#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx5 s ILE 2 N 0.00 2.07 -0.04 5.18 1.01 -1.26 -5.08 121.20 123.08 2bx5 s ILE 2 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.60 2bx5 s ILE 2 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2bx5 s ILE 2 CO 0.00 0.57 -0.02 -1.10 0.00 0.00 0.00 174.94 174.39 2bx5 s GLN 3 N -0.02 2.82 -0.24 2.79 -0.21 -1.26 -4.74 119.66 118.80 2bx5 s GLN 3 Ca -0.08 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.77 2bx5 s GLN 3 Cb -0.15 -2.68 0.06 0.00 1.00 0.00 0.00 33.01 31.24 2bx5 s GLN 3 CO 0.05 0.65 -0.08 -1.64 -2.12 0.00 0.00 175.29 172.16 2bx5 s MET 4 N -1.22 1.88 -0.46 2.91 -1.94 -1.26 -2.58 119.30 116.63 2bx5 s MET 4 Ca 0.16 -1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 52.85 2bx5 s MET 4 Cb -0.11 -2.69 0.04 0.00 2.01 0.00 0.00 34.83 34.08 2bx5 s MET 4 CO 0.06 -0.58 0.54 0.99 -0.01 0.00 0.00 175.02 176.03 2bx5 s THR 5 N 1.29 4.97 -0.04 2.05 2.01 -1.03 -4.41 115.64 120.49 2bx5 s THR 5 Ca -0.07 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2bx5 s THR 5 Cb -0.19 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2bx5 s THR 5 CO -0.06 -0.62 0.07 -1.58 -0.69 0.00 0.00 174.62 171.75 2bx5 s GLN 6 N 2.40 3.09 -0.03 4.92 0.74 -1.26 -2.60 119.66 126.93 2bx5 s GLN 6 Ca 0.14 -0.43 -0.09 0.00 0.05 0.00 0.00 55.36 55.03 2bx5 s GLN 6 Cb -0.18 -2.88 0.01 0.00 1.10 0.00 0.00 33.01 31.06 2bx5 s GLN 6 CO 0.13 0.68 0.21 -1.54 -0.55 0.00 0.00 175.29 174.21 2bx5 s SER 7 N -1.46 -0.10 0.73 6.67 1.04 -0.47 -4.70 113.70 115.40 2bx5 s SER 7 Ca 0.20 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 2bx5 s SER 7 Cb -0.12 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.40 2bx5 s SER 7 CO 0.10 -0.30 1.04 -2.16 0.98 0.00 0.00 173.24 172.89 2bx5 s PRO 8 N -0.93 1.90 -0.16 4.02 0.04 -1.26 -0.81 135.00 137.80 2bx5 s PRO 8 Ca -0.10 -0.48 -0.21 0.00 0.04 0.00 0.00 61.00 60.25 2bx5 s PRO 8 Cb -0.05 -2.18 -0.23 0.00 0.04 0.00 0.00 34.50 32.07 2bx5 s PRO 8 CO 0.02 -1.41 0.45 0.77 0.04 0.00 0.00 177.00 176.87 2bx5 h SER 9 N -0.68 0.14 -4.53 6.66 0.02 -1.84 -3.39 113.55 109.93 2bx5 h SER 9 Ca -0.43 -0.74 -0.36 0.00 -0.84 0.00 0.00 61.79 59.42 2bx5 h SER 9 Cb 1.29 -0.05 -0.21 0.00 0.14 0.00 0.00 62.40 63.58 2bx5 h SER 9 CO 0.53 1.44 -0.76 -0.94 -1.14 0.00 0.00 176.83 175.96 2bx5 s SER 10 N -6.79 1.44 -0.28 3.07 1.04 -1.26 0.10 113.70 111.02 2bx5 s SER 10 Ca -0.24 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 55.40 2bx5 s SER 10 Cb 0.04 -0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.23 2bx5 s SER 10 CO 0.68 -0.14 0.73 -0.22 0.98 0.00 0.00 173.24 175.27 2bx5 s LEU 11 N -1.82 -0.89 0.29 2.42 0.20 0.79 -4.90 118.68 114.76 2bx5 s LEU 11 Ca -0.03 1.41 0.10 0.00 0.69 0.00 0.00 54.13 56.31 2bx5 s LEU 11 Cb -0.09 2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 47.91 2bx5 s LEU 11 CO 0.01 -0.22 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.36 2bx5 s SER 12 N 1.67 4.19 -0.28 3.68 0.01 -1.26 -0.08 113.70 121.63 2bx5 s SER 12 Ca -0.10 -0.83 -0.26 0.00 1.31 0.00 0.00 55.95 56.07 2bx5 s SER 12 Cb -0.05 -0.62 0.17 0.00 0.21 0.00 0.00 66.02 65.73 2bx5 s SER 12 CO -0.19 -0.04 1.30 0.00 0.41 0.00 0.00 173.24 174.71 2bx5 s ALA 13 N -2.42 -2.13 0.51 1.44 0.00 -1.21 -4.97 121.76 112.98 2bx5 s ALA 13 Ca 0.32 1.75 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2bx5 s ALA 13 Cb -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2bx5 s ALA 13 CO 0.18 -0.17 0.00 -1.13 0.00 0.00 0.00 175.76 174.64 2bx5 n SER 14 N 1.44 0.00 -4.71 0.00 3.41 -1.26 -4.40 113.62 108.10 2bx5 