#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 3.14 0.62 1.61 0.01 -1.26 -5.14 113.70 112.67 1x49 s SER 2 Ca 0.00 -1.00 -0.12 0.00 1.31 0.00 0.00 55.95 56.14 1x49 s SER 2 Cb 0.00 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1x49 s SER 2 CO 0.00 -0.03 1.03 -0.55 0.41 0.00 0.00 173.24 174.10 1x49 s SER 3 N -3.30 6.10 0.00 2.44 0.15 -1.26 -4.63 113.70 113.20 1x49 s SER 3 Ca 0.25 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1x49 s SER 3 Cb -0.04 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1x49 s SER 3 CO 0.11 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1x49 n GLY 4 N -2.31 0.65 3.68 9.45 0.00 -1.26 -5.04 105.19 110.36 1x49 n GLY 4 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 1x49 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x49 n SER 5 N 0.00 3.39 -4.32 1.61 2.88 -1.26 -4.94 113.62 110.97 1x49 n SER 5 Ca 0.00 1.04 -0.43 0.00 -1.33 0.00 0.00 58.87 58.15 1x49 n SER 5 Cb 0.00 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 61.94 1x49 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x49 s SER 6 N 2.02 5.95 -0.43 -3.46 1.04 -1.26 -4.88 113.70 112.68 1x49 s SER 6 Ca 0.83 -1.52 0.07 0.00 0.48 0.00 0.00 55.95 55.81 1x49 s SER 6 Cb -0.64 -2.11 0.35 0.00 0.10 0.00 0.00 66.02 63.72 1x49 s SER 6 CO 0.41 -0.65 1.23 0.61 0.98 0.00 0.00 173.24 175.82 1x49 n GLY 7 N 5.09 0.85 3.13 7.32 0.00 -1.26 -4.96 105.19 115.36 1x49 n GLY 7 Ca -0.11 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1x49 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x49 s MET 8 N 0.23 0.81 0.46 1.61 0.00 -1.26 -5.04 119.30 116.12 1x49 s MET 8 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 55.69 55.11 1x49 s MET 8 Cb 0.33 -0.79 -0.00 0.00 0.00 0.00 0.00 34.83 34.38 1x49 s MET 8 CO -0.07 0.18 0.01 0.00 0.00 0.00 0.00 175.02 175.14 1x49 n ALA 9 N 1.69 0.41 -0.07 3.16 0.00 -1.26 -4.98 120.51 119.46 1x49 n ALA 9 Ca -0.19 -2.10 -0.03 0.00 0.00 0.00 0.00 53.44 51.12 1x49 n ALA 9 Cb 0.55 1.16 -0.16 0.00 0.00 0.00 0.00 19.45 21.00 1x49 n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x49 n SER 10 N -1.30 0.06 0.05 0.00 2.88 -1.26 -4.81 113.62 109.24 1x49 n SER 10 Ca -0.19 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1x49 n SER 10 Cb 0.59 1.23 0.00 0.00 -0.75 0.00 0.00 64.21 65.28 1x49 n SER 10 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x49 n ASP 11 N -2.62 1.01 -3.76 -3.46 8.00 -1.26 -5.10 116.55 109.37 1x49 n ASP 11 Ca -0.23 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 1x49 n ASP 11 Cb 0.97 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.66 1x49 n ASP 11 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x49 s THR 12 N -1.96 -0.01 -1.98 -3.53 2.01 -1.26 -5.02 115.64 103.89 1x49 s THR 12 Ca 0.00 0.03 0.16 0.00 0.31 0.00 0.00 61.69 62.19 1x49 s THR 12 Cb 0.00 -0.43 0.44 0.00 0.01 0.00 0.00 72.50 72.52 1x49 s THR 12 CO 0.00 0.01 1.35 -0.81 -0.69 0.00 0.00 174.62 174.48 1x49 n PRO 13 N 3.27 0.48 0.00 4.92 -0.04 -1.26 -4.35 135.00 138.02 1x49 n PRO 13 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x49 n PRO 13 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1x49 n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x49 n GLY 14 N -0.02 -1.80 0.03 0.55 0.00 -1.26 -4.91 105.19 97.78 1x49 n GLY 14 Ca 0.12 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 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 0.00 -0.07 -0.43 1.61 3.57 -1.95 -3.05 116.94 116.61 1x49 h PHE 15 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1x49 h PHE 15 Cb 0.00 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1x49 h PHE 15 CO 0.00 -0.04 0.09 1.88 -2.23 0.00 0.00 178.31 178.01 1x49 h TYR 16 N -0.15 0.15 -0.94 0.41 0.05 -1.96 -1.50 116.97 113.03 1x49 h TYR 16 Ca -0.01 0.03 0.26 0.00 0.05 0.00 0.00 58.73 59.06 1x49 h TYR 16 Cb 0.06 -0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.66 1x49 h TYR 16 CO 0.08 0.02 0.42 0.52 -1.05 0.00 0.00 178.16 178.14 1x49 h MET 17 N 0.22 0.32 -0.18 4.88 2.86 -1.84 0.84 114.93 122.03 1x49 h MET 17 Ca 0.21 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1x49 h MET 17 Cb 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1x49 h MET 17 CO -0.27 0.21 -0.21 -0.44 1.06 0.00 0.00 176.91 177.26 1x49 h ASP 18 N 0.33 0.30 0.44 1.22 5.19 -1.16 -2.55 116.42 120.19 1x49 h ASP 18 Ca 0.62 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.82 1x49 h ASP 18 Cb 1.30 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1x49 h ASP 18 CO -0.59 0.53 -0.58 0.11 -3.12 0.00 0.00 179.24 175.58 1x49 h LYS 19 N 0.29 0.14 0.62 3.56 1.57 0.86 -3.10 116.57 120.51 1x49 h LYS 19 Ca 0.05 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1x49 h LYS 19 Cb 0.53 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1x49 h LYS 19 CO 0.04 0.68 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.23 1x49 h LEU 20 N 0.11 -0.71 -0.58 2.94 3.38 -0.75 -2.92 115.31 116.78 1x49 h LEU 20 Ca -0.00 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1x49 h LEU 20 Cb 1.06 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 1x49 h LEU 20 CO 0.08 -0.40 -0.05 0.78 0.09 0.00 0.00 178.44 178.94 1x49 h ASN 21 N -1.00 -0.36 -0.05 -0.43 4.21 -1.59 0.66 115.58 117.03 1x49 h ASN 21 Ca -0.09 0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1x49 h ASN 21 Cb 0.69 0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1x49 h ASN 21 CO 0.14 -0.14 0.24 0.11 -1.29 0.00 0.00 177.43 176.50 1x49 h LYS 22 N 0.07 0.00 0.00 0.81 1.57 -1.50 0.14 116.57 117.67 1x49 h LYS 22 Ca 0.29 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.76 1x49 h LYS 22 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 1x49 h LYS 22 CO -0.53 0.00 -2.02 0.98 -0.57 0.00 0.00 179.45 177.31 1x49 n TYR 23 N -3.10 0.51 0.10 -1.35 4.19 0.21 -3.19 117.16 114.53 1x49 n TYR 23 Ca -0.01 0.18 -0.05 0.00 3.31 0.00 0.00 57.90 61.34 1x49 n TYR 23 Cb 0.31 -1.08 0.04 0.00 0.49 0.00 0.00 39.34 39.10 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 0.00 0.04 0.00 2.98 0.11 0.16 -1.32 114.38 116.35 1x49 h ARG 24 Ca -0.40 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1x49 h ARG 24 Cb 2.09 0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.18 1x49 h ARG 24 CO 0.05 0.81 -0.81 -0.56 0.10 0.00 0.00 179.97 179.56 1x49 h GLN 25 N 0.02 0.00 0.00 0.08 3.07 -1.10 -1.11 115.11 116.08 1x49 h GLN 25 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1x49 h GLN 25 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.93 1x49 h GLN 25 CO 0.11 0.00 -0.87 1.98 0.09 0.00 0.00 178.83 180.14 1x49 h MET 26 N 0.00 0.00 0.00 0.06 4.05 -1.51 -3.38 114.93 114.15 1x49 h MET 26 Ca 0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.20 1x49 h MET 26 Cb 0.91 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 1x49 h MET 26 CO 0.00 0.86 -1.05 0.45 0.23 0.00 0.00 176.91 177.40 1x49 h HIS 27 N -1.00 0.00 -0.71 1.39 3.86 -1.41 -3.49 115.15 113.79 1x49 h HIS 27 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1x49 h HIS 27 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1x49 h HIS 27 CO 0.10 0.99 0.00 0.41 0.86 0.00 0.00 177.93 180.30 1x49 n GLY 28 N 1.36 0.63 3.73 2.45 0.00 -0.77 -5.07 105.19 107.52 1x49 n GLY 28 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.74 -0.33 1.61 -7.23 -0.49 -5.03 120.40 109.67 1x49 s VAL 29 Ca 0.00 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1x49 s VAL 29 Cb 0.00 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 34.01 1x49 s VAL 29 CO 0.00 -0.12 0.09 0.00 -0.31 0.00 0.00 175.10 174.76 1x49 s ALA 30 N -2.49 3.03 -0.15 1.32 0.00 -1.26 -4.69 121.76 117.52 1x49 s ALA 30 Ca 0.39 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1x49 s ALA 30 Cb -0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1x49 s ALA 30 CO 0.23 -1.26 0.20 0.42 0.00 0.00 0.00 175.76 175.34 1x49 s ILE 31 N 1.41 5.38 -0.02 0.00 1.01 -1.25 -3.36 121.20 124.36 1x49 s ILE 31 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1x49 s ILE 31 Cb -0.19 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1x49 s ILE 31 CO 0.02 0.49 -0.10 -0.89 0.00 0.00 0.00 174.94 174.46 1x49 s THR 32 N -0.12 0.85 -0.44 2.92 2.01 -0.38 -4.93 115.64 115.56 1x49 s THR 32 Ca 0.14 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 1x49 s THR 32 Cb -0.12 -0.74 0.09 0.00 0.01 0.00 0.00 72.50 71.74 1x49 s THR 32 CO 0.03 0.25 0.29 -0.31 -0.69 0.00 0.00 174.62 174.19 1x49 s TYR 33 N 0.00 3.34 -0.10 4.92 1.51 -1.26 0.23 117.35 125.99 1x49 s TYR 33 Ca -0.00 -1.53 -0.24 0.00 -1.01 0.00 0.00 57.07 54.28 1x49 s TYR 33 Cb -0.07 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.65 1x49 s TYR 33 CO 0.00 -0.88 0.76 0.21 -1.11 0.00 0.00 175.55 174.54 1x49 s LYS 34 N 1.44 4.39 -0.04 -0.62 2.20 -0.10 -4.94 119.74 122.05 1x49 s LYS 34 Ca 0.04 0.95 -0.27 0.00 -0.36 0.00 0.00 55.97 56.33 1x49 s LYS 34 Cb -0.24 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1x49 s LYS 34 CO 0.02 -0.09 0.86 -2.00 -0.36 0.00 0.00 175.35 173.77 1x49 s GLU 35 N 1.33 4.49 0.40 4.03 -6.30 -1.26 -2.58 118.70 118.81 1x49 s GLU 35 Ca 0.38 1.17 0.08 0.00 -2.50 0.00 0.00 54.97 54.10 1x49 s GLU 35 Cb -0.17 -3.47 -0.02 0.00 0.00 0.00 0.00 34.13 30.47 1x49 s GLU 35 CO 0.17 -0.03 0.37 -0.51 0.02 0.00 0.00 175.26 175.28 1x49 s LEU 36 N 1.04 3.44 0.00 2.70 1.43 -0.83 -5.02 118.68 121.44 1x49 s LEU 36 Ca 0.45 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1x49 s LEU 36 Cb -0.19 -2.12 0.23 0.00 0.03 0.00 0.00 46.19 44.15 1x49 s LEU 36 CO 0.22 -0.61 0.59 -1.54 0.23 0.00 0.00 176.35 175.24 1x49 n SER 37 N -1.54 -3.05 -4.28 2.29 3.41 -1.26 -4.41 113.62 104.77 1x49 n SER 37 Ca 0.03 -0.64 -0.32 0.00 -0.26 0.00 0.00 58.87 57.68 1x49 n SER 37 Cb 0.61 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 1x49 n SER 37 