#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx5 s GLN 3 N 0.00 3.11 -0.07 0.38 1.11 -1.26 -4.78 119.66 118.15 2bx5 s GLN 3 Ca 0.00 -0.78 -0.20 0.00 0.01 0.00 0.00 55.36 54.39 2bx5 s GLN 3 Cb 0.00 -2.65 -0.04 0.00 -1.01 0.00 0.00 33.01 29.30 2bx5 s GLN 3 CO 0.00 -0.15 0.58 -1.64 0.01 0.00 0.00 175.29 174.09 2bx5 s MET 4 N 1.21 4.36 -0.17 2.91 -1.94 -1.26 -4.38 119.30 120.03 2bx5 s MET 4 Ca 0.02 0.66 0.01 0.00 -1.71 0.00 0.00 55.69 54.67 2bx5 s MET 4 Cb -0.14 -3.41 0.01 0.00 2.01 0.00 0.00 34.83 33.30 2bx5 s MET 4 CO -0.08 0.18 -0.17 0.95 -0.01 0.00 0.00 175.02 175.89 2bx5 s THR 5 N 0.47 2.35 -0.23 2.05 -4.23 -0.53 -4.54 115.64 110.98 2bx5 s THR 5 Ca 0.31 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2bx5 s THR 5 Cb -0.17 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.74 2bx5 s THR 5 CO 0.15 0.52 -0.05 -1.58 -0.54 0.00 0.00 174.62 173.12 2bx5 s GLN 6 N 1.11 1.54 0.00 3.99 0.74 -1.26 0.28 119.66 126.06 2bx5 s GLN 6 Ca 0.00 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.49 2bx5 s GLN 6 Cb -0.14 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.44 2bx5 s GLN 6 CO -0.07 -0.59 0.00 -1.13 -0.55 0.00 0.00 175.29 172.95 2bx5 n SER 7 N 4.71 0.00 0.00 6.67 3.41 -1.15 -4.53 113.62 122.73 2bx5 n SER 7 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2bx5 n SER 7 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2bx5 n SER 7 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2bx5 n PRO 8 N 0.00 0.00 -0.05 4.33 -0.02 -1.26 -4.81 135.00 133.18 2bx5 n PRO 8 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2bx5 n PRO 8 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 2bx5 n PRO 8 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bx5 h SER 9 N 0.00 0.27 -3.43 2.55 0.87 -1.86 -3.43 113.55 108.53 2bx5 h SER 9 Ca 0.00 -0.24 -0.42 0.00 -1.23 0.00 0.00 61.79 59.89 2bx5 h SER 9 Cb 0.00 -0.07 -0.34 0.00 -0.44 0.00 0.00 62.40 61.54 2bx5 h SER 9 CO 0.00 0.44 -0.78 -0.94 -0.53 0.00 0.00 176.83 175.03 2bx5 s SER 10 N -5.70 1.11 -0.21 6.23 1.04 -1.26 -2.48 113.70 112.44 2bx5 s SER 10 Ca -0.14 -0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.08 2bx5 s SER 10 Cb 0.07 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2bx5 s SER 10 CO 0.71 -0.06 0.06 -0.76 0.98 0.00 0.00 173.24 174.17 2bx5 s LEU 11 N 1.03 3.65 -0.27 2.42 1.43 -1.20 -4.88 118.68 120.86 2bx5 s LEU 11 Ca -0.09 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2bx5 s LEU 11 Cb -0.14 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2bx5 s LEU 11 CO -0.00 0.08 -0.10 -0.55 0.23 0.00 0.00 176.35 176.01 2bx5 s SER 12 N 0.90 4.48 0.20 2.29 0.15 -1.26 0.10 113.70 120.56 2bx5 s SER 12 Ca 0.04 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.25 2bx5 s SER 12 Cb -0.14 -1.56 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2bx5 s SER 12 CO 0.03 -0.20 0.02 0.00 1.20 0.00 0.00 173.24 174.29 2bx5 n ALA 13 N 4.43 0.20 -2.45 5.45 0.00 -1.19 -5.02 120.51 121.94 2bx5 n ALA 13 Ca -0.13 -0.93 -0.25 0.00 0.00 0.00 0.00 53.44 52.13 2bx5 n ALA 13 Cb 0.42 0.55 -0.12 0.00 0.00 0.00 0.00 19.45 20.30 2bx5 