THR 38 N -3.57 4.55 0.07 2.02 2.01 -1.26 -3.32 115.64 116.14 1x49 s THR 38 Ca 0.73 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.72 1x49 s THR 38 Cb -0.06 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1x49 s THR 38 CO 0.54 0.40 -0.27 -0.44 -0.69 0.00 0.00 174.62 174.17 1x49 s SER 39 N 0.92 3.20 0.00 3.53 0.01 -0.93 -4.94 113.70 115.50 1x49 s SER 39 Ca 0.04 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1x49 s SER 39 Cb -0.14 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1x49 s SER 39 CO 0.03 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1x49 n GLY 40 N 1.52 0.82 3.68 3.44 0.00 -1.26 -3.05 105.19 110.34 1x49 n GLY 40 Ca -0.17 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1x49 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x49 s PRO 41 N -1.40 0.56 0.03 1.61 0.04 -1.17 -4.95 135.00 129.72 1x49 s PRO 41 Ca 0.00 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1x49 s PRO 41 Cb 0.00 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.64 1x49 s PRO 41 CO 0.00 -2.65 1.33 -1.00 0.04 0.00 0.00 177.00 174.72 1x49 h PRO 42 N -1.84 0.30 0.19 0.56 0.13 -2.02 -3.31 132.00 126.01 1x49 h PRO 42 Ca -0.54 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.43 1x49 h PRO 42 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1x49 h PRO 42 CO 0.57 0.70 -0.09 1.12 -0.23 0.00 0.00 178.00 180.07 1x49 h HIS 43 N -0.09 -0.23 -3.60 1.56 2.07 -2.05 -3.40 115.15 109.41 1x49 h HIS 43 Ca 0.02 -0.01 -0.68 0.00 -2.85 0.00 0.00 60.37 56.86 1x49 h HIS 43 Cb 0.65 0.08 -0.26 0.00 2.57 0.00 0.00 27.41 30.44 1x49 h HIS 43 CO 0.09 -0.09 -0.62 -0.51 -3.07 0.00 0.00 177.93 173.72 1x49 s ASP 44 N -5.03 5.10 -0.25 3.10 1.01 -1.24 -5.08 116.67 114.28 1x49 s ASP 44 Ca -0.14 -0.68 -0.09 0.00 0.71 0.00 0.00 52.55 52.34 1x49 s ASP 44 Cb 0.05 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1x49 s ASP 44 CO 0.64 -0.18 0.13 -0.13 0.21 0.00 0.00 175.17 175.85 1x49 s ARG 45 N 1.50 3.90 -0.24 8.23 1.81 -1.25 -3.05 118.95 129.85 1x49 s ARG 45 Ca 0.03 -0.35 -0.09 0.00 -1.72 0.00 0.00 55.73 53.59 1x49 s ARG 45 Cb -0.17 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.80 1x49 s ARG 45 CO 0.02 -0.07 0.12 1.03 -0.68 0.00 0.00 175.30 175.72 1x49 s ARG 46 N 1.38 3.90 -0.16 3.54 1.81 -1.17 -4.86 118.95 123.39 1x49 s ARG 46 Ca 0.06 -0.36 -0.20 0.00 -1.72 0.00 0.00 55.73 53.52 1x49 s ARG 46 Cb -0.15 -3.43 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 1x49 s ARG 46 CO 0.06 -0.02 0.59 -0.06 -0.68 0.00 0.00 175.30 175.19 1x49 s PHE 47 N 1.22 3.44 0.00 -0.53 0.08 -1.11 -2.18 117.98 118.91 1x49 s PHE 47 Ca 0.06 0.95 -0.06 0.00 0.12 0.00 0.00 56.93 58.00 1x49 s PHE 47 Cb -0.14 -2.72 -0.05 0.00 -0.57 0.00 0.00 43.02 39.54 1x49 s PHE 47 CO 0.05 -0.03 0.25 0.99 -0.10 0.00 0.00 175.22 176.38 1x49 s THR 48 N 1.36 5.33 0.18 0.64 2.01 -1.21 -1.36 115.64 122.59 1x49 s THR 48 Ca 0.29 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1x49 s THR 48 Cb -0.16 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1x49 s THR 48 CO 0.12 0.36 0.18 -0.36 -0.69 0.00 0.00 174.62 174.22 1x49 s PHE 49 N -1.30 0.88 0.07 4.92 0.40 -0.30 -2.66 117.98 119.99 1x49 s PHE 49 Ca 0.27 -1.18 -0.21 0.00 -0.60 0.00 0.00 56.93 55.22 1x49 s PHE 49 Cb -0.13 -0.38 0.05 0.00 0.51 0.00 