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x49 s THR 38 N -1.82 2.36 0.26 6.66 2.01 -1.26 -3.07 115.64 120.78 1x49 s THR 38 Ca 0.43 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.58 1x49 s THR 38 Cb -0.07 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1x49 s THR 38 CO 0.36 0.56 -0.09 -0.94 -0.69 0.00 0.00 174.62 173.81 1x49 s SER 39 N 0.14 2.83 0.00 3.53 1.04 -0.82 -4.95 113.70 115.47 1x49 s SER 39 Ca -0.11 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1x49 s SER 39 Cb -0.16 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1x49 s SER 39 CO 0.06 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x49 n GLY 40 N -0.54 0.07 3.67 7.32 0.00 -1.26 -1.72 105.19 112.73 1x49 n GLY 40 Ca -0.06 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.27 0.30 0.08 1.61 0.04 -1.15 -4.95 135.00 130.66 1x49 s PRO 41 Ca 0.00 0.48 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 1x49 s PRO 41 Cb 0.00 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 1x49 s PRO 41 CO 0.00 -2.81 1.39 -1.00 0.04 0.00 0.00 177.00 174.62 1x49 h PRO 42 N -1.95 0.57 -0.05 0.56 0.13 -2.03 -3.29 132.00 125.94 1x49 h PRO 42 Ca -0.55 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.27 1x49 h PRO 42 Cb 1.33 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x49 h PRO 42 CO 0.58 0.89 0.01 1.12 -0.23 0.00 0.00 178.00 180.37 1x49 h HIS 43 N 0.27 0.09 -3.59 1.56 2.07 -2.04 -3.40 115.15 110.12 1x49 h HIS 43 Ca 0.04 -0.01 -0.67 0.00 -2.85 0.00 0.00 60.37 56.87 1x49 h HIS 43 Cb 0.78 -0.03 -0.27 0.00 2.57 0.00 0.00 27.41 30.47 1x49 h HIS 43 CO 0.08 0.30 -0.64 0.34 -3.07 0.00 0.00 177.93 174.94 1x49 s ASP 44 N -5.52 5.02 -0.24 3.10 2.15 -1.24 -5.08 116.67 114.86 1x49 s ASP 44 Ca -0.14 -0.70 -0.09 0.00 0.43 0.00 0.00 52.55 52.05 1x49 s ASP 44 Cb 0.05 -1.86 -0.04 0.00 -0.30 0.00 0.00 42.92 40.77 1x49 s ASP 44 CO 0.68 -0.17 0.12 -0.13 -0.17 0.00 0.00 175.17 175.50 1x49 s ARG 45 N 1.49 3.92 -0.33 4.34 1.81 -1.26 -2.92 118.95 126.00 1x49 s ARG 45 Ca 0.03 -0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 53.58 1x49 s ARG 45 Cb -0.17 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 30.88 1x49 s ARG 45 CO 0.02 -0.01 0.19 1.03 -0.68 0.00 0.00 175.30 175.85 1x49 s ARG 46 N 1.20 3.31 -0.15 3.54 1.81 -0.70 -4.76 118.95 123.19 1x49 s ARG 46 Ca 0.06 -0.75 -0.21 0.00 -1.72 0.00 0.00 55.73 53.11 1x49 s ARG 46 Cb -0.14 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.66 1x49 s ARG 46 CO 0.05 -0.47 0.62 -0.06 -0.68 0.00 0.00 175.30 174.76 1x49 s PHE 47 N 1.64 3.44 0.05 -0.53 0.08 -1.06 -1.93 117.98 119.68 1x49 s PHE 47 Ca 0.05 1.00 -0.06 0.00 0.12 0.00 0.00 56.93 58.03 1x49 s PHE 47 Cb -0.17 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1x49 s PHE 47 CO 0.08 -0.06 0.31 0.99 -0.10 0.00 0.00 175.22 176.44 1x49 s THR 48 N 1.46 5.24 0.19 0.64 2.01 -1.17 -2.36 115.64 121.64 1x49 s THR 48 Ca 0.30 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 1x49 s THR 48 Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1x49 s THR 48 CO 0.12 0.26 0.22 -0.36 -0.69 0.00 0.00 174.62 174.17 1x49 s PHE 49 N -1.41 0.79 -0.06 4.92 0.40 -0.33 -1.96 117.98 120.33 1x49 s PHE 49 Ca 0.32 -1.10 -0.25 0.00 -0.60 0.00 0.00 56.93 55.30 1x49 s PHE 49 Cb -0.13 -0.29 0.06 0.00 0.51 