n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bx5 s SER 14 N -2.13 3.08 -0.11 0.00 0.01 -1.26 -4.50 113.70 108.78 2bx5 s SER 14 Ca 0.03 -0.83 -0.33 0.00 1.31 0.00 0.00 55.95 56.13 2bx5 s SER 14 Cb 0.00 -0.21 -0.10 0.00 0.21 0.00 0.00 66.02 65.92 2bx5 s SER 14 CO 0.02 0.07 1.98 0.52 0.41 0.00 0.00 173.24 176.24 2bx5 n VAL 15 N 0.43 0.55 0.00 3.43 0.31 -1.26 -2.72 118.33 119.08 2bx5 n VAL 15 Ca -0.14 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2bx5 n VAL 15 Cb 0.56 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 4.84 1.10 3.98 2.92 0.00 -1.11 -4.94 105.19 111.97 2bx5 n GLY 16 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.90 5.41 -0.45 1.61 1.01 -1.10 -4.63 116.67 116.63 2bx5 s ASP 17 Ca 0.00 -0.07 -0.20 0.00 0.71 0.00 0.00 52.55 52.98 2bx5 s ASP 17 Cb 0.00 -0.90 0.03 0.00 1.01 0.00 0.00 42.92 43.06 2bx5 s ASP 17 CO 0.00 -1.01 0.64 -0.60 0.21 0.00 0.00 175.17 174.40 2bx5 s ARG 18 N -4.65 3.26 -0.33 8.23 3.52 -1.17 -2.43 118.95 125.37 2bx5 s ARG 18 Ca 0.56 -0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 55.62 2bx5 s ARG 18 Cb -0.10 -3.97 -0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2bx5 s ARG 18 CO 0.37 -1.03 0.18 0.08 -0.81 0.00 0.00 175.30 174.09 2bx5 s VAL 19 N 2.80 4.74 -0.32 7.11 1.01 0.12 -5.00 120.40 130.85 2bx5 s VAL 19 Ca 0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 2bx5 s VAL 19 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2bx5 s VAL 19 CO 0.18 -0.01 0.15 -0.89 0.00 0.00 0.00 175.10 174.53 2bx5 s THR 20 N 1.62 4.50 -0.30 3.92 2.01 -1.26 -1.31 115.64 124.82 2bx5 s THR 20 Ca 0.04 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 2bx5 s THR 20 Cb -0.18 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2bx5 s THR 20 CO 0.07 0.00 0.08 -0.63 -0.69 0.00 0.00 174.62 173.45 2bx5 s ILE 21 N 1.58 3.89 0.76 1.82 1.01 0.53 -4.77 121.20 126.02 2bx5 s ILE 21 Ca 0.04 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 2bx5 s ILE 21 Cb -0.18 -3.03 0.10 0.00 0.01 0.00 0.00 42.46 39.36 2bx5 s ILE 21 CO 0.06 0.05 1.07 -0.89 0.00 0.00 0.00 174.94 175.23 2bx5 s THR 22 N 1.48 2.19 -0.02 2.92 2.01 -1.26 -0.20 115.64 122.76 2bx5 s THR 22 Ca 0.02 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 2bx5 s THR 22 Cb -0.17 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2bx5 s THR 22 CO 0.02 0.00 0.29 0.00 -0.69 0.00 0.00 174.62 174.24 2bx5 s ARG 24 N -1.27 2.07 0.17 0.00 1.81 0.80 -0.41 118.95 122.12 2bx5 s ARG 24 Ca -0.13 -1.38 0.07 0.00 -1.72 0.00 0.00 55.73 52.57 2bx5 s ARG 24 Cb -0.05 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.30 2bx5 s ARG 24 CO 0.04 0.40 -0.15 0.00 -0.68 0.00 0.00 175.30 174.91 2bx5 s ALA 25 N -2.00 1.83 -0.51 2.13 0.00 0.60 -1.46 121.76 122.37 2bx5 s ALA 25 Ca 0.27 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 2bx5 s ALA 25 Cb -0.08 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.06 2bx5 s ALA 25 CO 0.16 0.11 0.44 -1.12 0.00 0.00 0.00 175.76 175.35 2bx5 s SER 26 N -2.91 6.09 0.51 0.00 0.01 -1.26 -4.85 113.70 111.30 2bx5 s SER 26 Ca 0.17 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2bx5 