#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 4.37 -0.09 2.12 -1.09 -1.26 -4.95 121.20 120.30 2bx5 s ILE 2 Ca 0.00 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2bx5 s ILE 2 Cb 0.00 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2bx5 s ILE 2 CO 0.00 0.28 -0.21 -1.10 -1.23 0.00 0.00 174.94 172.68 2bx5 s GLN 3 N -1.88 2.70 -0.19 2.79 -1.52 -1.26 -4.90 119.66 115.41 2bx5 s GLN 3 Ca 0.23 -0.77 -0.02 0.00 -1.95 0.00 0.00 55.36 52.85 2bx5 s GLN 3 Cb -0.12 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.58 2bx5 s GLN 3 CO 0.15 0.16 -0.09 -1.64 -0.25 0.00 0.00 175.29 173.62 2bx5 s MET 4 N 0.38 3.34 -0.29 2.91 -1.94 -1.26 -2.47 119.30 119.96 2bx5 s MET 4 Ca -0.17 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2bx5 s MET 4 Cb -0.17 -2.85 0.09 0.00 2.01 0.00 0.00 34.83 33.91 2bx5 s MET 4 CO 0.07 -0.07 0.05 0.95 -0.01 0.00 0.00 175.02 176.01 2bx5 s THR 5 N 1.11 1.35 0.00 2.05 -4.23 0.09 -4.30 115.64 111.71 2bx5 s THR 5 Ca 0.01 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 2bx5 s THR 5 Cb -0.15 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2bx5 s THR 5 CO -0.02 -0.49 -0.04 0.00 -0.54 0.00 0.00 174.62 173.53 2bx5 s GLN 6 N 1.41 2.64 -0.10 3.99 -2.07 -1.26 -2.05 119.66 122.22 2bx5 s GLN 6 Ca 0.06 -0.68 -0.10 0.00 -1.82 0.00 0.00 55.36 52.81 2bx5 s GLN 6 Cb -0.18 -2.56 0.03 0.00 -1.09 0.00 0.00 33.01 29.20 2bx5 s GLN 6 CO -0.15 0.61 0.29 -1.54 -1.32 0.00 0.00 175.29 173.18 2bx5 s SER 7 N -1.46 -0.29 0.63 12.60 1.04 0.10 -4.34 113.70 121.99 2bx5 s SER 7 Ca 0.18 0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.99 2bx5 s SER 7 Cb -0.11 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 2bx5 s SER 7 CO 0.08 -0.13 1.08 -2.84 0.98 0.00 0.00 173.24 172.41 2bx5 s PRO 8 N 0.01 3.05 0.00 4.02 0.02 -1.26 -0.69 135.00 140.15 2bx5 s PRO 8 Ca -0.01 1.26 0.19 0.00 0.02 0.00 0.00 61.00 62.46 2bx5 s PRO 8 Cb -0.02 -1.99 1.15 0.00 0.02 0.00 0.00 34.50 33.65 2bx5 s PRO 8 CO 0.01 -1.03 1.68 0.45 -0.33 0.00 0.00 177.00 177.78 2bx5 n SER 9 N -2.30 0.00 0.00 2.53 2.88 -1.26 -4.65 113.62 110.82 2bx5 n SER 9 Ca 0.09 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2bx5 n SER 9 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2bx5 n SER 9 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bx5 n SER 10 N -0.83 0.00 -3.74 -3.46 2.88 -1.26 -3.99 113.62 103.22 2bx5 n SER 10 Ca 0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 2bx5 n SER 10 Cb 0.07 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 2bx5 n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2bx5 s LEU 11 N 0.00 0.57 -0.12 2.46 1.02 -1.14 -4.93 118.68 116.54 2bx5 s LEU 11 Ca 0.00 0.72 -0.05 0.00 0.02 0.00 0.00 54.13 54.82 2bx5 s LEU 11 Cb 0.00 1.30 0.06 0.00 0.02 0.00 0.00 46.19 47.57 2bx5 s LEU 11 CO 0.00 -0.16 0.25 -0.44 0.02 0.00 0.00 176.35 176.03 2bx5 s SER 12 N 0.09 0.27 0.00 2.29 0.01 -1.26 -2.61 113.70 112.49 2bx5 s SER 12 Ca -0.01 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2bx5 s SER 12 Cb -0.03 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2bx5 s SER 12 CO 0.01 -0.23 0.00 0.00 0.41 0.00 0.00 173.24 173.43 2bx5 n ALA 13 N 5.16 0.00 -2.22 1.44 0.00 -1.13 -5.01 120.51 118.74 2bx5 n ALA 13 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2bx5 n ALA 13 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2bx5 n ALA 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bx5 s SER 14 N 1.00 0.31 0.40 0.00 1.04 -1.26 -4.44 113.70 