#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 5.16 -0.04 5.18 1.01 -1.26 -5.06 121.20 126.19 2bx5 s ILE 2 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 60.65 61.28 2bx5 s ILE 2 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2bx5 s ILE 2 CO 0.00 0.20 0.39 -1.10 0.00 0.00 0.00 174.94 174.43 2bx5 s GLN 3 N 1.58 3.98 -0.23 2.79 1.11 -1.26 -4.73 119.66 122.91 2bx5 s GLN 3 Ca 0.20 0.36 -0.02 0.00 0.01 0.00 0.00 55.36 55.90 2bx5 s GLN 3 Cb -0.15 -3.27 0.01 0.00 -1.01 0.00 0.00 33.01 28.59 2bx5 s GLN 3 CO 0.09 0.58 -0.07 -1.64 0.01 0.00 0.00 175.29 174.26 2bx5 s MET 4 N -0.69 3.11 -0.37 2.91 -1.94 -1.26 0.85 119.30 121.91 2bx5 s MET 4 Ca 0.23 -0.79 -0.17 0.00 -1.71 0.00 0.00 55.69 53.25 2bx5 s MET 4 Cb -0.16 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.74 2bx5 s MET 4 CO 0.11 -0.28 0.45 0.99 -0.01 0.00 0.00 175.02 176.28 2bx5 s THR 5 N 1.40 5.08 0.12 2.05 2.01 0.15 -4.67 115.64 121.76 2bx5 s THR 5 Ca 0.04 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2bx5 s THR 5 Cb -0.15 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2bx5 s THR 5 CO -0.05 -0.25 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.03 2bx5 s GLN 6 N 2.22 2.43 -0.09 4.92 0.74 -1.26 -1.17 119.66 127.44 2bx5 s GLN 6 Ca 0.15 -0.94 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 2bx5 s GLN 6 Cb -0.16 -2.45 0.09 0.00 1.10 0.00 0.00 33.01 31.59 2bx5 s GLN 6 CO 0.13 0.51 0.79 -1.54 -0.55 0.00 0.00 175.29 174.63 2bx5 s SER 7 N -2.46 -0.56 1.04 6.67 1.04 -0.91 -4.84 113.70 113.66 2bx5 s SER 7 Ca 0.25 0.64 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 2bx5 s SER 7 Cb -0.11 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.56 2bx5 s SER 7 CO 0.18 -0.51 0.26 -0.81 0.98 0.00 0.00 173.24 173.34 2bx5 n PRO 8 N 0.91 -1.06 -0.12 4.02 -0.04 -1.26 -3.08 135.00 134.36 2bx5 n PRO 8 Ca -0.16 -0.42 -0.18 0.00 -0.04 0.00 0.00 63.50 62.70 2bx5 n PRO 8 Cb 0.57 -0.35 -0.12 0.00 -0.04 0.00 0.00 33.50 33.57 2bx5 n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bx5 n SER 9 N -3.34 1.99 -3.92 3.54 3.41 -1.26 -4.25 113.62 109.78 2bx5 n SER 9 Ca 0.04 -0.11 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 2bx5 n SER 9 Cb 0.13 -0.44 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 2bx5 n SER 9 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bx5 s SER 10 N -6.57 3.05 -0.28 4.04 0.15 -1.26 -0.70 113.70 112.14 2bx5 s SER 10 Ca -0.34 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 55.57 2bx5 s SER 10 Cb 0.09 -1.02 0.06 0.00 -1.71 0.00 0.00 66.02 63.44 2bx5 s SER 10 CO 0.61 -0.17 -0.06 -0.22 1.20 0.00 0.00 173.24 174.59 2bx5 s LEU 11 N 1.55 3.73 -0.50 3.45 2.96 -0.92 -4.93 118.68 124.03 2bx5 s LEU 11 Ca -0.00 -1.49 0.03 0.00 -0.22 0.00 0.00 54.13 52.45 2bx5 s LEU 11 Cb -0.16 -1.59 0.15 0.00 0.50 0.00 0.00 46.19 45.09 2bx5 s LEU 11 CO -0.08 -0.23 0.30 -0.55 -1.32 0.00 0.00 176.35 174.47 2bx5 s SER 12 N 1.12 3.67 0.53 3.68 0.15 -1.26 -3.54 113.70 118.04 2bx5 s SER 12 Ca -0.05 -2.96 0.08 0.00 0.70 0.00 0.00 55.95 53.72 2bx5 s SER 12 Cb -0.20 -1.14 0.06 0.00 -1.71 0.00 0.00 66.02 63.03 2bx5 s SER 12 CO -0.05 -0.22 0.65 0.00 1.20 0.00 0.00 173.24 174.83 2bx5 s ALA 13 N -0.11 4.58 0.08 5.45 0.00 -1.21 -4.95 121.76 125.60 2bx5 s ALA 13 Ca 0.21 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2bx5 s ALA 13 Cb -0.17 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 2bx5 s ALA 13 CO -0.06 -0.65 0.19 -1.54 0.00 0.00 0.00 175.76 173.71 