n SER 14 Ca -0.09 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 2bx5 n SER 14 Cb 0.57 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 2bx5 n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bx5 s VAL 15 N 0.76 4.91 0.00 -3.33 1.01 -1.26 -3.05 120.40 119.44 2bx5 s VAL 15 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2bx5 s VAL 15 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2bx5 s VAL 15 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2bx5 n GLY 16 N 3.03 0.67 3.90 4.51 0.00 -0.34 -4.89 105.19 112.08 2bx5 n GLY 16 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2bx5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bx5 s ASP 17 N -2.85 4.98 -0.12 1.61 1.01 -1.17 -4.43 116.67 115.69 2bx5 s ASP 17 Ca 0.00 0.86 -0.06 0.00 0.71 0.00 0.00 52.55 54.07 2bx5 s ASP 17 Cb 0.00 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 2bx5 s ASP 17 CO 0.00 -1.59 0.09 -0.60 0.21 0.00 0.00 175.17 173.28 2bx5 s ARG 18 N -5.41 3.41 -0.17 8.23 3.52 -1.24 -0.87 118.95 126.43 2bx5 s ARG 18 Ca 0.60 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 2bx5 s ARG 18 Cb -0.11 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2bx5 s ARG 18 CO 0.49 0.67 -0.20 0.08 -0.81 0.00 0.00 175.30 175.53 2bx5 s VAL 19 N -0.73 2.16 -0.16 7.11 1.01 -0.83 -4.96 120.40 123.99 2bx5 s VAL 19 Ca 0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2bx5 s VAL 19 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2bx5 s VAL 19 CO 0.03 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.74 2bx5 s THR 20 N 1.10 3.88 -0.06 3.92 2.01 -1.26 -2.32 115.64 122.90 2bx5 s THR 20 Ca 0.00 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 2bx5 s THR 20 Cb -0.14 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.69 2bx5 s THR 20 CO -0.08 0.48 0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 2bx5 s ILE 21 N 0.47 0.19 0.17 1.82 1.01 -0.72 -4.65 121.20 119.49 2bx5 s ILE 21 Ca -0.03 0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.97 2bx5 s ILE 21 Cb -0.14 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2bx5 s ILE 21 CO 0.03 0.23 -0.25 0.42 0.00 0.00 0.00 174.94 175.36 2bx5 s THR 22 N 2.05 2.31 0.03 2.92 -4.23 0.01 -1.03 115.64 117.69 2bx5 s THR 22 Ca 0.05 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2bx5 s THR 22 Cb -0.12 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 2bx5 s THR 22 CO -0.04 -0.03 0.07 0.00 -0.54 0.00 0.00 174.62 174.08 2bx5 s ARG 24 N -2.21 0.54 -0.09 0.00 0.52 -1.07 -1.56 118.95 115.08 2bx5 s ARG 24 Ca -0.08 -0.91 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 2bx5 s ARG 24 Cb -0.04 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 2bx5 s ARG 24 CO -0.03 -0.11 -0.23 0.00 0.02 0.00 0.00 175.30 174.95 2bx5 s ALA 25 N -2.89 2.21 -0.41 2.13 0.00 -1.15 -2.45 121.76 119.19 2bx5 s ALA 25 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2bx5 s ALA 25 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2bx5 s ALA 25 CO -0.06 0.33 0.55 -1.13 0.00 0.00 0.00 175.76 175.45 2bx5 n SER 26 N 3.33 0.00 -3.59 0.00 3.41 -1.06 -4.38 113.62 111.32 2bx5 n SER 26 Ca -0.18 0.13 -0.02 0.00 -0.26 0.00 0.00 58.87 58.53 2bx5 n SER 26 Cb 0.53 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2bx5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2bx5 s GLN 27 N -2.10 0.44 -0.02 4.33 0.74 -1.26 -5.01 119.66 116.78 2bx5 s GLN 27 Ca 0.00 0.87 -0.36 0.00 0.05 0.00 0.00 55.36 55.92 2bx5 s GLN 27 Cb 0.00 0.26 -0.14 0.00 1.10 0.00 0.00 33.01 34.23 2bx5 s GLN 27 CO 0.00 -0.11 1.66 0.45 -0.55 0.00 0.00 