110.75 2bx5 s SER 14 Ca 0.00 -1.42 -0.22 0.00 0.48 0.00 0.00 55.95 54.79 2bx5 s SER 14 Cb 0.00 0.40 -0.15 0.00 0.10 0.00 0.00 66.02 66.37 2bx5 s SER 14 CO 0.00 -0.87 0.16 0.52 0.98 0.00 0.00 173.24 174.03 2bx5 n VAL 15 N -0.31 0.85 -1.18 5.02 0.31 -1.26 -2.09 118.33 119.66 2bx5 n VAL 15 Ca 0.03 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.79 2bx5 n VAL 15 Cb 0.66 -0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 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 2.25 0.67 3.85 2.92 0.00 -0.99 -4.83 105.19 109.07 2bx5 n GLY 16 Ca 0.11 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2bx5 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bx5 s ASP 17 N -2.29 5.71 -0.36 1.61 3.68 -0.89 -4.73 116.67 119.40 2bx5 s ASP 17 Ca 0.00 -0.14 -0.14 0.00 2.13 0.00 0.00 52.55 54.40 2bx5 s ASP 17 Cb 0.00 -1.52 -0.00 0.00 -1.45 0.00 0.00 42.92 39.94 2bx5 s ASP 17 CO 0.00 -0.02 0.26 -0.60 0.13 0.00 0.00 175.17 174.94 2bx5 s ARG 18 N -3.68 3.30 -0.21 4.34 3.52 -1.23 -2.36 118.95 122.63 2bx5 s ARG 18 Ca 0.33 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 55.03 2bx5 s ARG 18 Cb -0.09 -3.87 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 2bx5 s ARG 18 CO 0.26 -0.55 0.20 0.08 -0.81 0.00 0.00 175.30 174.47 2bx5 s VAL 19 N 1.71 5.35 -0.20 7.11 1.01 -0.35 -4.97 120.40 130.06 2bx5 s VAL 19 Ca 0.06 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2bx5 s VAL 19 Cb -0.18 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2bx5 s VAL 19 CO 0.10 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.57 2bx5 s THR 20 N 0.78 1.71 0.00 3.92 2.01 -1.26 -0.53 115.64 122.28 2bx5 s THR 20 Ca 0.10 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2bx5 s THR 20 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2bx5 s THR 20 CO 0.03 0.20 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.27 2bx5 s ILE 21 N 1.37 2.13 0.10 1.82 1.01 -0.94 -4.54 121.20 122.16 2bx5 s ILE 21 Ca -0.01 -1.20 0.09 0.00 0.00 0.00 0.00 60.65 59.52 2bx5 s ILE 21 Cb -0.16 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2bx5 s ILE 21 CO -0.08 0.50 -0.19 0.42 0.00 0.00 0.00 174.94 175.58 2bx5 s THR 22 N -0.69 2.77 -0.09 2.92 -4.23 0.13 -0.59 115.64 115.87 2bx5 s THR 22 Ca 0.11 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 2bx5 s THR 22 Cb -0.10 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2bx5 s THR 22 CO 0.00 0.15 0.32 0.00 -0.54 0.00 0.00 174.62 174.55 2bx5 s ARG 24 N -0.34 0.83 0.03 0.00 3.52 -0.87 -0.65 118.95 121.48 2bx5 s ARG 24 Ca -0.05 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 2bx5 s ARG 24 Cb -0.03 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 2bx5 s ARG 24 CO 0.02 -0.26 0.08 0.00 -0.81 0.00 0.00 175.30 174.33 2bx5 s ALA 25 N -1.75 3.59 0.27 6.12 0.00 0.15 -0.73 121.76 129.42 2bx5 s ALA 25 Ca -0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 2bx5 s ALA 25 Cb -0.03 -1.53 0.36 0.00 0.00 0.00 0.00 23.12 21.92 2bx5 s ALA 25 CO 0.03 0.72 1.94 0.66 0.00 0.00 0.00 175.76 179.10 2bx5 h SER 26 N 3.77 1.05 -3.46 0.00 4.64 -1.79 -3.44 113.55 114.33 2bx5 h SER 26 Ca -0.48 -0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.16 2bx5 h SER 26 Cb 1.17 -0.26 -0.26 0.00 -0.31 0.00 0.00 62.40 62.75 2bx5 h SER 26 CO 0.64 0.75 -0.70 -1.58 -0.87 0.00 0.00 176.83 175.07 2bx5 s GLN 27 N -6.03 3.46 -0.88 4.77 2.00 -1.26 -5.00 119.66 116.72 2bx5 s GLN 27 Ca -0.12 -0.58 -0.19 0.00 -2.00 0.00 0.00 55.36 52.47 2bx5 s GLN 27 Cb 0.18 -3.08 -0.23 0.00 0.80 0.00 0.00 33.01 30.68 2bx5 s GLN 27 CO 0.81 -0.17 2.33 -1.13 -0.50 0.00 0.00 175.29 176.62 2bx5 n SER 28 N 4.76 0.25 -0.72 6.67 3.41 -1.26 -4.66 113.62 122.08 2bx5 n SER 28 Ca -0.18 -0.83 0.01 0.00 -0.26 0.00 0.00 58.87 57.61 2bx5 n SER 28 Cb 0.51 -1.09 0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2bx5 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bx5 n ILE 29 N 7.16 0.50 0.00 -1.33 3.06 0.71 -4.86 119.36 124.59 2bx5 n ILE 29 Ca 0.57 -0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.56 2bx5 n ILE 29 Cb 0.27 -0.41 0.00 0.00 0.54 0.00 0.00 39.64 40.05 2bx5 n ILE 29 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2bx5 n SER 30 N 0.10 0.00 0.00 9.51 2.88 -1.24 -3.01 113.62 121.87 2bx5 n SER 30 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2bx5 n SER 30 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 0.00 -3.38 -3.46 2.88 -1.26 -4.00 113.62 104.40 2bx5 n SER 31 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2bx5 n SER 31 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 0.72 -4.03 0.66 4.02 -1.16 -2.32 117.16 115.04 2bx5 n TYR 32 Ca 0.00 -1.08 -0.35 0.00 -0.01 0.00 0.00 57.90 56.46 2bx5 n TYR 32 Cb 0.00 -1.12 -0.12 0.00 -0.02 0.00 0.00 39.34 38.09 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 0.34 3.48 -0.16 7.72 2.96 -1.26 -1.05 118.68 130.71 2bx5 s LEU 33 Ca 0.47 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 2bx5 s LEU 33 Cb 0.11 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2bx5 s LEU 33 CO 0.15 0.09 -0.07 0.20 -1.32 0.00 0.00 176.35 175.41 2bx5 s ASN 34 N 0.84 4.42 -0.39 3.68 0.01 0.58 -2.46 114.94 121.63 2bx5 s ASN 34 Ca 0.02 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.79 2bx5 s ASN 34 Cb -0.14 -1.71 0.02 0.00 0.41 0.00 0.00 41.25 39.83 2bx5 s ASN 34 CO 0.02 0.13 0.25 0.26 -1.51 0.00 0.00 177.10 176.25 2bx5 s TRP 35 N 0.60 3.24 0.19 2.20 0.52 -0.58 0.12 118.94 125.22 2bx5 s TRP 35 Ca -0.05 -0.73 0.03 0.00 0.02 0.00 0.00 56.10 55.38 2bx5 s TRP 35 Cb -0.15 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.69 2bx5 s TRP 35 CO 0.03 -0.60 0.26 0.66 0.02 0.00 0.00 176.95 177.32 2bx5 n TYR 36 N 5.08 -2.81 -3.64 -1.98 4.02 0.88 -2.38 117.16 116.34 2bx5 n TYR 36 Ca -0.12 -0.67 -0.03 0.00 -0.01 0.00 0.00 57.90 57.07 2bx5 n TYR 36 Cb 0.47 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.55 2bx5 n TYR 36 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2bx5 s GLN 37 N -2.87 0.61 -0.29 -0.72 0.74 -1.13 -3.32 119.66 112.69 2bx5 s GLN 37 Ca 0.20 1.31 0.03 0.00 0.05 0.00 0.00 55.36 56.94 2bx5 s GLN 37 Cb -0.02 0.53 0.08 0.00 1.10 0.00 0.00 33.01 34.70 2bx5 s GLN 37 CO 0.13 -0.17 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.52 2bx5 s GLN 38 N 2.31 1.79 0.84 1.67 0.74 0.86 0.11 119.66 127.98 2bx5 s GLN 38 Ca -0.08 -1.51 -0.16 0.00 0.05 0.00 0.00 55.36 53.67 2bx5 s GLN 38 Cb -0.09 -2.94 -0.07 0.00 1.10 0.00 0.00 33.01 31.01 2bx5 s GLN 38 CO -0.19 -0.74 -0.04 1.63 -0.55 0.00 0.00 175.29 175.40 2bx5 n LYS 39 N 4.41 0.01 -1.22 1.67 4.76 -1.25 -1.79 118.16 124.75 2bx5 n LYS 39 Ca -0.06 0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 55.05 2bx5 n LYS 39 Cb 0.42 -1.44 -0.09 0.00 -1.84 0.00 0.00 35.03 32.09 2bx5 n LYS 39 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2bx5 n PRO 40 N 0.43 0.86 0.00 1.97 -0.02 -1.26 -3.10 135.00 133.88 2bx5 n PRO 40 Ca 0.05 -1.71 0.00 0.00 -2.02 0.00 0.00 63.50 59.82 2bx5 n PRO 40 Cb 0.52 