2bx5 s SER 14 N -4.50 6.18 -0.67 0.00 1.04 -1.26 -4.05 113.70 110.44 2bx5 s SER 14 Ca 0.54 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 2bx5 s SER 14 Cb -0.05 -1.85 -0.18 0.00 0.10 0.00 0.00 66.02 64.04 2bx5 s SER 14 CO 0.34 0.15 1.85 0.52 0.98 0.00 0.00 173.24 177.07 2bx5 n VAL 15 N 0.18 0.00 0.00 5.02 0.31 -1.26 -2.41 118.33 120.17 2bx5 n VAL 15 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2bx5 n VAL 15 Cb 0.52 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 2bx5 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bx5 n GLY 16 N 5.59 1.42 3.66 2.92 0.00 -0.41 -4.87 105.19 113.51 2bx5 n GLY 16 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.85 1.25 -0.84 1.61 1.11 -1.01 -4.63 116.67 112.31 2bx5 s ASP 17 Ca 0.00 0.50 -0.11 0.00 0.18 0.00 0.00 52.55 53.12 2bx5 s ASP 17 Cb 0.00 -0.66 0.22 0.00 1.07 0.00 0.00 42.92 43.55 2bx5 s ASP 17 CO 0.00 -3.90 0.77 -0.60 1.18 0.00 0.00 175.17 172.62 2bx5 s ARG 18 N -5.55 3.52 0.19 8.23 3.00 -1.26 -3.82 118.95 123.26 2bx5 s ARG 18 Ca 0.72 -2.63 -0.30 0.00 -1.00 0.00 0.00 55.73 52.51 2bx5 s ARG 18 Cb -0.08 -4.32 -0.09 0.00 0.00 0.00 0.00 34.95 30.47 2bx5 s ARG 18 CO 0.55 -1.26 1.39 0.08 0.00 0.00 0.00 175.30 176.06 2bx5 s VAL 19 N -0.17 3.02 -0.41 7.11 1.01 -1.24 -4.93 120.40 124.79 2bx5 s VAL 19 Ca 0.20 0.81 0.02 0.00 0.00 0.00 0.00 61.98 63.01 2bx5 s VAL 19 Cb -0.11 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 32.88 2bx5 s VAL 19 CO -0.08 0.11 0.21 -0.89 0.00 0.00 0.00 175.10 174.44 2bx5 s THR 20 N 0.39 1.27 -0.13 3.92 2.01 -1.26 -1.46 115.64 120.38 2bx5 s THR 20 Ca 0.60 -2.30 -0.20 0.00 0.31 0.00 0.00 61.69 60.10 2bx5 s THR 20 Cb -0.39 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2bx5 s THR 20 CO 0.37 -0.85 0.58 -0.63 -0.69 0.00 0.00 174.62 173.40 2bx5 s ILE 21 N 0.63 5.11 -0.12 1.82 1.01 0.15 -4.95 121.20 124.85 2bx5 s ILE 21 Ca 0.16 1.15 -0.05 0.00 0.00 0.00 0.00 60.65 61.90 2bx5 s ILE 21 Cb -0.23 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2bx5 s ILE 21 CO -0.04 0.25 0.08 0.42 0.00 0.00 0.00 174.94 175.65 2bx5 s THR 22 N 1.02 4.97 0.25 2.92 -4.23 -1.18 0.02 115.64 119.40 2bx5 s THR 22 Ca 0.30 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 2bx5 s THR 22 Cb -0.16 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2bx5 s THR 22 CO 0.13 0.59 0.13 0.00 -0.54 0.00 0.00 174.62 174.92 2bx5 s ARG 24 N -4.03 0.65 -0.22 0.00 3.52 -0.31 -1.80 118.95 116.76 2bx5 s ARG 24 Ca 0.38 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 2bx5 s ARG 24 Cb 0.07 0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 2bx5 s ARG 24 CO 0.14 -0.13 -0.12 0.00 -0.81 0.00 0.00 175.30 174.39 2bx5 s ALA 25 N -0.20 2.55 0.17 6.12 0.00 -0.44 0.31 121.76 130.26 2bx5 s ALA 25 Ca -0.00 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.59 2bx5 s ALA 25 Cb -0.03 -1.49 0.51 0.00 0.00 0.00 0.00 23.12 22.10 2bx5 s ALA 25 CO -0.01 -0.70 0.78 -1.13 0.00 0.00 0.00 175.76 174.69 2bx5 n SER 26 N 4.61 0.04 -2.28 0.00 3.41 0.25 -4.49 113.62 115.17 2bx5 n SER 26 Ca -0.18 0.83 -0.09 0.00 -0.26 0.00 0.00 58.87 59.18 2bx5 n SER 26 Cb 0.47 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 2bx5 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bx5 n GLN 27 N -4.37 0.79 -2.84 4.33 10.64 -1.26 -5.00 117.38 119.67 2bx5 n GLN 27 Ca 0.15 -1.18 -0.42 0.00 -1.83 0.00 0.00 57.00 53.72 2bx5 n GLN 27 Cb 0.49 0.66 -0.04 0.00 -0.86 0.00 0.00 30.24 30.49 2bx5 