s SER 26 Cb -0.03 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2bx5 s SER 26 CO 0.05 -0.77 0.00 0.00 0.41 0.00 0.00 173.24 172.94 2bx5 n GLN 27 N 5.18 -3.76 -1.15 12.44 1.13 -1.26 -4.88 117.38 125.08 2bx5 n GLN 27 Ca -0.13 2.89 -0.45 0.00 -1.94 0.00 0.00 57.00 57.38 2bx5 n GLN 27 Cb 0.41 -3.61 -0.06 0.00 0.11 0.00 0.00 30.24 27.09 2bx5 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2bx5 n SER 28 N -2.21 0.69 -0.48 1.08 2.88 -1.26 -4.88 113.62 109.45 2bx5 n SER 28 Ca 0.00 0.79 0.07 0.00 -1.33 0.00 0.00 58.87 58.40 2bx5 n SER 28 Cb 0.34 -0.59 0.16 0.00 -0.75 0.00 0.00 64.21 63.37 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 2.44 1.82 0.00 2.46 -5.35 0.30 -5.01 119.36 116.02 2bx5 n ILE 29 Ca 0.20 -2.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.10 2bx5 n ILE 29 Cb -0.03 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.06 0.00 -1.89 7.28 2.88 -1.25 -2.10 113.62 117.49 2bx5 n SER 30 Ca 0.16 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.53 2bx5 n SER 30 Cb 0.71 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.36 2bx5 n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bx5 n SER 31 N 0.70 3.35 -1.33 -3.46 7.64 -1.26 -3.68 113.62 115.57 2bx5 n SER 31 Ca 0.00 -3.66 -0.04 0.00 1.01 0.00 0.00 58.87 56.18 2bx5 n SER 31 Cb 0.00 -0.77 0.22 0.00 -1.01 0.00 0.00 64.21 62.65 2bx5 n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2bx5 n TYR 32 N -1.13 1.47 -3.02 1.43 0.53 -0.89 -1.90 117.16 113.65 2bx5 n TYR 32 Ca 0.51 -1.41 -0.33 0.00 -1.02 0.00 0.00 57.90 55.66 2bx5 n TYR 32 Cb 1.47 -0.53 -0.06 0.00 -1.03 0.00 0.00 39.34 39.18 2bx5 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2bx5 s LEU 33 N -3.12 4.03 0.12 7.72 0.20 -1.26 -4.83 118.68 121.54 2bx5 s LEU 33 Ca 0.47 1.44 0.02 0.00 0.69 0.00 0.00 54.13 56.75 2bx5 s LEU 33 Cb 0.40 -4.23 -0.04 0.00 -0.43 0.00 0.00 46.19 41.89 2bx5 s LEU 33 CO 0.05 -0.25 -0.05 0.20 -0.29 0.00 0.00 176.35 176.01 2bx5 s ASN 34 N -2.21 1.18 -0.19 3.68 -0.87 -1.26 -2.31 114.94 112.96 2bx5 s ASN 34 Ca 0.57 -1.05 -0.00 0.00 -1.57 0.00 0.00 52.86 50.81 2bx5 s ASN 34 Cb -0.10 0.10 0.05 0.00 -0.02 0.00 0.00 41.25 41.27 2bx5 s ASN 34 CO 0.16 -0.48 -0.05 0.26 -2.57 0.00 0.00 177.10 174.41 2bx5 s TRP 35 N -3.62 1.92 0.25 2.20 0.52 -1.22 -3.56 118.94 115.43 2bx5 s TRP 35 Ca 0.15 -1.30 0.07 0.00 0.02 0.00 0.00 56.10 55.04 2bx5 s TRP 35 Cb 0.05 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 2bx5 s TRP 35 CO -0.02 -0.67 0.15 0.71 0.02 0.00 0.00 176.95 177.13 2bx5 s TYR 36 N 1.56 3.03 0.22 -1.98 1.51 -1.25 -1.18 117.35 119.26 2bx5 s TYR 36 Ca -0.01 -0.12 0.12 0.00 -1.01 0.00 0.00 57.07 56.04 2bx5 s TYR 36 Cb -0.16 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 2bx5 s TYR 36 CO -0.07 0.54 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.54 2bx5 s GLN 37 N -3.74 1.56 -0.29 -0.62 0.74 -0.57 -1.24 119.66 115.51 2bx5 s GLN 37 Ca 0.32 -1.60 0.02 0.00 0.05 0.00 0.00 55.36 54.15 2bx5 s GLN 37 Cb -0.08 -1.81 0.16 0.00 1.10 0.00 0.00 33.01 32.39 2bx5 s GLN 37 CO 0.24 0.37 0.43 -1.14 -0.55 0.00 0.00 175.29 