0.00 0.00 43.02 43.16 1x49 s PHE 49 CO 0.19 -0.71 0.57 1.14 0.70 0.00 0.00 175.22 177.11 1x49 s GLN 50 N -4.07 0.91 0.16 0.44 -2.07 -1.07 -0.27 119.66 113.70 1x49 s GLN 50 Ca 0.29 0.19 0.06 0.00 -1.82 0.00 0.00 55.36 54.08 1x49 s GLN 50 Cb 0.05 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 1x49 s GLN 50 CO 0.07 -0.26 0.07 0.08 -1.32 0.00 0.00 175.29 173.93 1x49 s VAL 51 N -1.07 4.11 -0.20 3.63 1.01 -1.26 -0.93 120.40 125.69 1x49 s VAL 51 Ca -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1x49 s VAL 51 Cb -0.02 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.34 1x49 s VAL 51 CO 0.07 -0.10 -0.00 -0.76 0.00 0.00 0.00 175.10 174.32 1x49 s LEU 52 N -2.98 1.63 -0.13 3.92 1.02 0.14 -2.68 118.68 119.60 1x49 s LEU 52 Ca 0.29 -0.90 -0.00 0.00 0.02 0.00 0.00 54.13 53.54 1x49 s LEU 52 Cb -0.10 -0.80 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 1x49 s LEU 52 CO 0.21 -0.27 -0.12 -0.63 0.02 0.00 0.00 176.35 175.56 1x49 s ILE 53 N 1.70 3.15 -1.48 -0.59 1.01 -1.13 -1.25 121.20 122.62 1x49 s ILE 53 Ca -0.02 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1x49 s ILE 53 Cb -0.17 -2.32 0.06 0.00 0.01 0.00 0.00 42.46 40.03 1x49 s ILE 53 CO -0.07 0.53 0.96 -0.67 0.00 0.00 0.00 174.94 175.69 1x49 n ASP 54 N 3.42 -5.22 -2.17 3.58 -0.08 -1.21 -0.74 116.55 114.12 1x49 n ASP 54 Ca -0.18 -0.65 -0.17 0.00 -1.51 0.00 0.00 54.79 52.27 1x49 n ASP 54 Cb 0.53 -4.16 0.01 0.00 2.34 0.00 0.00 41.12 39.83 1x49 n ASP 54 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x49 n GLU 55 N -4.64 -2.62 -4.61 -0.67 1.02 -1.26 -5.00 120.64 102.86 1x49 n GLU 55 Ca 0.02 0.77 -0.34 0.00 -0.02 0.00 0.00 57.16 57.59 1x49 n GLU 55 Cb 0.54 -5.22 -0.12 0.00 -0.02 0.00 0.00 31.44 26.62 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x49 s LYS 56 N -5.14 3.13 -0.48 3.49 2.20 0.08 -5.08 119.74 117.94 1x49 s LYS 56 Ca 0.12 -0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 1x49 s LYS 56 Cb -0.05 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 1x49 s LYS 56 CO 0.15 0.45 0.75 -1.21 -0.36 0.00 0.00 175.35 175.12 1x49 s GLU 57 N -0.23 3.30 0.45 4.03 2.02 -1.26 -2.82 118.70 124.20 1x49 s GLU 57 Ca 0.03 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.61 1x49 s GLU 57 Cb -0.13 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 1x49 s GLU 57 CO 0.03 -1.18 0.76 -0.06 0.02 0.00 0.00 175.26 174.83 1x49 s PHE 58 N 3.17 3.54 -0.45 1.61 0.40 -1.09 -5.00 117.98 120.15 1x49 s PHE 58 Ca 0.25 0.81 -0.28 0.00 -0.60 0.00 0.00 56.93 57.11 1x49 s PHE 58 Cb -0.14 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 1x49 s PHE 58 CO 0.19 -0.20 1.76 -1.25 0.70 0.00 0.00 175.22 176.42 1x49 s PRO 59 N -4.52 3.10 1.00 0.24 0.04 -1.26 -4.65 135.00 128.94 1x49 s PRO 59 Ca 0.47 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1x49 s PRO 59 Cb -0.10 -4.25 0.09 0.00 0.04 0.00 0.00 34.50 30.28 1x49 s PRO 59 CO 0.42 -2.15 -0.04 -0.85 0.04 0.00 0.00 177.00 174.41 1x49 n GLU 60 N 8.67 -1.64 -3.64 4.56 0.00 -1.26 -4.89 120.64 122.45 1x49 n GLU 60 Ca 0.21 -0.48 -0.10 0.00 0.00 0.00 0.00 57.16 56.79 1x49 n GLU 60 Cb 0.49 -1.43 -0.04 0.00 0.00 0.00 0.00 31.44 30.45 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 -2.10 -0.96 0.20 -1.84 0.00 0.63 -4.90 121.76 112.79 