0.00 43.02 43.07 1x49 s PHE 49 CO 0.16 -0.67 0.49 1.14 0.70 0.00 0.00 175.22 177.04 1x49 s GLN 50 N -4.09 1.05 0.18 0.44 -2.07 -1.10 -0.56 119.66 113.51 1x49 s GLN 50 Ca 0.30 -0.38 0.10 0.00 -1.82 0.00 0.00 55.36 53.57 1x49 s GLN 50 Cb 0.06 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1x49 s GLN 50 CO 0.08 -0.39 -0.17 0.08 -1.32 0.00 0.00 175.29 173.56 1x49 s VAL 51 N -2.87 2.78 -0.19 3.63 1.01 -1.26 -1.05 120.40 122.46 1x49 s VAL 51 Ca -0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1x49 s VAL 51 Cb -0.00 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1x49 s VAL 51 CO -0.05 -0.09 -0.01 -0.76 0.00 0.00 0.00 175.10 174.19 1x49 s LEU 52 N -2.68 1.56 -0.22 3.92 1.02 0.13 -2.59 118.68 119.83 1x49 s LEU 52 Ca 0.22 -0.80 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1x49 s LEU 52 Cb -0.09 -0.80 0.01 0.00 0.02 0.00 0.00 46.19 45.34 1x49 s LEU 52 CO 0.12 -0.25 -0.07 -0.63 0.02 0.00 0.00 176.35 175.54 1x49 s ILE 53 N 1.70 3.00 -0.95 -0.59 1.01 -1.17 -0.76 121.20 123.45 1x49 s ILE 53 Ca -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1x49 s ILE 53 Cb -0.17 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1x49 s ILE 53 CO -0.07 0.36 0.81 -0.67 0.00 0.00 0.00 174.94 175.36 1x49 n ASP 54 N 4.73 -3.35 -1.91 3.58 2.03 -0.96 -2.24 116.55 118.43 1x49 n ASP 54 Ca -0.18 -0.44 -0.20 0.00 0.52 0.00 0.00 54.79 54.49 1x49 n ASP 54 Cb 0.49 -3.94 -0.05 0.00 -0.72 0.00 0.00 41.12 36.91 1x49 n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x49 n GLU 55 N -3.56 -1.49 -4.01 -0.67 -0.58 -1.26 -4.97 120.64 104.09 1x49 n GLU 55 Ca -0.13 1.09 -0.35 0.00 -0.42 0.00 0.00 57.16 57.35 1x49 n GLU 55 Cb 0.59 -5.57 -0.06 0.00 -0.57 0.00 0.00 31.44 25.83 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x49 s LYS 56 N -4.35 3.29 -0.43 3.49 2.20 -0.95 -5.08 119.74 117.91 1x49 s LYS 56 Ca 0.00 -0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 1x49 s LYS 56 Cb 0.00 -3.04 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 1x49 s LYS 56 CO 0.00 0.71 0.33 -1.21 -0.36 0.00 0.00 175.35 174.82 1x49 s GLU 57 N -1.38 2.97 0.43 4.03 2.02 -1.26 -3.03 118.70 122.47 1x49 s GLU 57 Ca 0.19 -1.12 -0.06 0.00 0.02 0.00 0.00 54.97 54.00 1x49 s GLU 57 Cb -0.12 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 1x49 s GLU 57 CO 0.09 -0.83 0.73 -0.06 0.02 0.00 0.00 175.26 175.21 1x49 s PHE 58 N 1.67 3.52 -0.43 1.61 0.40 -1.07 -5.01 117.98 118.68 1x49 s PHE 58 Ca 0.05 0.80 -0.28 0.00 -0.60 0.00 0.00 56.93 56.90 1x49 s PHE 58 Cb -0.21 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 1x49 s PHE 58 CO 0.09 -0.14 1.75 -1.25 0.70 0.00 0.00 175.22 176.37 1x49 s PRO 59 N -4.34 3.17 0.96 0.24 0.04 -1.26 -4.63 135.00 129.19 1x49 s PRO 59 Ca 0.47 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1x49 s PRO 59 Cb -0.10 -4.22 0.18 0.00 0.04 0.00 0.00 34.50 30.40 1x49 s PRO 59 CO 0.39 -2.06 0.42 -0.85 0.04 0.00 0.00 177.00 174.93 1x49 n GLU 60 N 8.59 -1.33 -3.44 4.56 0.00 -1.26 -4.88 120.64 122.88 1x49 n GLU 60 Ca 0.21 -0.70 -0.13 0.00 0.00 0.00 0.00 57.16 56.55 1x49 n GLU 60 Cb 0.48 -1.42 -0.03 0.00 0.00 0.00 0.00 31.44 30.48 1x49 n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x49 s ALA 61 N -2.05 -1.64 0.00 -1.84 0.00 0.28 -4.89 121.76 111.61 1x49 s ALA 61 