174.64 2bx5 s GLN 38 N -2.95 0.43 0.88 1.67 0.74 -0.07 -1.12 119.66 119.24 2bx5 s GLN 38 Ca 0.24 0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.72 2bx5 s GLN 38 Cb -0.07 -0.23 0.03 0.00 1.10 0.00 0.00 33.01 33.84 2bx5 s GLN 38 CO 0.11 -1.02 0.59 1.63 -0.55 0.00 0.00 175.29 176.06 2bx5 n LYS 39 N 5.36 -0.10 -2.73 1.67 5.02 -1.26 -2.96 118.16 123.17 2bx5 n LYS 39 Ca 0.01 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 2bx5 n LYS 39 Cb 0.50 -1.96 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 2bx5 n LYS 39 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2bx5 s PRO 40 N -3.56 4.29 0.00 1.97 0.02 -1.26 -3.77 135.00 132.68 2bx5 s PRO 40 Ca 0.62 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2bx5 s PRO 40 Cb -0.26 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2bx5 s PRO 40 CO 0.62 0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.71 2bx5 n GLY 41 N -0.04 2.42 3.29 0.52 0.00 -1.26 -4.99 105.19 105.13 2bx5 n GLY 41 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2bx5 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bx5 s LYS 42 N -0.32 1.41 1.05 1.61 -2.85 -1.25 -5.16 119.74 114.23 2bx5 s LYS 42 Ca 0.00 -1.77 -0.16 0.00 -1.00 0.00 0.00 55.97 53.04 2bx5 s LYS 42 Cb 0.00 -0.10 0.09 0.00 -2.06 0.00 0.00 37.83 35.76 2bx5 s LYS 42 CO 0.00 -0.35 0.23 0.00 0.10 0.00 0.00 175.35 175.32 2bx5 n ALA 43 N -0.45 -3.42 -1.79 0.59 0.00 -1.26 -4.68 120.51 109.50 2bx5 n ALA 43 Ca 0.01 -1.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.05 2bx5 n ALA 43 Cb 0.66 -1.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2bx5 n ALA 43 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bx5 s PRO 44 N -3.58 4.84 0.26 0.00 0.02 -1.26 -4.48 135.00 130.80 2bx5 s PRO 44 Ca 0.57 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.89 2bx5 s PRO 44 Cb -0.16 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 2bx5 s PRO 44 CO 0.67 0.50 0.74 -1.59 -0.33 0.00 0.00 177.00 176.98 2bx5 s LYS 45 N -1.10 4.17 -0.17 5.54 0.00 -0.28 -4.95 119.74 122.94 2bx5 s LYS 45 Ca 0.41 0.81 -0.21 0.00 0.00 0.00 0.00 55.97 56.99 2bx5 s LYS 45 Cb -0.26 -2.71 -0.03 0.00 0.00 0.00 0.00 37.83 34.84 2bx5 s LYS 45 CO 0.32 0.30 0.61 -1.17 0.00 0.00 0.00 175.35 175.41 2bx5 s LEU 46 N -2.35 4.18 -0.23 2.77 1.98 -1.26 -1.51 118.68 122.25 2bx5 s LEU 46 Ca 0.47 0.86 -0.13 0.00 -2.89 0.00 0.00 54.13 52.44 2bx5 s LEU 46 Cb -0.14 -2.88 -0.10 0.00 0.66 0.00 0.00 46.19 43.73 2bx5 s LEU 46 CO 0.20 -0.22 -0.32 0.18 -1.89 0.00 0.00 176.35 174.30 2bx5 n LEU 47 N 4.74 1.75 -4.40 -0.68 4.77 -0.33 -4.85 117.00 118.01 2bx5 n LEU 47 Ca -0.02 0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 2bx5 n LEU 47 Cb 0.50 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 2bx5 n LEU 47 CO 0.44 0.37 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.69 2bx5 s ILE 48 N -2.51 2.36 0.40 -0.08 -1.09 -1.01 -1.59 121.20 117.68 2bx5 s ILE 48 Ca -0.33 -1.58 0.06 0.00 -2.23 0.00 0.00 60.65 56.57 2bx5 s ILE 48 Cb 0.12 -2.02 -0.08 0.00 -1.58 0.00 0.00 42.46 38.90 2bx5 s ILE 48 CO 0.42 0.18 0.02 -0.31 -1.23 0.00 0.00 174.94 