1x49 s ALA 61 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1x49 s ALA 61 Cb -0.05 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1x49 s ALA 61 CO 0.44 -0.67 0.34 0.15 0.00 0.00 0.00 175.76 176.02 1x49 s LYS 62 N -3.81 3.46 -0.28 0.00 1.02 -1.26 -1.19 119.74 117.68 1x49 s LYS 62 Ca 0.04 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 1x49 s LYS 62 Cb 0.01 -2.90 0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1x49 s LYS 62 CO -0.11 0.45 0.85 0.20 -0.92 0.00 0.00 175.35 175.82 1x49 s GLY 63 N -3.50 -0.36 0.13 -3.33 0.00 -0.99 -4.65 107.32 94.61 1x49 s GLY 63 Ca 0.35 2.43 -0.25 0.00 0.00 0.00 0.00 44.72 47.26 1x49 s GLY 63 CO 0.29 1.95 1.27 -2.13 0.00 0.00 0.00 173.10 174.48 1x49 n ARG 64 N 2.83 -0.35 -4.45 2.90 0.63 -1.26 -2.55 116.66 114.41 1x49 n ARG 64 Ca -0.15 1.25 -0.25 0.00 -0.92 0.00 0.00 57.85 57.78 1x49 n ARG 64 Cb 0.56 -1.83 -0.11 0.00 0.45 0.00 0.00 32.46 31.53 1x49 n ARG 64 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1x49 s SER 65 N -5.29 3.56 0.25 6.15 0.01 -1.26 -4.24 113.70 112.87 1x49 s SER 65 Ca -0.10 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 1x49 s SER 65 Cb 0.09 -0.30 0.35 0.00 0.21 0.00 0.00 66.02 66.37 1x49 s SER 65 CO 0.49 0.07 1.50 0.29 0.41 0.00 0.00 173.24 175.99 1x49 n LYS 66 N -0.34 -0.15 -0.02 12.44 4.01 -1.26 0.31 118.16 133.15 1x49 n LYS 66 Ca -0.07 1.49 -0.10 0.00 -0.51 0.00 0.00 58.31 59.11 1x49 n LYS 66 Cb 0.59 -2.22 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 1x49 n LYS 66 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1x49 h GLN 67 N 0.00 0.15 -0.34 1.97 1.08 -1.94 -0.27 115.11 115.76 1x49 h GLN 67 Ca 0.41 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.61 1x49 h GLN 67 Cb 0.65 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1x49 h GLN 67 CO -0.97 0.10 0.22 1.49 -0.95 0.00 0.00 178.83 178.72 1x49 h GLU 68 N 0.15 0.39 -0.13 1.46 4.57 -0.48 -2.31 114.58 118.23 1x49 h GLU 68 Ca 0.05 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 1x49 h GLU 68 Cb 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1x49 h GLU 68 CO -0.03 0.26 -0.42 0.00 -1.18 0.00 0.00 179.01 177.64 1x49 h ALA 69 N 1.80 0.23 -0.68 2.92 0.00 0.31 -2.92 119.26 120.91 1x49 h ALA 69 Ca 0.13 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1x49 h ALA 69 Cb 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1x49 h ALA 69 CO -0.03 0.35 0.31 0.00 0.00 0.00 0.00 179.25 179.88 1x49 h ARG 70 N 0.13 0.52 -0.13 0.00 3.08 -0.52 -0.01 114.38 117.45 1x49 h ARG 70 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1x49 h ARG 70 Cb 1.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1x49 h ARG 70 CO 0.09 0.34 0.06 -0.97 -1.07 0.00 0.00 179.97 178.42 1x49 h ASN 71 N 0.53 0.16 -0.12 7.04 -1.24 -1.51 -2.03 115.58 118.42 1x49 h ASN 71 Ca 0.34 -0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.25 1x49 h ASN 71 Cb 0.39 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1x49 h ASN 71 CO -0.29 0.24 -0.04 0.00 -1.29 0.00 0.00 177.43 176.06 1x49 h ALA 72 N 0.93 0.07 -0.93 1.57 0.00 -1.19 -1.09 119.26 118.62 1x49 h ALA 72 Ca 0.04 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1x49 h ALA 72 Cb 0.12 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1x49 h ALA 72 