Ca 0.32 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 1x49 s ALA 61 Cb -0.06 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1x49 s ALA 61 CO 0.27 -0.70 0.30 0.15 0.00 0.00 0.00 175.76 175.77 1x49 s LYS 62 N -3.32 3.65 -0.04 0.00 1.02 -1.26 -1.15 119.74 118.63 1x49 s LYS 62 Ca -0.00 0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 1x49 s LYS 62 Cb -0.01 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1x49 s LYS 62 CO -0.09 0.66 0.09 0.20 -0.92 0.00 0.00 175.35 175.28 1x49 s GLY 63 N -1.52 0.02 0.12 -3.33 0.00 -0.46 -4.74 107.32 97.40 1x49 s GLY 63 Ca 0.26 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 45.21 1x49 s GLY 63 CO 0.14 0.76 1.18 0.54 0.00 0.00 0.00 173.10 175.73 1x49 n ARG 64 N 4.03 -0.33 -3.84 2.90 1.74 -1.26 -2.74 116.66 117.16 1x49 n ARG 64 Ca -0.25 1.16 -0.23 0.00 -0.77 0.00 0.00 57.85 57.75 1x49 n ARG 64 Cb 0.52 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1x49 n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x49 s SER 65 N -5.35 4.73 0.23 0.55 0.15 -1.26 -4.37 113.70 108.38 1x49 s SER 65 Ca -0.09 -0.98 -0.06 0.00 0.70 0.00 0.00 55.95 55.52 1x49 s SER 65 Cb 0.08 -0.32 0.38 0.00 -1.71 0.00 0.00 66.02 64.46 1x49 s SER 65 CO 0.47 -0.71 1.77 0.50 1.20 0.00 0.00 173.24 176.47 1x49 h LYS 66 N 1.11 0.58 -0.10 5.44 1.63 -1.91 -1.45 116.57 121.87 1x49 h LYS 66 Ca -0.41 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 1x49 h LYS 66 Cb 1.27 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1x49 h LYS 66 CO 0.62 0.38 -0.18 0.37 -3.45 0.00 0.00 179.45 177.19 1x49 h GLN 67 N 0.60 0.30 -0.97 1.90 5.75 -1.95 -3.07 115.11 117.66 1x49 h GLN 67 Ca 0.37 -0.19 0.23 0.00 -0.15 0.00 0.00 58.65 58.92 1x49 h GLN 67 Cb 0.43 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.92 1x49 h GLN 67 CO -0.29 0.77 0.63 1.49 -2.65 0.00 0.00 178.83 178.78 1x49 h GLU 68 N -0.15 0.42 0.22 1.69 4.57 -1.70 -1.29 114.58 118.35 1x49 h GLU 68 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1x49 h GLU 68 Cb 0.76 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1x49 h GLU 68 CO 0.04 0.28 -0.11 0.00 -1.18 0.00 0.00 179.01 178.04 1x49 h ALA 69 N 1.61 -0.30 -0.77 2.92 0.00 -1.23 -1.98 119.26 119.50 1x49 h ALA 69 Ca 0.53 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.42 1x49 h ALA 69 Cb 1.29 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.09 1x49 h ALA 69 CO -0.24 -0.50 0.27 0.00 0.00 0.00 0.00 179.25 178.78 1x49 h ARG 70 N -0.63 0.36 -0.45 0.00 3.08 -1.17 0.17 114.38 115.74 1x49 h ARG 70 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1x49 h ARG 70 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1x49 h ARG 70 CO 0.05 0.24 0.12 -0.97 -1.07 0.00 0.00 179.97 178.33 1x49 h ASN 71 N 0.37 0.67 0.45 7.04 -0.73 -1.36 -2.60 115.58 119.41 1x49 h ASN 71 Ca 0.44 -0.22 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1x49 h ASN 71 Cb 0.74 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1x49 h ASN 71 CO -0.47 0.72 -0.22 0.00 -0.37 0.00 0.00 177.43 177.09 1x49 h ALA 72 N 0.98 -0.60 -0.95 1.57 0.00 -0.28 -2.27 119.26 117.70 1x49 h ALA 72 Ca 0.14 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1x49 h ALA 72 Cb 0.31 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1x49 h ALA 72 CO -0.00 -0.79 0.66 0.00 0.00 0.00 0.00 179.25 179.12 1x49 h ALA 73 N -0.18 2.60 0.00 0.00 0.00 -0.74 0.64 119.26 121.58 1x49 h ALA 73 Ca -0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1x49 h ALA 73 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x49 h ALA 73 CO 0.10 -0.90 -0.47 0.00 0.00 0.00 0.00 179.25 177.99 1x49 h ALA 74 N 1.56 0.85 -0.43 0.00 0.00 -1.07 -3.18 119.26 116.99 1x49 h ALA 74 Ca 0.48 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x49 h ALA 74 Cb 1.