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 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 5.18 2.72 0.00 -1.23 0.00 -1.26 -5.05 105.19 105.55 2bx5 n GLY 41 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.82 2.54 -4.18 1.61 4.76 -1.18 -5.07 118.16 115.82 2bx5 n LYS 42 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2bx5 n LYS 42 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 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 -2.04 1.05 -0.99 7.82 0.00 -1.26 -4.83 121.76 121.51 2bx5 s ALA 43 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 2bx5 s ALA 43 Cb 0.00 1.35 -0.12 0.00 0.00 0.00 0.00 23.12 24.36 2bx5 s ALA 43 CO 0.00 -0.63 2.09 -2.14 0.00 0.00 0.00 175.76 175.07 2bx5 s PRO 44 N -4.05 2.02 -0.23 0.00 0.02 -1.24 -3.85 135.00 127.67 2bx5 s PRO 44 Ca 0.37 -0.36 -0.28 0.00 0.02 0.00 0.00 61.00 60.75 2bx5 s PRO 44 Cb 0.05 -5.03 0.00 0.00 0.02 0.00 0.00 34.50 29.55 2bx5 s PRO 44 CO 0.13 -4.25 0.97 0.15 -0.33 0.00 0.00 177.00 173.68 2bx5 s LYS 45 N 7.63 4.24 0.45 5.54 1.02 0.31 -4.74 119.74 134.20 2bx5 s LYS 45 Ca 0.77 1.23 -0.24 0.00 0.02 0.00 0.00 55.97 57.76 2bx5 s LYS 45 Cb -0.06 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 2bx5 s LYS 45 CO 0.09 -0.58 1.21 -1.17 -0.92 0.00 0.00 175.35 173.98 2bx5 s LEU 46 N 3.02 4.05 0.00 3.17 2.96 -1.26 -2.82 118.68 127.80 2bx5 s LEU 46 Ca 0.41 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 2bx5 s LEU 46 Cb -0.15 -4.16 0.00 0.00 0.50 0.00 0.00 46.19 42.38 2bx5 s LEU 46 CO 0.07 -0.94 0.00 0.18 -1.32 0.00 0.00 176.35 174.34 2bx5 n LEU 47 N -0.37 0.57 -4.29 -0.68 4.77 -1.00 -4.89 117.00 111.11 2bx5 n LEU 47 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 2bx5 n LEU 47 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2bx5 n LEU 47 CO 0.50 -0.06 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.42 2bx5 s ILE 48 N -1.82 1.53 0.00 -0.08 -1.09 -1.15 -2.22 121.20 116.37 2bx5 s ILE 48 Ca 0.00 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 2bx5 s ILE 48 Cb 0.00 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 2bx5 s ILE 48 CO 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 174.94 173.26 2bx5 n TYR 49 N 0.23 -0.49 -4.14 3.97 0.18 -1.15 -1.53 117.16 114.23 2bx5 n TYR 49 Ca -0.13 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.28 2bx5 n TYR 49 Cb 0.58 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.47 2bx5 n TYR 49 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2bx5 n ALA 50 N -3.00 -1.09 0.00 -3.48 0.00 -1.25 -0.67 120.51 111.03 2bx5 n ALA 50 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2bx5 n ALA 50 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 -3.61 0.00 0.00 0.00 0.00 -0.98 -3.81 120.51 112.12 2bx5 n ALA 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2bx5 n ALA 51 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -4.77 0.00 3.41 0.16 -4.07 113.62 108.35 2bx5 n SER 52 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2bx5 n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2bx5 n SER 52 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bx5 s SER 53 N -1.67 7.43 0.32 4.04 1.04 -1.03 -4.45 113.70 119.37 2bx5 s SER 53 Ca 0.00 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.36 2bx5 s SER 53 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 2bx5 s SER 53 CO 0.00 -0.00 0.48 -0.22 0.98 0.00 0.00 173.24 174.48 2bx5 s LEU 54 N -1.73 4.07 0.45 2.42 2.96 -1.26 -2.95 118.68 122.63 2bx5 s LEU 54 Ca 0.47 0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 2bx5 s LEU 54 Cb -0.22 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.47 2bx5 s LEU 54 CO 0.27 -0.29 0.54 -1.10 -1.32 0.00 0.00 176.35 174.46 2bx5 s GLN 55 N -4.19 2.65 0.01 1.98 -1.52 -0.94 -4.99 119.66 112.66 2bx5 s GLN 55 Ca 0.40 -1.