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2bx5 s SER 28 N -1.86 7.05 -0.09 2.61 0.15 -1.26 -4.58 113.70 115.73 2bx5 s SER 28 Ca 0.07 1.29 0.15 0.00 0.70 0.00 0.00 55.95 58.17 2bx5 s SER 28 Cb 0.00 -2.48 0.31 0.00 -1.71 0.00 0.00 66.02 62.14 2bx5 s SER 28 CO 0.05 -0.39 1.15 2.30 1.20 0.00 0.00 173.24 177.55 2bx5 n ILE 29 N 4.59 1.04 0.00 6.45 -6.64 -0.41 -4.98 119.36 119.42 2bx5 n ILE 29 Ca 0.05 -1.74 0.00 0.00 -1.77 0.00 0.00 62.75 59.30 2bx5 n ILE 29 Cb 0.49 0.28 0.00 0.00 -1.44 0.00 0.00 39.64 38.97 2bx5 n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2bx5 n SER 30 N -0.47 0.00 -2.97 7.28 2.88 -1.26 -3.71 113.62 115.38 2bx5 n SER 30 Ca 0.11 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.51 2bx5 n SER 30 Cb 0.82 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.30 2bx5 n SER 30 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bx5 n SER 31 N 5.47 -0.83 -0.09 -3.46 2.88 -1.26 -2.42 113.62 113.91 2bx5 n SER 31 Ca 0.00 -3.29 0.02 0.00 -1.33 0.00 0.00 58.87 54.27 2bx5 n SER 31 Cb 0.00 0.62 0.03 0.00 -0.75 0.00 0.00 64.21 64.12 2bx5 n SER 31 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2bx5 n TYR 32 N 0.52 0.00 -1.79 0.66 4.02 -1.24 -4.25 117.16 115.07 2bx5 n TYR 32 Ca 0.16 -0.41 -0.42 0.00 -0.01 0.00 0.00 57.90 57.22 2bx5 n TYR 32 Cb 0.66 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 2bx5 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2bx5 s LEU 33 N -1.01 4.37 -0.07 7.72 2.96 -1.26 -2.30 118.68 129.09 2bx5 s LEU 33 Ca 0.07 2.78 0.03 0.00 -0.22 0.00 0.00 54.13 56.79 2bx5 s LEU 33 Cb 0.06 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.17 2bx5 s LEU 33 CO 0.01 -0.93 -0.15 0.20 -1.32 0.00 0.00 176.35 174.16 2bx5 s ASN 34 N 1.31 2.08 -0.30 3.68 0.01 0.11 -1.56 114.94 120.26 2bx5 s ASN 34 Ca 0.74 -0.36 -0.17 0.00 -0.71 0.00 0.00 52.86 52.36 2bx5 s ASN 34 Cb -0.47 -0.94 -0.02 0.00 0.41 0.00 0.00 41.25 40.22 2bx5 s ASN 34 CO 0.32 0.07 0.47 0.26 -1.51 0.00 0.00 177.10 176.71 2bx5 s TRP 35 N 0.56 3.22 0.25 2.20 0.52 -0.88 0.26 118.94 125.07 2bx5 s TRP 35 Ca -0.15 0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.39 2bx5 s TRP 35 Cb -0.16 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 2bx5 s TRP 35 CO 0.05 -0.39 0.21 0.71 0.02 0.00 0.00 176.95 177.55 2bx5 s TYR 36 N 2.27 3.12 -0.36 -1.98 1.51 0.36 -1.57 117.35 120.70 2bx5 s TYR 36 Ca 0.18 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 2bx5 s TYR 36 Cb -0.16 -1.42 0.11 0.00 -0.11 0.00 0.00 41.96 40.39 2bx5 s TYR 36 CO 0.11 0.51 0.14 -1.14 -1.11 0.00 0.00 175.55 174.07 2bx5 s GLN 37 N -3.85 1.00 -0.30 -0.62 0.74 -0.56 -1.69 119.66 114.38 2bx5 s GLN 37 Ca 0.33 -1.50 -0.14 0.00 0.05 0.00 0.00 55.36 54.10 2bx5 s GLN 37 Cb -0.08 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.77 2bx5 s GLN 37 CO 0.25 -1.05 0.34 -1.14 -0.55 0.00 0.00 175.29 173.15 2bx5 s GLN 38 N 1.08 3.84 -0.10 1.67 0.74 -1.07 -2.97 119.66 122.85 2bx5 s GLN 38 Ca 0.13 -0.18 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 2bx5 s GLN 38 Cb -0.20 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 2bx5 s GLN 38 CO -0.14 -0.36 0.57 0.15 -0.55 0.00 0.00 175.29 174.97 2bx5 s LYS 39 N 2.01 4.38 0.08 1.67 1.02 -1.26 -1.68 119.74 125.96 2bx5 s LYS 39 Ca 0.13 0.63 -0.15 0.00 0.02 0.00 0.00 55.97 56.59 2bx5 s LYS 39 Cb -0.16 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.62 2bx5 s LYS 39 CO 0.11 0.11 0.32 -2.30 -0.92 0.00 0.00 175.35 172.66 2bx5 n PRO 40 N 3.76 0.00 -0.11 -1.68 -0.02 -1.26 -1.20 135.00 134.49 2bx5 n PRO 40 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2bx5 n PRO 40 Cb 0.51 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 2bx5 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bx5 n GLY 41 N 0.95 1.42 2.00 -1.23 0.00 -1.26 -4.94 105.19 102.14 2bx5 n GLY 41 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.96 -4.42 1.61 4.76 -0.34 -5.14 118.16 113.58 2bx5 n LYS 42 Ca 0.00 -1.73 -0.29 0.00 -2.87 0.00 0.00 58.31 53.42 2bx5 n LYS 42 Cb 0.00 0.07 -0.12 0.00 -1.84 0.00 0.00 35.03 33.13 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 -2.39 2.53 0.08 7.82 0.00 -1.26 -4.73 121.76 123.81 2bx5 s ALA 43 Ca 0.22 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2bx5 s ALA 43 Cb -0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 2bx5 s ALA 43 CO 0.14 0.57 0.38 -1.25 0.00 0.00 0.00 175.76 175.60 2bx5 s PRO 44 N -1.96 3.71 0.02 0.00 0.04 -1.26 -4.73 135.00 130.83 2bx5 s PRO 44 Ca 0.16 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.34 2bx5 s PRO 44 Cb -0.10 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2bx5 s PRO 44 CO 0.07 0.55 -0.09 0.15 0.04 0.00 0.00 177.00 177.73 2bx5 s LYS 45 N -2.02 2.42 -0.03 4.56 1.02 -1.16 -4.76 119.74 119.78 2bx5 s LYS 45 Ca 0.34 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 2bx5 s LYS 45 Cb -0.13 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2bx5 s LYS 45 CO 0.19 0.58 1.13 -1.17 -0.92 0.00 0.00 175.35 175.15 2bx5 s LEU 46 N -1.53 4.31 -0.06 3.17 2.96 -1.26 -1.49 118.68 124.77 2bx5 s LEU 46 Ca 0.17 1.78 -0.09 0.00 -0.22 0.00 0.00 54.13 55.77 2bx5 s LEU 46 Cb -0.11 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2bx5 s LEU 46 CO 0.08 -0.48 -0.18 0.18 -1.32 0.00 0.00 176.35 174.63 2bx5 n LEU 47 N 4.68 1.33 -4.63 -0.68 4.77 -0.61 -4.86 117.00 117.01 2bx5 n LEU 47 Ca 0.09 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 2bx5 n LEU 47 Cb 0.47 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2bx5 n LEU 47 CO 0.54 -0.46 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.14 2bx5 s ILE 48 N -2.28 3.56 0.20 -0.08 1.01 -1.21 -2.35 121.20 120.05 2bx5 s ILE 48 Ca -0.15 -1.45 -0.19 0.00 0.00 0.00 0.00 60.65 58.86 2bx5 s ILE 48 Cb 0.02 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.76 2bx5 s ILE 48 CO 0.22 -0.07 0.57 -0.72 0.00 0.00 0.00 174.94 174.93 2bx5 s TYR 49 N -1.65 -0.21 -0.91 3.97 -0.85 -0.96 -2.07 117.35 114.67 2bx5 s TYR 49 Ca 0.26 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2bx5 s TYR 49 Cb -0.09 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.72 2bx5 s TYR 49 CO 0.17 -0.95 0.00 0.00 -1.52 0.00 0.00 175.55 173.25 2bx5 n ALA 50 N -0.37 -0.40 0.00 9.51 0.00 -1.21 -3.02 120.51 125.02 2bx5 n ALA 50 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2bx5 n ALA 50 Cb 0.62 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.82 0.00 -0.04 0.00 0.00 -0.60 -4.30 120.51 114.75 2bx5 n ALA 51 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2bx5 n ALA 51 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2bx5 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2bx5 n SER 52 N 2.69 3.18 -4.65 0.00 7.64 -1.24 -2.89 113.62 118.34 2bx5 n SER 52 Ca 0.00 -0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 2bx5 n SER 52 Cb 0.00 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2bx5 n SER 52 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bx5 s SER 53 N -4.47 6.58 0.80 6.43 0.15 -1.17 -4.56 113.70 117.47 2bx5 s SER 53 Ca -0.09 1.98 -0.11 0.00 0.70 0.00 0.00 55.95 58.43 2bx5 s SER 53 Cb 0.03 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.88 2bx5 s SER 53 CO 0.27 -1.03 1.09 -0.76 1.20 0.00 0.00 173.24 174.00 2bx5 s LEU 54 N 4.43 2.81 -0.09 3.45 1.43 -1.26 -2.26 118.68 127.19 2bx5 s LEU 54 Ca 0.71 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.50 2bx5 s LEU 54 Cb -0.29 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 2bx5 s LEU 54 CO 0.28 -2.14 -0.10 -1.10 0.23 0.00 0.00 176.35 173.52 2bx5 s GLN 55 N -4.94 2.98 1.04 1.70 -1.52 -0.99 -4.88 119.66 113.05 2bx5 s GLN 55 Ca 0.61 -0.62 -0.12 0.00 -1.95 0.00 0.00 55.36 53.29 2bx5 s GLN 55 Cb -0.17 -2.59 0.21 0.00 -0.22 0.00 0.00 33.01 30.24 2bx5 s GLN 55 CO 0.56 0.48 1.08 -1.54 -0.25 0.00 0.00 175.29 175.62 2bx5 s SER 56 N -0.33 2.00 0.00 5.90 1.04 -1.26 -3.53 113.70 117.51 2bx5 s SER 56 Ca 0.04 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2bx5 s SER 56 Cb -0.13 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2bx5 s SER 56 CO 0.02 -3.61 0.00 0.61 0.98 0.00 0.00 173.24 171.25 2bx5 n GLY 57 N 0.32 2.72 3.81 7.32 0.00 -1.26 -5.00 105.19 113.10 2bx5 n GLY 57 Ca 0.07 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2bx5 n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bx5 s VAL 58 N -1.60 5.06 0.00 1.61 -7.23 -1.23 -5.09 120.40 111.92 2bx5 s VAL 58 Ca 0.00 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2bx5 s VAL 58 Cb 0.00 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2bx5 s VAL 58 CO 0.00 0.52 0.00 -2.65 -0.31 0.00 0.00 175.10 172.66 2bx5 n PRO 59 N 2.23 0.96 0.00 4.82 -0.01 -1.26 -4.94 135.00 136.81 2bx5 n PRO 59 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.36 2bx5 n PRO 59 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.01 2bx5 n PRO 59 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 2bx5 n SER 60 N 0.00 0.00 0.12 2.55 2.88 -1.26 -4.78 113.62 113.13 2bx5 n SER 60 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2bx5 n SER 60 Cb 0.00 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.91 2bx5 n SER 60 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2bx5 n ARG 61 N -0.21 0.24 -2.16 -1.46 0.00 -1.26 -4.67 116.66 107.14 2bx5 n ARG 61 Ca 0.00 0.33 -0.43 0.00 -0.00 0.00 0.00 57.85 57.75 2bx5 n ARG 61 Cb 0.00 -1.86 -0.02 0.00 -0.00 0.00 0.00 32.46 30.58 2bx5 n ARG 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2bx5 s PHE 62 N -3.22 2.17 -0.15 2.89 2.99 -1.25 -3.57 117.98 117.83 2bx5 s PHE 62 Ca 0.07 0.60 -0.12 0.00 0.00 0.00 0.00 56.93 57.48 2bx5 s PHE 62 Cb 0.11 -4.01 0.04 0.00 0.00 0.00 0.00 43.02 39.16 2bx5 s PHE 62 CO 0.50 -2.72 0.40 -1.54 -0.00 0.00 0.00 175.22 171.86 2bx5 s SER 63 N 4.22 -0.43 -0.16 1.36 1.04 -1.21 -4.92 113.70 113.60 2bx5 s SER 63 Ca 0.70 0.81 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 2bx5 s SER 63 Cb -0.23 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 2bx5 s SER 63 CO 0.29 -0.15 -0.05 -0.83 0.98 0.00 0.00 173.24 173.48 2bx5 s GLY 64 N 0.53 1.67 0.20 7.32 0.00 -1.14 -2.94 107.32 112.95 2bx5 s GLY 64 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2bx5 s GLY 64 CO -0.03 -0.00 0.23 -1.14 0.00 0.00 0.00 173.10 172.16 2bx5 n SER 65 N 3.76 1.03 0.00 1.64 3.41 -1.25 -3.85 113.62 118.36 2bx5 n SER 65 Ca -0.18 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 2bx5 n SER 65 Cb 0.52 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2bx5 