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1x49 h ALA 74 CO -0.10 0.58 0.27 -0.22 0.00 0.00 0.00 179.25 179.78 1x49 h LYS 75 N 0.00 0.59 -0.49 0.00 3.64 0.87 0.16 116.57 121.33 1x49 h LYS 75 Ca -0.00 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1x49 h LYS 75 Cb 1.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1x49 h LYS 75 CO 0.06 0.43 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.51 1x49 h LEU 76 N 0.58 0.87 0.47 5.20 3.38 -1.56 -2.57 115.31 121.67 1x49 h LEU 76 Ca 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1x49 h LEU 76 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1x49 h LEU 76 CO -0.03 0.98 -0.22 0.00 0.09 0.00 0.00 178.44 179.25 1x49 h ALA 77 N 1.10 -0.76 -1.16 1.53 0.00 -1.45 -2.88 119.26 115.65 1x49 h ALA 77 Ca 0.13 -0.14 0.34 0.00 0.00 0.00 0.00 54.91 55.25 1x49 h ALA 77 Cb 0.59 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1x49 h ALA 77 CO 0.04 -0.71 0.74 0.28 0.00 0.00 0.00 179.25 179.60 1x49 h VAL 78 N -0.95 0.33 -0.20 0.00 2.07 -0.77 0.30 116.25 117.04 1x49 h VAL 78 Ca -0.06 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1x49 h VAL 78 Cb 0.48 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1x49 h VAL 78 CO 0.11 0.05 0.09 -0.78 0.02 0.00 0.00 177.57 177.05 1x49 h ASP 79 N 0.25 0.26 0.04 0.57 1.82 -1.44 -2.68 116.42 115.23 1x49 h ASP 79 Ca 0.70 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1x49 h ASP 79 Cb 1.99 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.93 1x49 h ASP 79 CO -0.37 0.33 -0.02 0.40 -1.61 0.00 0.00 179.24 177.97 1x49 h ILE 80 N 0.17 1.03 -0.59 2.25 2.04 -0.22 -3.06 117.51 119.14 1x49 h ILE 80 Ca 0.07 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1x49 h ILE 80 Cb 0.15 1.17 -0.11 0.00 -0.74 0.00 0.00 36.82 37.28 1x49 h ILE 80 CO -0.01 0.05 -0.27 -0.07 0.00 0.00 0.00 178.15 177.85 1x49 h LEU 81 N -0.14 -0.96 -0.74 1.44 3.38 -1.24 0.19 115.31 117.24 1x49 h LEU 81 Ca -0.01 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.34 1x49 h LEU 81 Cb 0.13 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 1x49 h LEU 81 CO 0.01 -0.28 -0.09 -0.78 0.09 0.00 0.00 178.44 177.39 1x49 h ASP 82 N -0.12 -0.51 0.32 -0.43 1.82 -1.37 0.38 116.42 116.50 1x49 h ASP 82 Ca 0.25 0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.98 1x49 h ASP 82 Cb 0.53 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 1x49 h ASP 82 CO -0.66 -0.21 -0.50 -1.13 -1.61 0.00 0.00 179.24 175.12 1x49 h ASN 83 N 0.05 0.23 0.08 2.28 -0.00 -0.93 -2.77 115.58 114.51 1x49 h ASN 83 Ca 0.38 -0.11 -0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1x49 h ASN 83 Cb 0.64 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1x49 h ASN 83 CO -0.71 0.69 -0.01 -0.33 -0.00 0.00 0.00 177.43 177.07 1x49 h GLU 84 N 0.17 0.00 -0.19 6.67 