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.09 2bx5 s GLN 55 Cb -0.09 -2.61 -0.04 0.00 -0.22 0.00 0.00 33.01 30.05 2bx5 s GLN 55 CO 0.33 -0.35 1.06 -1.12 -0.25 0.00 0.00 175.29 174.95 2bx5 s SER 56 N -4.33 7.26 0.00 5.90 0.01 -1.26 -3.50 113.70 117.78 2bx5 s SER 56 Ca 0.53 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.57 2bx5 s SER 56 Cb -0.07 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2bx5 s SER 56 CO 0.32 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2bx5 n GLY 57 N 3.03 2.86 3.64 3.44 0.00 -1.26 -5.05 105.19 111.85 2bx5 n GLY 57 Ca 0.07 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 3.40 0.97 1.61 0.11 -1.23 -4.95 120.40 120.32 2bx5 s VAL 58 Ca 0.00 0.46 -0.14 0.00 -2.93 0.00 0.00 61.98 59.37 2bx5 s VAL 58 Cb 0.00 -3.38 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 2bx5 s VAL 58 CO 0.00 -0.13 0.07 -2.65 -3.33 0.00 0.00 175.10 169.06 2bx5 n PRO 59 N 7.71 -0.24 -1.20 1.54 -0.02 -1.26 -4.66 135.00 136.87 2bx5 n PRO 59 Ca 0.21 -0.04 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 2bx5 n PRO 59 Cb 0.44 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 2bx5 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bx5 n SER 60 N -0.05 6.21 0.00 2.55 3.41 -1.26 -3.60 113.62 120.89 2bx5 n SER 60 Ca 0.04 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 2bx5 n SER 60 Cb 0.55 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 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 1.03 -0.06 -3.36 4.33 1.85 -1.26 -4.99 116.66 114.19 2bx5 n ARG 61 Ca 0.40 -0.05 -0.39 0.00 -1.00 0.00 0.00 57.85 56.81 2bx5 n ARG 61 Cb 0.62 -0.53 -0.09 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.00 3.24 0.21 2.89 0.40 -1.24 -2.45 117.98 121.03 2bx5 s PHE 62 Ca 0.00 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 2bx5 s PHE 62 Cb 0.00 -2.62 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 2bx5 s PHE 62 CO 0.00 -0.27 0.06 -1.54 0.70 0.00 0.00 175.22 174.18 2bx5 s SER 63 N 1.64 1.01 -0.29 1.36 1.04 -0.85 -4.91 113.70 112.71 2bx5 s SER 63 Ca 0.16 -1.29 -0.03 0.00 0.48 0.00 0.00 55.95 55.26 2bx5 s SER 63 Cb -0.16 0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.24 2bx5 s SER 63 CO 0.10 -0.68 0.12 -0.83 0.98 0.00 0.00 173.24 172.93 2bx5 s GLY 64 N -3.22 0.65 0.73 7.32 0.00 -1.26 -1.56 107.32 109.97 2bx5 s GLY 64 Ca 0.32 -1.22 -0.10 0.00 0.00 0.00 0.00 44.72 43.72 2bx5 s GLY 64 CO 0.09 1.93 1.09 -1.35 0.00 0.00 0.00 173.10 174.86 2bx5 s SER 65 N 1.97 5.04 0.00 1.64 1.04 -1.16 -3.90 113.70 118.32 2bx5 s SER 65 Ca 0.09 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2bx5 s SER 65 Cb -0.16 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2bx5 s SER 65 CO -0.33 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 172.96 2bx5 n GLY 66 N -3.06 4.08 3.03 7.32 0.00 -1.26 -3.19 105.19 112.11 2bx5 n GLY 66 Ca 0.07 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2bx5 n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bx5 n SER 67 N 0.00 5.77 -1.30 1.61 2.88 -1.25 -4.90 113.62 116.44 2bx5 n SER 67 Ca 0.00 -3.31 -0.17 0.00 -1.33 0.00 0.00 58.87 54.06 2bx5 n SER 67 Cb 0.00 -1.22 -0.07 0.00 -0.75 0.00 0.00 64.21 62.17 2bx5 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bx5 n GLY 68 N 1.66 1.64 0.00 0.46 0.00 -1.26 -4.68 105.19 103.01 2bx5 n GLY 68 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2bx5 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bx5 n THR 69 N -2.38 0.00 -4.69 2.61 5.66 -1.26 -0.21 114.28 114.00 2bx5 n THR 69 Ca -0.17 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.59 2bx5 n THR 69 Cb 0.62 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.25 2bx5 n THR 69 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2bx5 s ASP 70 N -0.74 2.09 0.21 1.09 -4.77 -1.26 -0.67 116.67 112.62 2bx5 s ASP 70 Ca 0.00 -0.40 0.02 0.00 -3.30 0.00 0.00 52.55 48.88 2bx5 s ASP 70 Cb 0.00 -0.20 -0.01 0.00 -1.09 0.00 0.00 42.92 41.62 2bx5 s ASP 70 CO 0.00 0.17 0.08 0.49 0.70 0.00 0.00 175.17 176.61 2bx5 n PHE 71 N 2.30 0.03 -3.50 2.11 3.01 0.18 -3.76 117.46 117.84 2bx5 n PHE 71 Ca -0.16 -1.39 0.01 0.00 1.01 0.00 0.00 57.45 56.91 2bx5 n PHE 71 Cb 0.54 0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.98 2bx5 n PHE 71 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2bx5 s THR 72 N -2.38 -0.84 -0.41 4.37 -1.32 -1.19 -2.84 115.64 111.03 2bx5 s THR 72 Ca 0.12 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 2bx5 s THR 72 Cb 0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.02 2bx5 s THR 72 CO 0.08 0.00 1.12 -0.22 -2.21 0.00 0.00 174.62 173.39 2bx5 s LEU 73 N 2.78 3.77 -0.13 9.08 0.20 0.25 -2.98 118.68 131.64 2bx5 s LEU 73 Ca -0.01 0.74 -0.13 0.00 0.69 0.00 0.00 54.13 55.42 2bx5 s LEU 73 Cb -0.11 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.06 2bx5 s LEU 73 CO -0.19 -1.09 0.28 0.28 -0.29 0.00 0.00 176.35 175.34 2bx5 s THR 74 N 4.11 5.30 -0.11 3.68 -1.32 -0.60 -2.21 115.64 124.50 2bx5 s THR 74 Ca 0.47 0.52 -0.00 0.00 -1.21 0.00 0.00 61.69 61.46 2bx5 s THR 74 Cb -0.09 -3.59 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 2bx5 s THR 74 CO 0.24 0.47 -0.08 -0.63 -2.21 0.00 0.00 174.62 172.41 2bx5 s ILE 75 N -0.09 3.53 -0.20 5.08 1.01 0.32 -2.00 121.20 128.84 2bx5 s ILE 75 Ca 0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 2bx5 s ILE 75 Cb -0.13 -2.48 -0.20 0.00 0.01 0.00 0.00 42.46 39.66 2bx5 s ILE 75 CO 0.05 0.55 0.06 -1.20 0.00 0.00 0.00 174.94 174.40 2bx5 n SER 76 N 2.93 2.02 -3.61 3.58 7.64 -1.02 -1.21 113.62 123.94 2bx5 n SER 76 Ca -0.18 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.73 2bx5 n SER 76 Cb 0.53 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 2bx5 n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bx5 s SER 77 N -6.92 0.32 0.35 6.43 0.15 -1.22 -3.55 113.70 109.26 2bx5 s SER 77 Ca -0.30 0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.95 2bx5 s SER 77 Cb 0.08 0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 65.22 2bx5 s SER 77 CO 0.65 -0.25 0.51 -0.22 1.20 0.00 0.00 173.24 175.13 2bx5 s LEU 78 N 2.46 3.96 -0.10 3.45 2.96 -0.99 -4.82 118.68 125.60 2bx5 s LEU 78 Ca 0.02 0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.87 2bx5 s LEU 78 Cb -0.13 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 43.64 2bx5 s LEU 78 CO -0.10 -0.41 0.36 -1.10 -1.32 0.00 0.00 176.35 173.77 2bx5 s GLN 79 N -4.25 0.50 0.47 1.98 -1.52 -1.26 -2.35 119.66 113.23 2bx5 s GLN 79 Ca 0.43 0.33 0.34 0.00 -1.95 0.00 0.00 55.36 54.51 2bx5 s GLN 79 Cb -0.10 0.24 1.49 0.00 -0.22 0.00 0.00 33.01 34.42 2bx5 s GLN 79 CO 0.33 -0.09 1.64 -1.35 -0.25 0.00 0.00 