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bx5 n GLY 66 N 2.61 -2.62 3.27 5.00 0.00 -1.26 -3.17 105.19 109.02 2bx5 n GLY 66 Ca 0.03 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.50 0.02 0.00 1.61 0.15 -1.23 -4.87 113.70 105.88 2bx5 s SER 67 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2bx5 s SER 67 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2bx5 s SER 67 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2bx5 n GLY 68 N -0.14 1.56 0.99 9.45 0.00 -1.02 -4.25 105.19 111.79 2bx5 n GLY 68 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.43 2.61 -1.04 -1.26 -1.28 114.28 109.88 2bx5 n THR 69 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2bx5 n THR 69 Cb 0.00 -1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 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 -4.96 6.61 0.17 8.00 1.01 -1.26 -1.32 116.67 124.93 2bx5 s ASP 70 Ca 0.00 0.73 0.00 0.00 0.71 0.00 0.00 52.55 53.99 2bx5 s ASP 70 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2bx5 s ASP 70 CO 0.00 0.09 0.05 -0.36 0.21 0.00 0.00 175.17 175.16 2bx5 s PHE 71 N 0.27 1.13 -0.02 4.23 0.40 -0.74 -3.52 117.98 119.72 2bx5 s PHE 71 Ca 0.22 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2bx5 s PHE 71 Cb -0.15 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.78 2bx5 s PHE 71 CO 0.08 -0.38 0.02 0.99 0.70 0.00 0.00 175.22 176.63 2bx5 s THR 72 N -3.86 -0.04 -0.45 0.64 2.01 -1.19 -2.16 115.64 110.60 2bx5 s THR 72 Ca 0.28 0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.24 2bx5 s THR 72 Cb 0.07 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.52 2bx5 s THR 72 CO 0.05 0.08 0.71 -0.22 -0.69 0.00 0.00 174.62 174.56 2bx5 s LEU 73 N 0.93 4.39 0.07 4.42 2.96 0.10 -3.63 118.68 127.92 2bx5 s LEU 73 Ca -0.08 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2bx5 s LEU 73 Cb -0.11 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2bx5 s LEU 73 CO -0.03 -0.85 0.07 -0.89 -1.32 0.00 0.00 176.35 173.33 2bx5 s THR 74 N 3.05 4.51 -0.45 3.68 2.01 -1.15 0.33 115.64 127.62 2bx5 s THR 74 Ca 0.26 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.60 2bx5 s THR 74 Cb -0.13 -3.15 0.24 0.00 0.01 0.00 0.00 72.50 69.47 2bx5 s THR 74 CO 0.21 0.16 0.71 -0.38 -0.69 0.00 0.00 174.62 174.63 2bx5 n ILE 75 N 0.60 -0.33 -0.54 1.82 5.41 -0.54 -3.30 119.36 122.48 2bx5 n ILE 75 Ca -0.10 -2.62 0.42 0.00 1.00 0.00 0.00 62.75 61.46 2bx5 n ILE 75 Cb 0.52 -0.09 0.66 0.00 -0.71 0.00 0.00 39.64 40.02 2bx5 n ILE 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2bx5 n SER 76 N 1.62 0.07 -4.10 4.38 3.41 -1.24 -3.65 113.62 114.11 2bx5 n SER 76 Ca 0.15 1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 59.67 2bx5 n SER 76 Cb 0.58 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 2bx5 n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bx5 s SER 77 N -4.05 0.76 -0.14 4.04 1.04 -1.25 -4.14 113.70 109.96 2bx5 s SER 77 Ca -0.05 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.34 2bx5 s SER 77 Cb 0.25 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2bx5 s SER 77 CO 0.75 -0.44 0.47 -0.22 0.98 0.00 0.00 173.24 174.78 2bx5 s LEU 78 N -2.55 0.19 0.20 2.42 2.96 -1.26 -4.94 118.68 115.70 2bx5 s LEU 78 Ca 0.03 0.81 -0.23 0.00 -0.22 0.00 0.00 54.13 54.51 2bx5 s LEU 78 Cb 0.02 1.68 0.05 0.00 0.50 0.00 0.00 46.19 48.43 2bx5 s LEU 78 CO -0.05 -0.25 0.77 0.00 -1.32 0.00 0.00 176.35 175.49 2bx5 s GLN 79 N -0.13 1.45 0.00 1.98 -2.07 -1.26 -1.28 119.66 118.35 2bx5 s