4.39 0.26 -2.44 114.58 123.43 1x49 h GLU 84 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x49 h GLU 84 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1x49 h GLU 84 CO 0.08 0.01 0.11 -0.91 -1.16 0.00 0.00 179.01 177.14 1x49 h ASN 85 N 0.00 0.22 -3.30 1.42 4.21 -1.04 -3.40 115.58 113.69 1x49 h ASN 85 Ca -0.00 -0.05 -0.60 0.00 1.21 0.00 0.00 56.30 56.87 1x49 h ASN 85 Cb 0.06 -0.06 -0.09 0.00 -1.12 0.00 0.00 38.32 37.11 1x49 h ASN 85 CO 0.00 0.20 0.44 -0.75 -1.29 0.00 0.00 177.43 176.04 1x49 s LYS 86 N -6.01 4.18 0.42 0.81 2.20 -0.92 -5.04 119.74 115.38 1x49 s LYS 86 Ca -0.13 0.91 -0.22 0.00 -0.36 0.00 0.00 55.97 56.17 1x49 s LYS 86 Cb 0.08 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1x49 s LYS 86 CO 0.69 -0.51 0.97 0.54 -0.36 0.00 0.00 175.35 176.69 1x49 s VAL 87 N 2.80 4.24 0.03 4.02 0.11 -1.26 -4.99 120.40 125.35 1x49 s VAL 87 Ca 0.34 1.48 -0.10 0.00 -2.93 0.00 0.00 61.98 60.78 1x49 s VAL 87 Cb -0.15 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1x49 s VAL 87 CO 0.07 -0.22 0.19 -0.62 -3.33 0.00 0.00 175.10 171.20 1x49 s ASP 88 N -2.03 0.01 -0.57 3.54 -1.08 -1.26 -5.05 116.67 110.24 1x49 s ASP 88 Ca 0.61 -0.30 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 1x49 s ASP 88 Cb -0.12 0.28 0.36 0.00 -1.46 0.00 0.00 42.92 41.97 1x49 s ASP 88 CO 0.17 -0.51 2.06 0.00 0.52 0.00 0.00 175.17 177.40 1x49 h HIS 90 N 1.93 0.54 -2.87 0.00 6.17 -2.03 -3.44 115.15 115.46 1x49 h HIS 90 Ca 0.51 -0.39 -0.57 0.00 0.71 0.00 0.00 60.37 60.62 1x49 h HIS 90 Cb 0.79 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.67 1x49 h HIS 90 CO 1.24 1.35 1.08 0.95 0.71 0.00 0.00 177.93 183.25 1x49 s THR 91 N -2.44 3.83 0.10 6.26 -4.23 -1.26 -4.98 115.64 112.92 1x49 s THR 91 Ca -0.14 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1x49 s THR 91 Cb 0.01 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.96 1x49 s THR 91 CO 0.83 -0.33 1.10 -0.44 -0.54 0.00 0.00 174.62 175.23 1x49 s SER 92 N 3.75 7.24 0.00 3.99 0.01 -1.26 -4.94 113.70 122.50 1x49 s SER 92 Ca 0.67 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1x49 s SER 92 Cb -0.23 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1x49 s SER 92 CO 0.27 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1x49 n GLY 93 N 2.63 -1.71 0.16 3.44 0.00 -1.26 -5.04 105.19 103.42 1x49 n GLY 93 Ca 0.05 0.88 0.01 0.00 0.00 0.00 0.00 46.02 46.96 1x49 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 h PRO 94 N 0.00 0.00 -4.48 1.61 0.13 -2.02 -3.41 132.00 123.83 1x49 h PRO 94 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1x49 h PRO 94 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1x49 h PRO 94 CO 0.00 0.48 -0.42 0.45 -0.23 0.00 0.00 178.00 178.28 1x49 s SER 95 N -6.88 6.09 -0.47 1.44 0.15 -1.26 -5.01 113.70 107.77 1x49 s SER 95 Ca -0.02 -0.97 -0.42 0.00 0.70 0.00 0.00 55.95 55.24 1x49 s SER 95 Cb 0.14 -2.15 -0.17 0.00 -1.71 0.00 0.00 66.02 62.12 1x49 s SER 95 CO 0.74 -0.48 2.16 -1.54 1.20 0.00 0.00 173.24 175.32 1x49 n SER 96 N 5.15 1.08 0.00 5.45 3.41 -1.26 -5.24 113.62 122.21 1x49 n SER 96 Ca -0.11 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1x49 n SER 96 Cb 0.46 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1x49 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49