174.03 2bx5 s TYR 49 N -1.00 2.42 -1.75 3.97 4.12 -1.04 -3.41 117.35 120.66 2bx5 s TYR 49 Ca 0.14 -0.72 -0.17 0.00 0.02 0.00 0.00 57.07 56.34 2bx5 s TYR 49 Cb -0.10 -1.69 0.16 0.00 -1.52 0.00 0.00 41.96 38.81 2bx5 s TYR 49 CO 0.06 0.37 0.56 0.00 0.02 0.00 0.00 175.55 176.56 2bx5 n ALA 50 N -0.92 -1.40 0.00 3.71 0.00 -1.14 0.30 120.51 121.06 2bx5 n ALA 50 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bx5 n ALA 50 Cb 0.67 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 -4.26 0.00 0.00 0.00 0.00 -0.80 -4.49 120.51 110.95 2bx5 n ALA 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2bx5 n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 1.12 -4.74 0.00 3.41 0.88 -3.77 113.62 110.52 2bx5 n SER 52 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2bx5 n SER 52 Cb 0.00 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.75 6.90 0.61 4.04 0.15 -1.00 -4.21 113.70 119.44 2bx5 s SER 53 Ca 0.00 2.44 -0.17 0.00 0.70 0.00 0.00 55.95 58.91 2bx5 s SER 53 Cb 0.00 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2bx5 s SER 53 CO 0.00 -0.51 1.16 -0.22 1.20 0.00 0.00 173.24 174.87 2bx5 s LEU 54 N -0.40 3.57 0.12 3.45 1.98 -1.26 -2.51 118.68 123.63 2bx5 s LEU 54 Ca 0.55 2.22 0.10 0.00 -2.89 0.00 0.00 54.13 54.12 2bx5 s LEU 54 Cb -0.37 -4.58 -0.04 0.00 0.66 0.00 0.00 46.19 41.86 2bx5 s LEU 54 CO 0.40 -1.59 -0.25 -1.10 -1.89 0.00 0.00 176.35 171.92 2bx5 s GLN 55 N -3.59 1.52 1.04 1.98 -0.21 -0.62 -4.90 119.66 114.87 2bx5 s GLN 55 Ca 0.73 -1.29 -0.17 0.00 0.02 0.00 0.00 55.36 54.64 2bx5 s GLN 55 Cb -0.26 -1.96 0.03 0.00 1.00 0.00 0.00 33.01 31.83 2bx5 s GLN 55 CO 0.35 0.46 -0.06 0.43 -2.12 0.00 0.00 175.29 174.35 2bx5 n SER 56 N 0.93 -2.63 0.00 5.90 7.64 -1.26 -2.01 113.62 122.18 2bx5 n SER 56 Ca -0.17 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2bx5 n SER 56 Cb 0.53 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 2.09 1.66 3.58 0.23 0.00 -1.26 -4.94 105.19 106.55 2bx5 n GLY 57 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2bx5 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bx5 s VAL 58 N -0.32 5.02 0.26 1.61 1.01 -0.85 -5.05 120.40 122.07 2bx5 s VAL 58 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2bx5 s VAL 58 Cb 0.00 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2bx5 s VAL 58 CO 0.00 -0.10 1.34 -0.81 0.00 0.00 0.00 175.10 175.53 2bx5 n PRO 59 N 5.71 1.95 0.00 2.72 -0.04 -1.26 -4.85 135.00 139.23 2bx5 n PRO 59 Ca -0.04 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2bx5 n PRO 59 Cb 0.49 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 1.82 0.59 0.00 3.54 3.41 -1.26 -3.34 113.62 118.38 2bx5 n SER 60 Ca 0.10 -1.74 0.07 0.00 -0.26 0.00 0.00 58.87 57.05 2bx5 n SER 60 Cb 0.32 -0.30 0.44 0.00 -0.26 0.00 0.00 64.21 64.41 2bx5 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2bx5 n ARG 61 N -0.11 0.54 -3.89 4.33 1.85 -1.26 -4.75 116.66 113.35 2bx5 n ARG 61 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 2bx5 n ARG 61 Cb 0.15 -1.43 -0.14 0.00 -1.05 0.00 0.00 32.46 29.99 2bx5 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2bx5 