175.29 176.74 2bx5 n SER 28 N 4.30 2.77 -1.71 6.67 2.88 -1.26 -4.87 113.62 122.40 2bx5 n SER 28 Ca -0.16 1.05 -0.18 0.00 -1.33 0.00 0.00 58.87 58.26 2bx5 n SER 28 Cb 0.56 -1.30 0.11 0.00 -0.75 0.00 0.00 64.21 62.82 2bx5 n SER 28 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2bx5 n ILE 29 N 4.03 2.74 0.00 2.46 -5.35 0.39 -5.00 119.36 118.63 2bx5 n ILE 29 Ca 0.21 -3.39 0.00 0.00 -0.27 0.00 0.00 62.75 59.30 2bx5 n ILE 29 Cb 0.24 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 2bx5 n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2bx5 n SER 30 N -0.93 0.00 -2.69 7.28 2.88 -1.26 0.18 113.62 119.08 2bx5 n SER 30 Ca 0.43 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.90 2bx5 n SER 30 Cb 0.93 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.42 2bx5 n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2bx5 n SER 31 N 10.44 1.80 -3.57 -3.46 3.41 -1.26 0.25 113.62 121.23 2bx5 n SER 31 Ca 0.00 -2.54 -0.41 0.00 -0.26 0.00 0.00 58.87 55.66 2bx5 n SER 31 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2bx5 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bx5 n TYR 32 N -0.31 2.65 -4.25 7.33 -0.00 0.13 -3.46 117.16 119.24 2bx5 n TYR 32 Ca 0.11 -2.75 -0.18 0.00 -0.00 0.00 0.00 57.90 55.08 2bx5 n TYR 32 Cb 0.81 -1.68 -0.11 0.00 -0.00 0.00 0.00 39.34 38.36 2bx5 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2bx5 s LEU 33 N -2.47 2.42 0.06 2.98 2.96 -1.26 -0.44 118.68 122.92 2bx5 s LEU 33 Ca 0.49 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2bx5 s LEU 33 Cb 0.17 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2bx5 s LEU 33 CO -0.09 -0.16 -0.06 0.20 -1.32 0.00 0.00 176.35 174.93 2bx5 s ASN 34 N -2.56 0.76 -0.14 3.68 0.01 0.19 -1.63 114.94 115.25 2bx5 s ASN 34 Ca 0.10 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 2bx5 s ASN 34 Cb -0.04 0.10 0.03 0.00 0.41 0.00 0.00 41.25 41.74 2bx5 s ASN 34 CO 0.03 -0.37 -0.10 0.26 -1.51 0.00 0.00 177.10 175.40 2bx5 s TRP 35 N -2.53 1.89 0.14 2.20 0.52 -1.19 -1.37 118.94 118.60 2bx5 s TRP 35 Ca -0.01 -1.07 0.09 0.00 0.02 0.00 0.00 56.10 55.13 2bx5 s TRP 35 Cb -0.02 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2bx5 s TRP 35 CO -0.03 -0.62 -0.18 0.71 0.02 0.00 0.00 176.95 176.85 2bx5 s TYR 36 N 1.58 2.51 -0.08 -1.98 1.51 0.44 0.04 117.35 121.37 2bx5 s TYR 36 Ca 0.04 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 2bx5 s TYR 36 Cb -0.13 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2bx5 s TYR 36 CO -0.09 0.42 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.46 2bx5 s GLN 37 N -2.33 2.21 -0.31 -0.62 0.74 0.73 -0.46 119.66 119.62 2bx5 s GLN 37 Ca 0.19 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 55.02 2bx5 s GLN 37 Cb -0.10 -1.75 0.10 0.00 1.10 0.00 0.00 33.01 32.36 2bx5 s GLN 37 CO 0.11 0.08 0.08 -1.14 -0.55 0.00 0.00 175.29 173.86 2bx5 s GLN 38 N 0.57 0.94 0.52 1.67 0.74 -0.94 0.12 119.66 123.28 2bx5 s GLN 38 Ca -0.16 -1.27 -0.19 0.00 0.05 0.00 0.00 55.36 53.79 2bx5 s GLN 38 Cb -0.17 -2.33 -0.07 0.00 1.10 0.00 0.00 33.01 31.54 2bx5 s GLN 38 CO 0.05 -0.96 1.04 -1.59 -0.55 0.00 0.00 175.29 173.28 2bx5 s LYS 39 N 1.42 3.69 0.34 1.67 -2.85 -1.26 -2.88 119.74 119.87 2bx5 s LYS 39 Ca 0.09 1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 56.05 2bx5 s LYS 39 Cb -0.18 -2.08 -0.11 0.00 -2.06 0.00 0.00 37.83 33.40 2bx5 s LYS 39 CO -0.20 -0.51 1.40 -2.14 0.10 0.00 0.00 175.35 173.99 2bx5 s PRO 40 N -3.55 4.24 0.00 1.78 0.02 -1.26 -2.19 135.00 134.05 2bx5 s PRO 40 Ca 0.65 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.05 