GLN 79 Ca -0.03 -0.74 0.15 0.00 -1.82 0.00 0.00 55.36 52.92 2bx5 s GLN 79 Cb -0.03 0.54 0.90 0.00 -1.09 0.00 0.00 33.01 33.33 2bx5 s GLN 79 CO 0.02 -0.66 1.32 -2.30 -1.32 0.00 0.00 175.29 172.36 2bx5 n PRO 80 N -0.43 0.54 -0.15 9.60 -0.02 -1.26 0.20 135.00 143.48 2bx5 n PRO 80 Ca -0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.35 2bx5 n PRO 80 Cb 0.61 -1.44 0.12 0.00 -0.02 0.00 0.00 33.50 32.77 2bx5 n PRO 80 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2bx5 h GLU 81 N 0.00 0.91 0.00 -0.52 4.11 -2.02 -3.30 114.58 113.75 2bx5 h GLU 81 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2bx5 h GLU 81 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2bx5 h GLU 81 CO 0.00 0.88 0.00 -0.25 0.07 0.00 0.00 179.01 179.71 2bx5 n ASP 82 N -4.21 0.00 -4.36 3.06 8.00 0.53 -4.83 116.55 114.73 2bx5 n ASP 82 Ca 0.03 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 2bx5 n ASP 82 Cb 0.30 -0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2bx5 n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2bx5 n PHE 83 N -1.30 0.25 -3.84 1.24 -0.00 -1.25 -4.75 117.46 107.81 2bx5 n PHE 83 Ca 0.13 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.45 57.49 2bx5 n PHE 83 Cb 0.23 -1.01 -0.02 0.00 -0.00 0.00 0.00 39.48 38.69 2bx5 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bx5 s ALA 84 N 3.80 -1.27 -0.39 3.13 0.00 -0.73 -4.73 121.76 121.57 2bx5 s ALA 84 Ca 0.81 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 2bx5 s ALA 84 Cb -0.41 0.81 0.09 0.00 0.00 0.00 0.00 23.12 23.61 2bx5 s ALA 84 CO 0.29 -1.04 0.18 0.99 0.00 0.00 0.00 175.76 176.18 2bx5 s THR 85 N -3.74 3.48 -0.23 0.00 2.01 -0.67 -0.97 115.64 115.52 2bx5 s THR 85 Ca 0.11 -1.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.11 2bx5 s THR 85 Cb -0.05 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 2bx5 s THR 85 CO 0.06 -0.54 0.74 -0.31 -0.69 0.00 0.00 174.62 173.88 2bx5 s TYR 86 N 1.23 3.33 -0.15 4.92 1.51 -1.20 -2.61 117.35 124.39 2bx5 s TYR 86 Ca 0.04 1.03 0.01 0.00 -1.01 0.00 0.00 57.07 57.15 2bx5 s TYR 86 Cb -0.22 -2.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.68 2bx5 s TYR 86 CO -0.02 -0.31 -0.17 0.71 -1.11 0.00 0.00 175.55 174.65 2bx5 s TYR 87 N 2.47 2.75 0.32 2.71 1.51 -0.68 -2.11 117.35 124.32 2bx5 s TYR 87 Ca 0.32 -1.12 -0.22 0.00 -1.01 0.00 0.00 57.07 55.04 2bx5 s TYR 87 Cb -0.16 -1.87 -0.10 0.00 -0.11 0.00 0.00 41.96 39.73 2bx5 s TYR 87 CO 0.09 -0.51 0.87 0.00 -1.11 0.00 0.00 175.55 174.89 2bx5 s GLN 89 N -2.33 1.59 -0.38 0.00 0.74 0.72 -1.34 119.66 118.67 2bx5 s GLN 89 Ca 0.51 -1.90 0.01 0.00 0.05 0.00 0.00 55.36 54.02 2bx5 s GLN 89 Cb -0.16 -0.33 0.12 0.00 1.10 0.00 0.00 33.01 33.75 2bx5 s GLN 89 CO 0.20 -0.37 0.18 -1.14 -0.55 0.00 0.00 175.29 173.61 2bx5 s GLN 90 N -3.88 0.95 0.00 1.67 -0.44 -0.45 0.04 119.66 117.56 2bx5 s GLN 90 Ca 0.35 -1.53 0.06 0.00 -2.50 0.00 0.00 55.36 51.74 2bx5 s GLN 90 Cb 0.06 -2.04 0.37 0.00 -1.64 0.00 0.00 33.01 29.76 2bx5 s GLN 90 CO 0.16 -1.10 0.79 0.45 0.50 0.00 0.00 175.29 176.09 2bx5 n SER 91 N 4.14 0.00 0.00 6.67 2.88 -0.97 -3.65 113.62 122.69 2bx5 n SER 91 Ca 0.05 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2bx5 n SER 91 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.73 0.00 -3.97 0.66 9.36 -1.26 -4.71 117.16 116.52 2bx5 n TYR 92 Ca 0.05 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.92 2bx5 n TYR 92 Cb 0.02 -0.31 -0.14 0.00 -0.63 0.00 0.00 39.34 38.28 2bx5 n TYR 92 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2bx5 s SER 93 N -2.16 4.49 -0.17 2.98 0.15 -1.26 -5.01 113.70 112.71 2bx5 s SER 93 Ca 0.00 -1.10 -0.37 0.00 0.70 0.00 0.00 55.95 55.18 2bx5 s SER 93 Cb 0.00 -1.65 -0.14 0.00 -1.71 0.00 0.00 66.02 62.52 2bx5 s SER 93 CO 0.00 -0.18 1.81 0.35 1.20 0.00 0.00 173.24 176.42 2bx5 n THR 94 N 4.61 0.44 -3.30 6.45 -2.24 -1.26 -3.30 114.28 115.67 2bx5 n THR 94 Ca -0.15 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 2bx5 n THR 94 Cb 0.45 -1.