s PHE 62 N -2.00 3.04 0.34 2.89 0.40 -1.21 -2.58 117.98 118.86 2bx5 s PHE 62 Ca 0.22 -1.16 0.07 0.00 -0.60 0.00 0.00 56.93 55.46 2bx5 s PHE 62 Cb 0.10 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 2bx5 s PHE 62 CO 0.17 -0.62 0.31 -1.13 0.70 0.00 0.00 175.22 174.65 2bx5 n SER 63 N 4.77 -0.78 -3.74 1.36 3.41 -1.26 -4.83 113.62 112.54 2bx5 n SER 63 Ca -0.17 -3.22 -0.10 0.00 -0.26 0.00 0.00 58.87 55.12 2bx5 n SER 63 Cb 0.49 1.79 -0.04 0.00 -0.26 0.00 0.00 64.21 66.18 2bx5 n SER 63 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bx5 s GLY 64 N -3.37 -0.07 -0.03 5.00 0.00 -1.26 -3.59 107.32 104.00 2bx5 s GLY 64 Ca 0.40 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 2bx5 s GLY 64 CO 0.28 -0.35 0.99 -1.35 0.00 0.00 0.00 173.10 172.67 2bx5 s SER 65 N -2.87 -0.27 0.04 1.64 1.04 -1.25 -4.53 113.70 107.50 2bx5 s SER 65 Ca 0.09 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2bx5 s SER 65 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2bx5 s SER 65 CO -0.05 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2bx5 n GLY 66 N -0.25 -2.80 3.51 7.32 0.00 -1.26 -4.23 105.19 107.48 2bx5 n GLY 66 Ca -0.06 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.47 3.93 0.00 1.61 0.15 -1.26 -4.93 113.70 109.72 2bx5 s SER 67 Ca 0.00 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2bx5 s SER 67 Cb 0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2bx5 s SER 67 CO 0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2bx5 n GLY 68 N 0.04 1.98 2.03 9.45 0.00 -1.24 -4.68 105.19 112.76 2bx5 n GLY 68 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2bx5 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bx5 n THR 69 N 0.00 0.00 -3.32 2.61 -2.24 -1.26 0.11 114.28 110.18 2bx5 n THR 69 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2bx5 n THR 69 Cb 0.00 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 2bx5 n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bx5 s ASP 70 N -4.01 6.57 0.05 3.42 2.15 -1.26 -0.29 116.67 123.30 2bx5 s ASP 70 Ca 0.00 0.68 0.01 0.00 0.43 0.00 0.00 52.55 53.66 2bx5 s ASP 70 Cb 0.00 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.32 2bx5 s ASP 70 CO 0.00 -0.08 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.50 2bx5 s PHE 71 N 1.16 0.61 -0.05 -5.34 0.40 0.45 -4.68 117.98 110.53 2bx5 s PHE 71 Ca 0.23 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 2bx5 s PHE 71 Cb -0.15 -0.38 0.03 0.00 0.51 0.00 0.00 43.02 43.03 2bx5 s PHE 71 CO 0.09 -0.19 0.05 0.99 0.70 0.00 0.00 175.22 176.86 2bx5 s THR 72 N -2.55 0.00 -0.25 0.64 2.01 -1.26 0.34 115.64 114.57 2bx5 s THR 72 Ca -0.02 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 2bx5 s THR 72 Cb -0.02 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 2bx5 s THR 72 CO -0.04 0.20 0.03 -0.22 -0.69 0.00 0.00 174.62 173.90 2bx5 s LEU 73 N 2.08 3.30 -0.58 4.42 2.96 0.72 -4.08 118.68 127.50 2bx5 s LEU 73 Ca 0.04 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2bx5 s LEU 73 Cb -0.12 -1.84 0.22 0.00 0.50 0.00 0.00 46.19 44.94 2bx5 s LEU 73 CO -0.03 -0.06 0.58 0.35 -1.32 0.00 