CO -0.01 -0.49 0.60 0.00 0.00 0.00 0.00 179.25 179.35 1x49 h ALA 73 N 1.11 1.59 0.00 0.00 0.00 -0.93 -0.15 119.26 120.88 1x49 h ALA 73 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1x49 h ALA 73 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1x49 h ALA 73 CO -0.13 0.21 -0.48 0.00 0.00 0.00 0.00 179.25 178.84 1x49 h ALA 74 N 1.54 1.17 -0.28 0.00 0.00 -0.70 -3.11 119.26 117.89 1x49 h ALA 74 Ca 0.44 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1x49 h ALA 74 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1x49 h ALA 74 CO -0.20 0.60 0.04 -0.22 0.00 0.00 0.00 179.25 179.47 1x49 h LYS 75 N 0.00 0.13 -0.46 0.00 3.64 0.24 0.27 116.57 120.39 1x49 h LYS 75 Ca -0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1x49 h LYS 75 Cb 0.87 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1x49 h LYS 75 CO 0.06 0.09 0.04 -0.07 -2.27 0.00 0.00 179.45 177.31 1x49 h LEU 76 N 0.14 0.70 0.42 5.20 3.38 -1.50 -1.97 115.31 121.67 1x49 h LEU 76 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1x49 h LEU 76 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x49 h LEU 76 CO -0.18 0.74 -0.20 0.00 0.09 0.00 0.00 178.44 178.88 1x49 h ALA 77 N 1.35 -0.71 -0.95 1.53 0.00 -1.30 -2.99 119.26 116.18 1x49 h ALA 77 Ca 0.15 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.17 1x49 h ALA 77 Cb 0.37 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 1x49 h ALA 77 CO 0.01 -0.67 0.50 0.28 0.00 0.00 0.00 179.25 179.36 1x49 h VAL 78 N -0.88 0.48 -0.59 0.00 2.07 -0.52 0.16 116.25 116.97 1x49 h VAL 78 Ca -0.06 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1x49 h VAL 78 Cb 0.43 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1x49 h VAL 78 CO 0.09 0.09 0.28 0.44 0.02 0.00 0.00 177.57 178.49 1x49 h ASP 79 N 0.47 0.36 0.57 0.57 3.32 -1.39 -2.57 116.42 117.74 1x49 h ASP 79 Ca 0.61 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.69 1x49 h ASP 79 Cb 1.19 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.74 1x49 h ASP 79 CO -0.51 0.23 -0.27 0.40 -1.72 0.00 0.00 179.24 177.36 1x49 h ILE 80 N 0.51 0.31 -0.90 0.35 2.04 -0.55 -3.24 117.51 116.02 1x49 h ILE 80 Ca 0.28 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.92 1x49 h ILE 80 Cb 0.26 0.41 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 1x49 h ILE 80 CO -0.23 0.04 -0.40 0.18 0.00 0.00 0.00 178.15 177.74 1x49 n LEU 81 N -5.33 -0.68 -0.27 1.44 4.77 -0.73 0.67 117.00 116.87 1x49 n LEU 81 Ca -0.11 1.58 0.15 0.00 -0.03 0.00 0.00 56.01 57.59 1x49 n LEU 81 Cb 0.34 -0.32 0.28 0.00 -2.33 0.00 0.00 43.42 41.39 1x49 n LEU 81 CO 0.31 -1.38 0.68 -0.67 -1.33 0.00 0.00 177.39 175.00 1x49 n ASP 82 N -5.27 -0.02 0.00 -1.43 2.03 -0.98 0.17 116.55 111.04 1x49 n ASP 82 Ca 0.07 1.36 -0.06 0.00 0.52 0.00 0.00 54.79 56.68 1x49 n ASP 82 Cb 0.33 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.08 1x49 n ASP 82 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1x49 h ASN 83 N 0.00 0.00 -5.17 1.67 4.21 0.12 -3.48 115.58 112.93 1x49 h ASN 83 Ca 0.53 0.00 -0.40 0.00 1.21 0.00 0.00 56.30 57.64 1x49 h ASN 83 Cb 1.