2bx5 s PRO 40 Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2bx5 s PRO 40 CO 0.25 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 2bx5 n GLY 41 N 0.78 2.38 3.33 0.52 0.00 -1.26 -4.97 105.19 105.96 2bx5 n GLY 41 Ca 0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2bx5 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bx5 n LYS 42 N 0.00 -0.03 -1.33 1.61 4.76 -0.93 -4.96 118.16 117.29 2bx5 n LYS 42 Ca 0.00 0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 2bx5 n LYS 42 Cb 0.00 -1.61 0.22 0.00 -1.84 0.00 0.00 35.03 31.80 2bx5 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bx5 s ALA 43 N -2.14 1.10 -0.72 7.82 0.00 -1.26 -4.43 121.76 122.13 2bx5 s ALA 43 Ca 0.56 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 2bx5 s ALA 43 Cb -0.26 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2bx5 s ALA 43 CO 0.68 -3.19 1.81 -2.14 0.00 0.00 0.00 175.76 172.91 2bx5 s PRO 44 N -5.50 2.71 0.23 0.00 0.02 -1.26 -4.33 135.00 126.86 2bx5 s PRO 44 Ca 0.71 0.21 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 2bx5 s PRO 44 Cb -0.09 -4.59 -0.09 0.00 0.02 0.00 0.00 34.50 29.76 2bx5 s PRO 44 CO 0.55 -2.82 0.99 0.15 -0.33 0.00 0.00 177.00 175.54 2bx5 s LYS 45 N 6.81 4.77 0.09 5.54 1.02 0.33 -4.71 119.74 133.60 2bx5 s LYS 45 Ca 0.64 1.57 -0.13 0.00 0.02 0.00 0.00 55.97 58.06 2bx5 s LYS 45 Cb -0.10 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 2bx5 s LYS 45 CO 0.13 0.38 0.48 -1.17 -0.92 0.00 0.00 175.35 174.25 2bx5 s LEU 46 N -1.03 4.38 -0.05 3.17 2.96 -1.26 0.26 118.68 127.11 2bx5 s LEU 46 Ca 0.43 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2bx5 s LEU 46 Cb -0.27 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 2bx5 s LEU 46 CO 0.34 0.18 -0.06 0.18 -1.32 0.00 0.00 176.35 175.66 2bx5 n LEU 47 N 1.09 0.37 -4.34 -0.68 4.77 0.11 -4.84 117.00 113.47 2bx5 n LEU 47 Ca -0.08 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 2bx5 n LEU 47 Cb 0.52 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2bx5 n LEU 47 CO 0.41 0.08 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.37 2bx5 s ILE 48 N -2.09 2.03 0.03 -0.08 1.09 -1.08 -0.45 121.20 120.66 2bx5 s ILE 48 Ca -0.07 -1.58 0.08 0.00 -1.10 0.00 0.00 60.65 57.98 2bx5 s ILE 48 Cb 0.03 -1.80 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2bx5 s ILE 48 CO 0.08 0.11 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.52 2bx5 s TYR 49 N -1.01 2.49 -1.25 3.97 4.12 0.61 -3.15 117.35 123.13 2bx5 s TYR 49 Ca 0.11 -0.30 -0.08 0.00 0.02 0.00 0.00 57.07 56.81 2bx5 s TYR 49 Cb -0.10 -1.45 -0.01 0.00 -1.52 0.00 0.00 41.96 38.88 2bx5 s TYR 49 CO 0.04 0.20 0.68 0.00 0.02 0.00 0.00 175.55 176.49 2bx5 n ALA 50 N 1.69 -2.25 0.00 3.71 0.00 -0.64 -1.37 120.51 121.64 2bx5 n ALA 50 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2bx5 n ALA 50 Cb 0.52 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.07 2bx5 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx5 n ALA 51 N -4.21 0.00 0.00 0.00 0.00 -1.06 -3.99 120.51 111.25 2bx5 n ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2bx5 n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2bx5 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bx5 n SER 52 N 1.17 1.40 -4.64 0.00 3.41 -1.09 -2.29 113.62 111.59 2bx5 n SER 52 Ca 0.00 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.14 2bx5 n SER 52 Cb 0.00 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 2bx5 n SER 52 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bx5 s SER 53 N -0.67 6.72 0.84 4.04 0.15 -0.47 -4.57 113.70 119.73 