0.00 176.35 175.87 2bx5 n THR 74 N 4.86 1.11 -1.65 3.68 -2.24 -1.24 -0.35 114.28 118.46 2bx5 n THR 74 Ca -0.17 -4.66 -0.57 0.00 -2.27 0.00 0.00 64.05 56.39 2bx5 n THR 74 Cb 0.51 -2.04 -0.07 0.00 -2.10 0.00 0.00 70.33 66.63 2bx5 n THR 74 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2bx5 n ILE 75 N 1.53 0.13 -0.03 2.28 5.41 -0.42 -4.45 119.36 123.81 2bx5 n ILE 75 Ca 0.25 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.87 2bx5 n ILE 75 Cb 0.43 -0.88 -0.14 0.00 -0.71 0.00 0.00 39.64 38.33 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 3.82 1.05 -3.57 4.38 3.41 -1.07 0.15 113.62 121.80 2bx5 n SER 76 Ca 0.23 0.33 -0.28 0.00 -0.26 0.00 0.00 58.87 58.89 2bx5 n SER 76 Cb 0.13 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 -6.22 3.35 0.78 4.04 1.04 -1.12 -3.04 113.70 112.52 2bx5 s SER 77 Ca -0.09 -1.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.03 2bx5 s SER 77 Cb 0.08 -0.36 0.06 0.00 0.10 0.00 0.00 66.02 65.90 2bx5 s SER 77 CO 0.81 -0.42 1.15 -0.22 0.98 0.00 0.00 173.24 175.54 2bx5 s LEU 78 N 2.08 3.14 -0.02 2.42 2.96 -1.02 -4.70 118.68 123.54 2bx5 s LEU 78 Ca 0.08 2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 56.10 2bx5 s LEU 78 Cb -0.16 -4.56 0.01 0.00 0.50 0.00 0.00 46.19 41.98 2bx5 s LEU 78 CO -0.31 -2.32 0.04 -1.10 -1.32 0.00 0.00 176.35 171.33 2bx5 s GLN 79 N -4.37 0.02 0.44 1.98 -1.52 -1.26 -2.77 119.66 112.17 2bx5 s GLN 79 Ca 0.68 0.09 0.10 0.00 -1.95 0.00 0.00 55.36 54.28 2bx5 s GLN 79 Cb -0.23 -0.06 0.54 0.00 -0.22 0.00 0.00 33.01 33.04 2bx5 s GLN 79 CO 0.50 -0.05 1.19 -1.35 -0.25 0.00 0.00 175.29 175.34 2bx5 h PRO 80 N 6.45 0.00 -0.01 2.91 0.11 -2.00 1.43 132.00 140.89 2bx5 h PRO 80 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2bx5 h PRO 80 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bx5 h PRO 80 CO 0.49 0.00 -0.47 -0.85 -0.21 0.00 0.00 178.00 176.96 2bx5 n GLU 81 N -2.18 0.86 0.00 1.05 0.28 -1.26 -4.38 120.64 115.00 2bx5 n GLU 81 Ca -0.01 -0.64 0.13 0.00 -0.16 0.00 0.00 57.16 56.49 2bx5 n GLU 81 Cb 0.57 -1.49 0.48 0.00 1.43 0.00 0.00 31.44 32.43 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 -0.51 0.82 -4.56 -1.84 8.00 0.49 -4.81 116.55 114.14 2bx5 n ASP 82 Ca 0.09 -0.79 -0.27 0.00 0.71 0.00 0.00 54.79 54.53 2bx5 n ASP 82 Cb 0.40 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 2bx5 n ASP 82 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2bx5 s PHE 83 N -2.47 1.60 -0.00 1.24 -0.12 -1.26 -4.81 117.98 112.16 2bx5 s PHE 83 Ca 0.27 1.00 -0.29 0.00 -0.05 0.00 0.00 56.93 57.86 2bx5 s PHE 83 Cb 0.20 -3.90 0.08 0.00 -0.63 0.00 0.00 43.02 38.77 2bx5 s PHE 83 CO 0.49 -1.86 0.71 0.00 -0.05 0.00 0.00 175.22 174.51 2bx5 s ALA 84 N 11.02 -1.75 0.64 1.99 0.00 -1.25 -4.70 121.76 127.71 2bx5 s ALA 84 Ca 0.76 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 2bx5 s ALA 84 Cb -0.10 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2bx5 s ALA 84 CO 0.06 -0.49 1.09 0.99 0.00 0.00 0.00 175.76 177.41 2bx5 s THR 85 N -2.02 3.42 0.14 0.00 2.01 -1.15 -3.49 115.64 114.55 2bx5 s THR 85 Ca -0.06 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.68 