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.06 2bx5 n THR 94 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bx5 s PRO 95 N 3.74 4.16 -0.83 -0.78 0.04 -1.26 -5.06 135.00 135.00 2bx5 s PRO 95 Ca 0.95 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 2bx5 s PRO 95 Cb -0.87 -3.20 -0.18 0.00 0.04 0.00 0.00 34.50 30.28 2bx5 s PRO 95 CO 0.58 0.63 2.36 0.09 0.04 0.00 0.00 177.00 180.70 2bx5 n ASN 96 N 1.63 1.08 -4.64 6.66 4.13 -1.21 -4.85 115.26 118.07 2bx5 n ASN 96 Ca -0.10 -1.24 -0.29 0.00 1.68 0.00 0.00 54.58 54.63 2bx5 n ASN 96 Cb 0.51 -1.41 0.19 0.00 -1.54 0.00 0.00 39.78 37.53 2bx5 n ASN 96 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2bx5 s THR 97 N 11.46 1.99 0.30 3.41 -4.23 -1.25 -4.70 115.64 122.63 2bx5 s THR 97 Ca 1.02 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.56 2bx5 s THR 97 Cb -0.30 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.01 2bx5 s THR 97 CO 0.20 0.00 0.08 -0.36 -0.54 0.00 0.00 174.62 174.00 2bx5 s PHE 98 N -2.95 1.78 0.00 3.99 0.40 -1.26 -1.33 117.98 118.61 2bx5 s PHE 98 Ca 0.66 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2bx5 s PHE 98 Cb -0.19 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.22 2bx5 s PHE 98 CO 0.58 -0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2bx5 n GLY 99 N -0.61 3.24 1.95 4.36 0.00 -0.45 -4.22 105.19 109.46 2bx5 n GLY 99 Ca -0.01 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 1.88 -1.65 1.61 0.00 -1.26 -4.91 117.38 113.05 2bx5 n GLN 100 Ca 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 57.00 53.65 2bx5 n GLN 100 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.77 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 -0.49 -4.47 3.11 2.61 0.00 -1.20 -4.94 105.19 99.80 2bx5 n GLY 101 Ca 0.19 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.34 2.28 -0.61 2.61 2.01 -0.90 -4.54 115.64 112.16 2bx5 s THR 102 Ca 0.00 -1.36 -0.27 0.00 0.31 0.00 0.00 61.69 60.37 2bx5 s THR 102 Cb 0.00 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2bx5 s THR 102 CO 0.00 0.15 1.80 -0.54 -0.69 0.00 0.00 174.62 175.34 2bx5 s LYS 103 N 1.19 2.73 -0.51 4.92 1.02 0.13 -3.24 119.74 125.98 2bx5 s LYS 103 Ca -0.04 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.34 2bx5 s LYS 103 Cb -0.18 -4.35 0.06 0.00 -0.52 0.00 0.00 37.83 32.84 2bx5 s LYS 103 CO -0.07 -2.62 0.62 0.08 -0.92 0.00 0.00 175.35 172.44 2bx5 s VAL 104 N 8.61 4.89 0.32 3.17 1.01 -0.14 -2.16 120.40 136.10 2bx5 s VAL 104 Ca 0.65 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2bx5 s VAL 104 Cb -0.13 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2bx5 s VAL 104 CO 0.21 -0.81 0.48 -1.61 0.00 0.00 0.00 175.10 173.38 2bx5 s GLU 105 N 2.58 3.30 0.00 2.72 0.41 -1.23 -1.78 118.70 124.70 2bx5 s GLU 105 Ca 0.14 -0.69 0.02 0.00 -0.41 0.00 0.00 54.97 54.04 2bx5 s GLU 105 Cb -0.20 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.40 2bx5 s GLU 105 CO 0.11 0.15 0.56 -0.89 -0.49 0.00 0.00 175.26 174.70