175.29 175.57 2bx5 h PRO 80 N 5.08 0.07 0.00 2.91 0.11 -1.99 0.85 132.00 139.04 2bx5 h PRO 80 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2bx5 h PRO 80 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bx5 h PRO 80 CO 0.31 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.30 2bx5 n GLU 81 N -4.49 0.16 -0.04 1.05 -0.00 -1.26 -2.74 120.64 113.33 2bx5 n GLU 81 Ca 0.37 0.34 0.13 0.00 -0.00 0.00 0.00 57.16 57.99 2bx5 n GLU 81 Cb 1.51 -1.78 0.37 0.00 -0.00 0.00 0.00 31.44 31.54 2bx5 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2bx5 n ASP 82 N -2.07 2.07 -4.57 -1.84 9.92 0.30 -4.82 116.55 115.54 2bx5 n ASP 82 Ca 0.03 -1.71 -0.39 0.00 -0.53 0.00 0.00 54.79 52.19 2bx5 n ASP 82 Cb 0.25 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 2bx5 n ASP 82 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2bx5 s PHE 83 N -1.90 1.41 0.38 1.24 5.36 -1.11 -4.82 117.98 118.55 2bx5 s PHE 83 Ca 0.35 0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 57.14 2bx5 s PHE 83 Cb 0.20 -3.90 0.06 0.00 -0.34 0.00 0.00 43.02 39.04 2bx5 s PHE 83 CO 0.31 -2.79 0.81 0.00 -1.46 0.00 0.00 175.22 172.09 2bx5 s ALA 84 N 9.58 -0.76 -0.16 11.12 0.00 -0.66 -4.75 121.76 136.14 2bx5 s ALA 84 Ca 0.85 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2bx5 s ALA 84 Cb -0.19 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2bx5 s ALA 84 CO 0.27 -0.99 -0.10 0.99 0.00 0.00 0.00 175.76 175.94 2bx5 s THR 85 N -2.16 3.21 0.15 0.00 2.01 -0.74 -1.67 115.64 116.44 2bx5 s THR 85 Ca 0.16 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2bx5 s THR 85 Cb -0.05 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2bx5 s THR 85 CO 0.11 0.49 0.31 -0.31 -0.69 0.00 0.00 174.62 174.54 2bx5 s TYR 86 N 0.68 3.49 0.08 4.92 1.51 -0.59 -0.10 117.35 127.34 2bx5 s TYR 86 Ca -0.05 0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 2bx5 s TYR 86 Cb -0.15 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2bx5 s TYR 86 CO 0.02 0.48 0.10 0.71 -1.11 0.00 0.00 175.55 175.74 2bx5 s TYR 87 N -1.73 0.34 0.08 2.71 1.51 -1.21 -1.15 117.35 117.90 2bx5 s TYR 87 Ca 0.36 -0.82 0.08 0.00 -1.01 0.00 0.00 57.07 55.68 2bx5 s TYR 87 Cb -0.11 -0.21 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 2bx5 s TYR 87 CO 0.28 -0.48 -0.20 0.00 -1.11 0.00 0.00 175.55 174.04 2bx5 s GLN 89 N -1.59 1.28 0.06 0.00 -0.44 0.32 -1.89 119.66 117.40 2bx5 s GLN 89 Ca 0.06 -1.67 0.03 0.00 -2.50 0.00 0.00 55.36 51.28 2bx5 s GLN 89 Cb -0.09 -0.10 -0.03 0.00 -1.64 0.00 0.00 33.01 31.15 2bx5 s GLN 89 CO 0.03 -0.29 -0.10 1.14 0.50 0.00 0.00 175.29 176.56 2bx5 s GLN 90 N -4.05 0.66 0.00 1.67 1.03 -1.17 -0.31 119.66 117.49 2bx5 s GLN 90 Ca 0.35 -0.86 0.00 0.00 0.04 0.00 0.00 55.36 54.90 2bx5 s GLN 90 Cb 0.07 -0.51 0.00 0.00 0.03 0.00 0.00 33.01 32.60 2bx5 s GLN 90 CO 0.11 0.10 0.50 0.43 -2.54 0.00 0.00 175.29 173.89 2bx5 n SER 91 N 1.34 0.90 0.32 12.60 7.64 -0.21 -4.19 113.62 132.02 2bx5 n SER 91 Ca -0.22 -1.22 -0.15 0.00 1.01 0.00 0.00 58.87 58.30 2bx5 n SER 91 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 2bx5 n SER 91 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2bx5 h TYR 92 N 0.00 -0.99 -2.97 1.43 3.20 -1.83 -3.45 116.97 112.36 2bx5 h TYR 92 Ca 0.00 -0.01 -0.46 0.00 3.14 0.00 0.00 58.73 61.40 2bx5 h TYR 92 Cb 0.32 0.35 -0.15 0.00 1.54 0.00 0.00 36.73 38.79 2bx5 h TYR 92 CO 0.00 -0.55 -0.74 -1.54 -1.64 0.00 0.00 178.16 173.69 2bx5 s SER 93 N -3.62 2.56 0.16 -2.11 1.04 -1.26 -5.15 113.70 105.33 