2bx5 s SER 53 Ca 0.00 0.88 -0.12 0.00 0.70 0.00 0.00 55.95 57.42 2bx5 s SER 53 Cb 0.00 -2.39 0.10 0.00 -1.71 0.00 0.00 66.02 62.02 2bx5 s SER 53 CO 0.00 -0.44 1.10 -0.76 1.20 0.00 0.00 173.24 174.34 2bx5 s LEU 54 N 2.64 2.41 0.03 3.45 1.43 -1.26 0.23 118.68 127.60 2bx5 s LEU 54 Ca 0.31 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 2bx5 s LEU 54 Cb -0.15 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2bx5 s LEU 54 CO 0.08 -2.25 0.01 -1.10 0.23 0.00 0.00 176.35 173.32 2bx5 s GLN 55 N -5.11 2.74 0.58 1.70 -1.52 0.40 -4.66 119.66 113.80 2bx5 s GLN 55 Ca 0.62 -0.67 -0.18 0.00 -1.95 0.00 0.00 55.36 53.18 2bx5 s GLN 55 Cb -0.15 -2.65 -0.07 0.00 -0.22 0.00 0.00 33.01 29.91 2bx5 s GLN 55 CO 0.55 0.60 0.63 0.43 -0.25 0.00 0.00 175.29 177.24 2bx5 n SER 56 N 1.09 -0.63 0.00 5.90 7.64 -1.26 -1.16 113.62 125.20 2bx5 n SER 56 Ca -0.13 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2bx5 n SER 56 Cb 0.52 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2bx5 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bx5 n GLY 57 N 1.67 2.72 3.69 0.23 0.00 -1.26 -5.00 105.19 107.24 2bx5 n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2bx5 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bx5 s VAL 58 N -0.89 3.65 0.90 1.61 0.11 -0.31 -4.98 120.40 120.49 2bx5 s VAL 58 Ca 0.00 1.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.94 2bx5 s VAL 58 Cb 0.00 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2bx5 s VAL 58 CO 0.00 -0.01 0.57 -0.81 -3.33 0.00 0.00 175.10 171.51 2bx5 n PRO 59 N 5.56 -0.19 -0.04 1.54 -0.04 -1.26 -4.89 135.00 135.69 2bx5 n PRO 59 Ca 0.14 -0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 2bx5 n PRO 59 Cb 0.43 -1.95 0.47 0.00 -0.04 0.00 0.00 33.50 32.41 2bx5 n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bx5 n SER 60 N -1.63 0.87 -0.06 3.54 3.41 -1.26 -3.76 113.62 114.73 2bx5 n SER 60 Ca 0.08 -1.56 -0.09 0.00 -0.26 0.00 0.00 58.87 57.04 2bx5 n SER 60 Cb 0.53 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2bx5 n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2bx5 h ARG 61 N 1.17 0.73 -6.97 4.33 3.08 -1.93 -3.44 114.38 111.35 2bx5 h ARG 61 Ca 0.00 -0.35 -0.49 0.00 0.07 0.00 0.00 59.98 59.21 2bx5 h ARG 61 Cb 0.26 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.33 2bx5 h ARG 61 CO 0.00 0.97 0.43 -0.06 -1.07 0.00 0.00 179.97 180.23 2bx5 s PHE 62 N -4.38 3.18 0.16 3.04 0.40 -1.25 -2.11 117.98 117.02 2bx5 s PHE 62 Ca -0.09 1.62 -0.24 0.00 -0.60 0.00 0.00 56.93 57.62 2bx5 s PHE 62 Cb 0.12 -3.18 0.07 0.00 0.51 0.00 0.00 43.02 40.54 2bx5 s PHE 62 CO 0.84 -0.82 1.02 -1.54 0.70 0.00 0.00 175.22 175.42 2bx5 s SER 63 N -1.53 -0.08 0.03 1.36 1.04 -0.78 -4.99 113.70 108.76 2bx5 s SER 63 Ca 0.59 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 2bx5 s SER 63 Cb -0.23 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2bx5 s SER 63 CO 0.29 -0.91 -0.02 -0.83 0.98 0.00 0.00 173.24 172.76 2bx5 s GLY 64 N -3.17 0.34 -0.05 7.32 0.00 -1.22 -1.42 107.32 109.12 2bx5 s GLY 64 Ca 0.17 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.72 2bx5 s GLY 64 CO 0.03 -0.96 0.69 -1.35 0.00 0.00 0.00 173.10 171.51 2bx5 s SER 65 N -2.17 -0.65 0.00 1.64 1.04 -0.97 -4.05 113.70 108.54 2bx5 s SER 65 Ca -0.05 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2bx5 s SER 65 Cb -0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2bx5 s SER 65 CO -0.05 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2bx5 n GLY 66 N 0.87 3.59 3.04 7.32 0.00 -1.26 -1.32 105.19 117.43 2bx5 n GLY 66 Ca -0.19 