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 1x49 h ASN 83 CO -0.73 0.89 -0.60 -0.62 -1.29 0.00 0.00 177.43 175.09 1x49 n GLU 84 N -3.04 -4.32 -3.91 0.81 1.02 0.44 -1.73 120.64 109.91 1x49 n GLU 84 Ca -0.13 0.66 -0.26 0.00 -0.02 0.00 0.00 57.16 57.41 1x49 n GLU 84 Cb 0.99 -5.46 -0.01 0.00 -0.02 0.00 0.00 31.44 26.94 1x49 n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x49 n ASN 85 N -2.45 -0.85 -3.11 1.62 3.02 -1.26 -4.96 115.26 107.27 1x49 n ASN 85 Ca -0.05 -1.00 -0.17 0.00 -0.03 0.00 0.00 54.58 53.33 1x49 n ASN 85 Cb 0.57 -3.14 0.13 0.00 -0.61 0.00 0.00 39.78 36.73 1x49 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x49 n LYS 86 N -4.38 -1.26 -0.11 3.52 4.76 -0.70 -4.95 118.16 115.04 1x49 n LYS 86 Ca -0.29 -1.14 0.09 0.00 -2.87 0.00 0.00 58.31 54.10 1x49 n LYS 86 Cb 0.68 -0.85 0.30 0.00 -1.84 0.00 0.00 35.03 33.32 1x49 n LYS 86 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1x49 n VAL 87 N -3.34 0.28 0.02 -0.18 0.24 -1.26 -3.87 118.33 110.22 1x49 n VAL 87 Ca 0.09 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 1x49 n VAL 87 Cb 0.34 0.28 -0.14 0.00 -1.47 0.00 0.00 33.84 32.85 1x49 n VAL 87 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1x49 h ASP 88 N 1.98 0.44 -3.68 -1.34 3.04 -1.94 -3.45 116.42 111.47 1x49 h ASP 88 Ca 0.00 -0.90 -0.64 0.00 -3.24 0.00 0.00 57.03 52.25 1x49 h ASP 88 Cb 0.44 -0.14 -0.18 0.00 -1.04 0.00 0.00 39.33 38.40 1x49 h ASP 88 CO 0.00 1.80 -0.56 0.00 -2.04 0.00 0.00 179.24 178.44 1x49 s HIS 90 N 1.40 3.19 -0.11 0.00 2.46 -1.26 -4.70 115.29 116.27 1x49 s HIS 90 Ca 0.06 -1.27 -0.29 0.00 0.47 0.00 0.00 55.06 54.03 1x49 s HIS 90 Cb -0.15 -2.23 0.07 0.00 -0.13 0.00 0.00 32.58 30.14 1x49 s HIS 90 CO 0.06 -0.67 0.69 0.95 -2.47 0.00 0.00 174.74 173.30 1x49 s THR 91 N 1.43 0.00 0.19 0.89 -4.23 -1.26 -5.14 115.64 107.52 1x49 s THR 91 Ca 0.00 -0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 1x49 s THR 91 Cb -0.18 -1.00 -0.14 0.00 1.34 0.00 0.00 72.50 72.52 1x49 s THR 91 CO 0.02 -0.00 1.48 -1.54 -0.54 0.00 0.00 174.62 174.04 1x49 n SER 92 N 1.37 2.82 -2.43 3.99 3.41 -1.26 -4.98 113.62 116.55 1x49 n SER 92 Ca -0.18 1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1x49 n SER 92 Cb 0.56 -1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1x49 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x49 n GLY 93 N 2.79 3.53 3.59 5.00 0.00 -1.26 -5.10 105.19 113.75 1x49 n GLY 93 Ca 0.15 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1x49 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x49 s PRO 94 N -2.76 3.19 0.30 1.61 0.04 -1.26 -4.98 135.00 131.13 1x49 s PRO 94 Ca 0.16 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.40 1x49 s PRO 94 Cb 0.01 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.27 1x49 s PRO 94 CO 0.12 -2.04 -0.08 -1.12 0.04 0.00 0.00 177.00 173.91 1x49 s SER 95 N 6.23 3.14 0.15 6.66 0.01 -1.26 -5.15 113.70 123.47 1x49 s SER 95 Ca 0.73 -1.18 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1x49 s SER 95 Cb -0.18 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1x49 s SER 95 CO 0.30 -0.27 0.29 -0.44 0.41 0.00 0.00 173.24 173.54 1x49 s SER 96 N -3.50 6.35 0.00 2.44 0.01 -1.26 -5.31 113.70 112.43 1x49 s SER 96 Ca 0.30 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1x49 s SER 96 Cb 0.03 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1x49 s SER 96 CO 0.13 0.05 0.16 0.61 0.41 0.00 0.00 173.24 174.60