2bx5 s THR 85 Cb -0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2bx5 s THR 85 CO 0.01 -0.41 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.06 2bx5 s TYR 86 N -2.37 1.63 0.06 4.92 1.51 -1.11 -0.89 117.35 121.10 2bx5 s TYR 86 Ca 0.66 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2bx5 s TYR 86 Cb -0.19 -0.84 -0.00 0.00 -0.11 0.00 0.00 41.96 40.82 2bx5 s TYR 86 CO 0.40 0.23 0.06 0.66 -1.11 0.00 0.00 175.55 175.79 2bx5 n TYR 87 N 0.51 -0.25 -1.93 2.71 4.01 -0.37 -2.89 117.16 118.95 2bx5 n TYR 87 Ca -0.15 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 2bx5 n TYR 87 Cb 0.57 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 2bx5 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bx5 n GLN 89 N 0.00 0.00 -4.70 0.00 7.27 -1.26 -3.27 117.38 115.43 2bx5 n GLN 89 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 2bx5 n GLN 89 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 2bx5 n GLN 89 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 2bx5 s PHE 98 N 0.00 2.86 0.79 3.69 5.36 -1.26 -4.33 117.98 125.09 2bx5 s PHE 98 Ca 0.00 -0.26 -0.07 0.00 -0.96 0.00 0.00 56.93 55.64 2bx5 s PHE 98 Cb 0.00 -1.77 0.13 0.00 -0.34 0.00 0.00 43.02 41.04 2bx5 s PHE 98 CO 0.00 0.08 1.10 0.20 -1.46 0.00 0.00 175.22 175.14 2bx5 s GLY 99 N -0.27 1.75 -0.02 13.12 0.00 -1.20 -4.84 107.32 115.86 2bx5 s GLY 99 Ca 0.03 -1.37 -0.14 0.00 0.00 0.00 0.00 44.72 43.23 2bx5 s GLY 99 CO 0.03 -0.79 0.66 0.06 0.00 0.00 0.00 173.10 173.06 2bx5 h GLN 100 N -0.88 -0.50 0.00 2.90 -0.00 -1.91 -3.46 115.11 111.27 2bx5 h GLN 100 Ca -0.41 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2bx5 h GLN 100 Cb 1.27 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.86 2bx5 h GLN 100 CO 0.44 -0.33 0.00 0.41 -0.00 0.00 0.00 178.83 179.35 2bx5 n GLY 101 N 0.30 0.85 3.15 0.06 0.00 -1.25 -5.02 105.19 103.28 2bx5 n GLY 101 Ca -0.06 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.17 -0.74 -1.32 2.61 2.01 -1.14 -4.77 115.64 110.12 2bx5 s THR 102 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2bx5 s THR 102 Cb 0.00 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2bx5 s THR 102 CO 0.00 0.00 1.82 0.29 -0.69 0.00 0.00 174.62 176.04 2bx5 n LYS 103 N 5.44 3.09 -0.77 4.92 4.76 -1.03 -2.73 118.16 131.84 2bx5 n LYS 103 Ca -0.03 -3.14 -0.37 0.00 -2.87 0.00 0.00 58.31 51.89 2bx5 n LYS 103 Cb 0.52 -3.47 -0.07 0.00 -1.84 0.00 0.00 35.03 30.17 2bx5 n LYS 103 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2bx5 n VAL 104 N 6.23 1.08 -0.77 -0.18 0.31 -1.23 -3.27 118.33 120.51 2bx5 n VAL 104 Ca 0.49 -0.87 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 2bx5 n VAL 104 Cb 0.45 -2.11 0.15 0.00 -0.91 0.00 0.00 33.84 31.42 2bx5 n VAL 104 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2bx5 n GLU 105 N 6.85 -0.33 0.00 5.55 4.07 0.11 -3.79 120.64 133.10 2bx5 n GLU 105 Ca 0.43 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2bx5 n GLU 105 Cb 0.34 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.51 2bx5 n GLU 105 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58