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 2bx5 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bx5 s SER 67 N 0.00 0.69 0.00 1.61 0.15 -1.14 -4.82 113.70 110.19 2bx5 s SER 67 Ca 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2bx5 s SER 67 Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2bx5 s SER 67 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2bx5 n GLY 68 N 1.47 2.17 0.42 9.45 0.00 0.69 -4.00 105.19 115.39 2bx5 n GLY 68 Ca -0.23 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2bx5 n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bx5 n THR 69 N 0.00 0.00 -3.05 2.61 -1.04 -1.26 -0.47 114.28 111.08 2bx5 n THR 69 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2bx5 n THR 69 Cb 0.00 -0.85 -0.05 0.00 -1.82 0.00 0.00 70.33 67.61 2bx5 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2bx5 s ASP 70 N -4.36 6.98 0.02 8.00 -0.00 -1.26 -2.95 116.67 123.11 2bx5 s ASP 70 Ca 0.00 1.19 0.02 0.00 -0.00 0.00 0.00 52.55 53.75 2bx5 s ASP 70 Cb 0.00 -2.41 -0.01 0.00 -0.00 0.00 0.00 42.92 40.50 2bx5 s ASP 70 CO 0.00 -0.12 -0.06 -0.36 -0.00 0.00 0.00 175.17 174.64 2bx5 s PHE 71 N 0.80 0.49 -0.05 4.23 0.40 -0.60 -2.86 117.98 120.39 2bx5 s PHE 71 Ca 0.37 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 2bx5 s PHE 71 Cb -0.18 -0.31 0.03 0.00 0.51 0.00 0.00 43.02 43.07 2bx5 s PHE 71 CO 0.18 -0.05 0.01 0.99 0.70 0.00 0.00 175.22 177.05 2bx5 s THR 72 N -0.70 0.22 -0.25 0.64 2.01 -0.43 -2.15 115.64 114.97 2bx5 s THR 72 Ca -0.04 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 2bx5 s THR 72 Cb -0.06 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2bx5 s THR 72 CO -0.00 0.21 0.13 -0.22 -0.69 0.00 0.00 174.62 174.05 2bx5 s LEU 73 N 1.70 3.86 -0.17 4.42 2.96 -0.20 -2.83 118.68 128.42 2bx5 s LEU 73 Ca 0.00 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2bx5 s LEU 73 Cb -0.13 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2bx5 s LEU 73 CO -0.03 0.01 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.92 2bx5 s THR 74 N 1.38 2.00 -0.63 3.68 2.01 -0.51 -1.76 115.64 121.81 2bx5 s THR 74 Ca 0.06 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2bx5 s THR 74 Cb -0.15 -1.80 0.16 0.00 0.01 0.00 0.00 72.50 70.72 2bx5 s THR 74 CO 0.06 0.53 0.56 -0.63 -0.69 0.00 0.00 174.62 174.45 2bx5 s ILE 75 N 1.26 5.07 0.48 1.82 1.01 -0.98 -1.87 121.20 128.00 2bx5 s ILE 75 Ca 0.04 -1.97 0.20 0.00 0.00 0.00 0.00 60.65 58.91 2bx5 s ILE 75 Cb -0.13 -4.22 0.25 0.00 0.01 0.00 0.00 42.46 38.37 2bx5 s ILE 75 CO -0.11 -0.91 2.09 0.77 0.00 0.00 0.00 174.94 176.78 2bx5 h SER 76 N 8.32 0.00 -2.58 3.58 4.64 -1.65 -2.22 113.55 123.64 2bx5 h SER 76 Ca -0.13 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.75 2bx5 h SER 76 Cb 1.07 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.78 2bx5 h SER 76 CO 0.89 0.10 -0.71 -0.55 -0.87 0.00 0.00 176.83 175.68 2bx5 s SER 77 N -6.70 2.61 0.62 4.97 0.15 -1.12 -3.65 113.70 110.58 2bx5 s SER 77 Ca -0.04 -0.95 -0.16 0.00 0.70 0.00 0.00 55.95 55.51 2bx5 s SER 77 Cb 0.15 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2bx5 s SER 77 CO 0.64 -0.40 1.09 -0.22 1.20 0.00 0.00 173.24 175.55 2bx5 s LEU 78 N 2.21 3.47 0.24 3.45 2.96 -0.05 -4.67 118.68 126.29 2bx5 s LEU 78 Ca 0.08 1.96 -0.13 0.00 -0.22 0.00 0.00 54.13 55.82 2bx5 s LEU 78 Cb -0.15 -4.55 -0.00 0.00 0.50 0.00 0.00 46.19 41.99 2bx5 s LEU 78 CO -0.31 -1.43 0.48 -1.10 -1.32 0.00 0.00 176.35 172.67 2bx5 s GLN 79 N -3.98 1.51 0.11 1.98 -1.52 -1.26 -1.20 119.66 115.29 2bx5 s GLN 79 Ca 0.67 -1.19 -0.21 0.00 -1.95 0.00 