2bx5 s SER 93 Ca -0.14 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 2bx5 s SER 93 Cb 0.02 -0.14 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 2bx5 s SER 93 CO 0.44 -0.15 0.50 0.42 0.98 0.00 0.00 173.24 175.43 2bx5 s THR 94 N -2.79 4.97 0.49 2.02 -4.23 -1.26 -3.88 115.64 110.96 2bx5 s THR 94 Ca 0.21 0.54 -0.22 0.00 -1.18 0.00 0.00 61.69 61.03 2bx5 s THR 94 Cb -0.02 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.08 2bx5 s THR 94 CO 0.07 0.13 1.05 -0.81 -0.54 0.00 0.00 174.62 174.51 2bx5 n PRO 95 N 0.44 1.31 -1.75 3.99 -0.04 -1.26 -4.99 135.00 132.69 2bx5 n PRO 95 Ca -0.04 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 2bx5 n PRO 95 Cb 0.52 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 2bx5 n PRO 95 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2bx5 s ASN 96 N -0.89 6.41 -0.03 3.54 0.01 -1.25 -4.87 114.94 117.87 2bx5 s ASN 96 Ca 0.67 2.82 0.07 0.00 -0.71 0.00 0.00 52.86 55.72 2bx5 s ASN 96 Cb -0.49 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.55 2bx5 s ASN 96 CO 0.53 -0.96 -0.24 0.42 -1.51 0.00 0.00 177.10 175.35 2bx5 s THR 97 N 1.36 2.23 -0.03 1.60 -4.23 -1.26 -5.01 115.64 110.30 2bx5 s THR 97 Ca 0.75 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2bx5 s THR 97 Cb -0.49 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2bx5 s THR 97 CO 0.32 0.58 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.55 2bx5 s PHE 98 N -0.60 2.89 0.62 3.99 0.40 -1.26 -3.04 117.98 120.99 2bx5 s PHE 98 Ca 0.09 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 2bx5 s PHE 98 Cb -0.10 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 2bx5 s PHE 98 CO -0.00 0.34 1.05 0.20 0.70 0.00 0.00 175.22 177.51 2bx5 s GLY 99 N -1.14 1.94 0.15 4.36 0.00 -0.79 -4.72 107.32 107.11 2bx5 s GLY 99 Ca 0.15 0.24 0.10 0.00 0.00 0.00 0.00 44.72 45.22 2bx5 s GLY 99 CO 0.05 0.55 1.32 0.61 0.00 0.00 0.00 173.10 175.63 2bx5 n GLN 100 N -2.41 0.07 0.00 2.90 0.00 -1.26 -4.69 117.38 111.98 2bx5 n GLN 100 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 57.00 57.63 2bx5 n GLN 100 Cb 0.53 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.06 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 -1.34 -2.99 3.15 2.61 0.00 -1.26 -5.03 105.19 100.32 2bx5 n GLY 101 Ca -0.01 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.68 -0.92 -1.21 2.61 2.01 -0.30 -4.65 115.64 112.50 2bx5 s THR 102 Ca 0.00 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 2bx5 s THR 102 Cb 0.00 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.59 2bx5 s THR 102 CO 0.00 0.00 1.64 -0.75 -0.69 0.00 0.00 174.62 174.82 2bx5 s LYS 103 N 2.87 3.87 -0.08 4.92 2.47 -1.26 -1.55 119.74 131.00 2bx5 s LYS 103 Ca 0.18 -1.76 -0.30 0.00 -1.56 0.00 0.00 55.97 52.53 2bx5 s LYS 103 Cb -0.14 -5.47 -0.02 0.00 -1.46 0.00 0.00 37.83 30.74 2bx5 s LYS 103 CO -0.20 -2.22 1.10 0.08 0.16 0.00 0.00 175.35 174.26 2bx5 s VAL 104 N 4.35 4.52 0.01 4.02 1.01 -0.67 -2.88 120.40 130.76 2bx5 s VAL 104 Ca 0.51 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 64.29 2bx5 s VAL 104 Cb 0.03 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2bx5 s VAL 104 CO 0.02 0.01 0.01 -0.70 0.00 0.00 0.00 175.10 174.44 2bx5 s GLU 105 N 2.05 0.28 0.00 2.72 2.12 -1.07 -1.65 118.70 123.15 2bx5 s GLU 105 Ca 0.52 -0.45 0.31 0.00 0.36 0.00 0.00 54.97 55.72 2bx5 s GLU 105 Cb -0.22 0.11 1.85 0.00 0.26 0.00 0.00 34.13 36.13 2bx5 s GLU 105 CO 0.20 -0.05 2.17 -0.89 -0.54 0.00 0.00 175.26 176.15