0.00 55.36 52.67 2bx5 s GLN 79 Cb -0.19 0.48 -0.10 0.00 -0.22 0.00 0.00 33.01 32.97 2bx5 s GLN 79 CO 0.38 -0.63 1.75 -1.35 -0.25 0.00 0.00 175.29 175.19 2bx5 h PRO 80 N 2.26 0.12 0.00 2.91 0.11 -1.99 0.38 132.00 135.78 2bx5 h PRO 80 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2bx5 h PRO 80 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bx5 h PRO 80 CO 0.36 0.08 0.15 -0.85 -0.21 0.00 0.00 178.00 177.53 2bx5 n GLU 81 N -5.04 0.00 -0.74 1.05 0.28 -1.26 -1.64 120.64 113.29 2bx5 n GLU 81 Ca -0.05 0.30 -0.12 0.00 -0.16 0.00 0.00 57.16 57.14 2bx5 n GLU 81 Cb 0.04 -1.65 0.14 0.00 1.43 0.00 0.00 31.44 31.40 2bx5 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bx5 n ASP 82 N -1.28 3.58 -4.52 -1.84 8.00 0.13 -4.85 116.55 115.76 2bx5 n ASP 82 Ca 0.00 -2.94 -0.42 0.00 0.71 0.00 0.00 54.79 52.14 2bx5 n ASP 82 Cb 0.15 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2bx5 n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2bx5 s PHE 83 N -2.09 2.59 -0.04 1.24 5.36 -0.65 -4.87 117.98 119.51 2bx5 s PHE 83 Ca 0.36 -0.69 -0.30 0.00 -0.96 0.00 0.00 56.93 55.34 2bx5 s PHE 83 Cb 0.30 -4.55 0.08 0.00 -0.34 0.00 0.00 43.02 38.50 2bx5 s PHE 83 CO 0.08 -1.86 0.72 0.00 -1.46 0.00 0.00 175.22 172.69 2bx5 s ALA 84 N 4.66 -1.77 -0.60 11.12 0.00 -1.09 -4.70 121.76 129.37 2bx5 s ALA 84 Ca 0.38 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.31 2bx5 s ALA 84 Cb -0.05 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2bx5 s ALA 84 CO -0.01 -0.41 1.20 0.99 0.00 0.00 0.00 175.76 177.53 2bx5 s THR 85 N -1.50 3.98 0.11 0.00 2.01 -1.14 -0.93 115.64 118.17 2bx5 s THR 85 Ca -0.08 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 62.69 2bx5 s THR 85 Cb -0.00 -4.75 -0.06 0.00 0.01 0.00 0.00 72.50 67.70 2bx5 s THR 85 CO 0.06 -1.40 0.39 -0.31 -0.69 0.00 0.00 174.62 172.67 2bx5 s TYR 86 N 5.04 3.53 -0.02 4.92 1.51 -0.69 -2.22 117.35 129.42 2bx5 s TYR 86 Ca 0.42 0.69 0.06 0.00 -1.01 0.00 0.00 57.07 57.23 2bx5 s TYR 86 Cb -0.07 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 2bx5 s TYR 86 CO 0.24 0.47 -0.19 0.71 -1.11 0.00 0.00 175.55 175.67 2bx5 s TYR 87 N -1.53 1.75 0.19 2.71 1.51 0.39 0.44 117.35 122.81 2bx5 s TYR 87 Ca 0.37 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2bx5 s TYR 87 Cb -0.13 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 2bx5 s TYR 87 CO 0.21 -0.03 0.41 0.00 -1.11 0.00 0.00 175.55 175.03 2bx5 s GLN 89 N -3.05 0.34 0.06 0.00 -0.44 -0.47 0.60 119.66 116.69 2bx5 s GLN 89 Ca 0.41 0.93 -0.24 0.00 -2.50 0.00 0.00 55.36 53.96 2bx5 s GLN 89 Cb -0.11 0.17 -0.06 0.00 -1.64 0.00 0.00 33.01 31.37 2bx5 s GLN 89 CO 0.27 -0.35 0.74 1.14 0.50 0.00 0.00 175.29 177.59 2bx5 s GLN 90 N 2.61 4.47 -0.32 1.67 0.00 -0.59 0.52 119.66 128.02 2bx5 s GLN 90 Ca 0.02 1.02 0.10 0.00 -0.00 0.00 0.00 55.36 56.50 2bx5 s GLN 90 Cb -0.13 -3.34 0.70 0.00 0.00 0.00 0.00 33.01 30.24 2bx5 s GLN 90 CO -0.14 0.35 1.75 0.45 0.00 0.00 0.00 175.29 177.71 2bx5 n SER 91 N 2.56 4.40 -0.03 12.60 2.88 0.41 -3.37 113.62 133.07 2bx5 n SER 91 Ca -0.04 -3.31 -0.02 0.00 -1.33 0.00 0.00 58.87 54.17 2bx5 n SER 91 Cb 0.50 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 2bx5 n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bx5 n TYR 92 N -0.40 0.37 -4.66 0.66 9.36 -1.25 -4.88 117.16 116.35 2bx5 n TYR 92 Ca 0.41 0.16 -0.33 0.00 3.32 0.00 0.00 57.90 61.45 2bx5 n TYR 92 Cb 1.34 -0.45 -0.12 0.00 -0.63 0.00 0.00 39.34 39.48 2bx5 n TYR 92 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2bx5 s SER 93 N -4.57 4.47 0.00 2.98 1.04 -1.26 -5.05 113.70 111.32 2bx5 s SER 93 Ca -0.08 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 2bx5 s SER 93 Cb 0.01 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 2bx5 s SER 93 CO 0.11 0.30 0.86 0.42 0.98 0.00 0.00 173.24 175.91 2bx5 s THR 94 N -0.44 4.85 -0.12 2.02 -4.23 -1.26 -2.00 115.64 114.47 2bx5 s THR 94 Ca 0.06 1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 62.09 2bx5 s THR 94 Cb -0.12 -4.21 -0.05 0.00 1.34 0.00 0.00 72.50 69.46 2bx5 s THR 94 CO 0.02 0.24 1.80 -2.16 -0.54 0.00 0.00 174.62 173.98 2bx5 s PRO 95 N 0.64 3.87 -0.38 3.99 0.04 -1.26 -4.92 135.00 136.98 2bx5 s PRO 95 Ca 0.45 2.07 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2bx5 s PRO 95 Cb -0.20 -4.10 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 2bx5 s PRO 95 CO 0.25 -1.22 2.27 0.09 0.04 0.00 0.00 177.00 178.42 2bx5 n ASN 96 N 8.39 2.32 -4.83 6.66 3.02 -0.85 -4.80 115.26 125.17 2bx5 n ASN 96 Ca 0.20 0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 2bx5 n ASN 96 Cb 0.44 -1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 2bx5 n ASN 96 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bx5 s THR 97 N 8.49 5.20 0.05 3.41 -4.23 -1.22 -4.91 115.64 122.44 2bx5 s THR 97 Ca 1.07 0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 62.15 2bx5 s THR 97 Cb -0.64 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 2bx5 s THR 97 CO 0.42 0.56 0.30 -0.36 -0.54 0.00 0.00 174.62 175.00 2bx5 s PHE 98 N -0.82 3.55 0.92 3.99 0.40 -1.26 -1.54 117.98 123.22 2bx5 s PHE 98 Ca 0.20 0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 56.95 2bx5 s PHE 98 Cb -0.15 -2.00 0.21 0.00 0.51 0.00 0.00 43.02 41.60 2bx5 s PHE 98 CO 0.09 0.56 1.22 0.41 0.70 0.00 0.00 175.22 178.21 2bx5 n GLY 99 N 0.80 -1.55 1.49 4.36 0.00 0.20 -4.63 105.19 105.86 2bx5 n GLY 99 Ca -0.08 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.34 2bx5 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bx5 n GLN 100 N -3.66 3.34 -1.32 1.61 0.00 -1.26 -4.68 117.38 111.40 2bx5 n GLN 100 Ca 0.15 -2.72 0.03 0.00 0.00 0.00 0.00 57.00 54.46 2bx5 n GLN 100 Cb 0.54 -1.78 -0.02 0.00 0.00 0.00 0.00 30.24 28.98 2bx5 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bx5 n GLY 101 N 1.31 -3.76 3.36 2.61 0.00 -1.25 -4.91 105.19 102.54 2bx5 n GLY 101 Ca 0.25 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2bx5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bx5 s THR 102 N -4.98 3.59 -0.39 2.61 2.01 0.17 -4.72 115.64 113.93 2bx5 s THR 102 Ca 0.00 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 2bx5 s THR 102 Cb 0.00 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.88 2bx5 s THR 102 CO 0.00 0.42 1.50 -0.75 -0.69 0.00 0.00 174.62 175.10 2bx5 s LYS 103 N 1.29 3.53 -0.34 4.92 2.20 0.12 -1.70 119.74 129.75 2bx5 s LYS 103 Ca 0.04 1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 56.60 2bx5 s LYS 103 Cb -0.14 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.12 2bx5 s LYS 103 CO -0.01 -1.63 0.19 0.08 -0.36 0.00 0.00 175.35 173.63 2bx5 s VAL 104 N 5.75 4.73 0.04 4.02 1.01 -0.11 -0.15 120.40 135.70 2bx5 s VAL 104 Ca 0.66 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2bx5 s VAL 104 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2bx5 s VAL 104 CO 0.33 -0.07 0.01 -0.70 0.00 0.00 0.00 175.10 174.67 2bx5 s GLU 105 N 1.61 2.71 0.00 2.72 2.56 0.88 -2.69 118.70 126.50 2bx5 s GLU 105 Ca 0.04 -0.70 0.28 0.00 0.00 0.00 0.00 54.97 54.58 2bx5 s GLU 105 Cb -0.18 -2.63 0.99 0.00 2.00 0.00 0.00 34.13 34.31 2bx5 s GLU 105 CO 0.07 0.59 1.71 -0.89 -0.56 0.00 0.00 175.26 176.18