#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 1.51 -0.04 5.18 1.01 -1.26 -5.09 121.20 122.50 2bx5 s ILE 2 Ca 0.00 -0.69 -0.39 0.00 0.00 0.00 0.00 60.65 59.56 2bx5 s ILE 2 Cb 0.00 -1.48 -0.18 0.00 0.01 0.00 0.00 42.46 40.80 2bx5 s ILE 2 CO 0.00 0.35 1.29 1.67 0.00 0.00 0.00 174.94 178.25 2bx5 n GLN 3 N 4.77 0.55 -5.17 2.79 -0.06 -1.26 -4.73 117.38 114.28 2bx5 n GLN 3 Ca -0.16 0.20 -0.32 0.00 -2.00 0.00 0.00 57.00 54.72 2bx5 n GLN 3 Cb 0.49 -1.77 -0.16 0.00 -4.06 0.00 0.00 30.24 24.74 2bx5 n GLN 3 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2bx5 s MET 4 N 0.80 2.52 -0.23 3.69 -1.94 -1.26 -3.27 119.30 119.60 2bx5 s MET 4 Ca 0.90 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 54.05 2bx5 s MET 4 Cb -1.15 -2.22 0.05 0.00 2.01 0.00 0.00 34.83 33.53 2bx5 s MET 4 CO 0.56 0.45 -0.10 0.95 -0.01 0.00 0.00 175.02 176.87 2bx5 s THR 5 N -0.32 1.85 0.07 2.05 -4.23 -0.79 -4.77 115.64 109.49 2bx5 s THR 5 Ca 0.01 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2bx5 s THR 5 Cb -0.13 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2bx5 s THR 5 CO 0.02 0.03 0.07 -1.58 -0.54 0.00 0.00 174.62 172.62 2bx5 s GLN 6 N 1.27 2.86 -0.14 3.99 0.74 -1.26 0.17 119.66 127.29 2bx5 s GLN 6 Ca -0.05 -0.68 -0.12 0.00 0.05 0.00 0.00 55.36 54.55 2bx5 s GLN 6 Cb -0.18 -2.72 0.04 0.00 1.10 0.00 0.00 33.01 31.25 2bx5 s GLN 6 CO -0.07 0.57 0.36 -1.54 -0.55 0.00 0.00 175.29 174.07 2bx5 s SER 7 N -2.27 -0.38 0.95 6.67 1.04 0.36 -4.72 113.70 115.35 2bx5 s SER 7 Ca 0.28 0.74 -0.03 0.00 0.48 0.00 0.00 55.95 57.42 2bx5 s SER 7 Cb -0.12 0.74 0.04 0.00 0.10 0.00 0.00 66.02 66.78 2bx5 s SER 7 CO 0.20 -0.13 0.24 -0.81 0.98 0.00 0.00 173.24 173.72 2bx5 n PRO 8 N 2.95 -0.17 0.04 4.02 -0.04 -1.26 -2.38 135.00 138.16 2bx5 n PRO 8 Ca -0.14 -0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 62.72 2bx5 n PRO 8 Cb 0.57 -0.24 -0.14 0.00 -0.04 0.00 0.00 33.50 33.65 2bx5 n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2bx5 h SER 9 N -0.30 0.52 -4.26 3.54 0.02 -1.85 -3.39 113.55 107.83 2bx5 h SER 9 Ca -0.08 -0.94 -0.35 0.00 -0.84 0.00 0.00 61.79 59.59 2bx5 h SER 9 Cb 0.22 -0.17 -0.14 0.00 0.14 0.00 0.00 62.40 62.44 2bx5 h SER 9 CO 0.06 1.82 -0.64 -0.94 -1.14 0.00 0.00 176.83 175.98 2bx5 s SER 10 N -7.18 1.43 -0.08 3.07 1.04 -1.26 -1.79 113.70 108.93 2bx5 s SER 10 Ca -0.19 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.70 2bx5 s SER 10 Cb 0.06 0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.33 2bx5 s SER 10 CO 0.81 -0.62 0.60 -0.22 0.98 0.00 0.00 173.24 174.79 2bx5 s LEU 11 N -3.28 -0.31 0.12 2.42 2.96 -0.81 -4.90 118.68 114.88 2bx5 s LEU 11 Ca 0.31 0.71 0.05 0.00 -0.22 0.00 0.00 54.13 54.98 2bx5 s LEU 11 Cb 0.07 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.93 2bx5 s LEU 11 CO 0.10 -0.50 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.06 2bx5 s SER 12 N -0.90 1.90 0.00 3.68 0.01 -1.26 -1.56 113.70 115.57 2bx5 s SER 12 Ca -0.09 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2bx5 s SER 12 Cb -0.02 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2bx5 s SER 12 CO 0.07 -0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.53 2bx5 n ALA 13 N 0.42 0.00 -3.60 1.44 0.00 -1.19 -4.97 120.51 112.62 2bx5 n ALA 13 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 2bx5 n ALA 13 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 1.23 -0.20 -0.46 0.00 1.04 -1.26 -4.56 113.70 109.48 2bx5 s SER 14 Ca 0.00 0.15 -0.43 0.00 0.48 0.00 0.00 55.95 56.15 2bx5 s SER 14 Cb 0.00 0.18 -0.18 0.00 0.10 0.00 0.00 66.02 66.12 2bx5 s SER 14 CO 0.00 -0.24 2.00 0.52 0.98 0.00 0.00 173.24 176.50 2bx5 n VAL 15 N 0.37 0.05 0.00 5.02 0.31 -1.26 0.58 118.33 123.39 2bx5 n VAL 15 Ca -0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2bx5 n VAL 15 Cb 0.59 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 6.34 2.92 3.63 2.92 0.00 -1.11 -4.98 105.19 114.92 2bx5 n GLY 16 Ca 0.46 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2bx5 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bx5 n ASP 17 N 0.21 0.64 -4.92 1.61 9.92 0.20 -4.29 116.55 119.92 2bx5 n ASP 17 Ca 0.00 0.65 -0.30 0.00 -0.53 0.00 0.00 54.79 54.61 2bx5 n ASP 17 Cb 0.00 -1.44 -0.04 0.00 -0.64 0.00 0.00 41.12 39.01 2bx5 n ASP 17 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2bx5 s ARG 18 N -3.54 3.48 -0.01 -1.24 1.81 -1.26 -1.73 118.95 116.45 2bx5 s ARG 18 Ca 0.73 -0.40 0.01 0.00 -1.72 0.00 0.00 55.73 54.36 2bx5 s ARG 18 Cb -0.33 -2.97 -0.00 0.00 -0.45 0.00 0.00 34.95 31.20 2bx5 s ARG 18 CO 0.50 0.54 -0.05 0.08 -0.68 0.00 0.00 175.30 175.70 2bx5 s VAL 19 N -1.62 0.37 -0.27 3.52 1.01 -1.10 -5.01 120.40 117.30 2bx5 s VAL 19 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2bx5 s VAL 19 Cb -0.12 -0.32 0.08 0.00 0.00 0.00 0.00 36.38 36.02 2bx5 s VAL 19 CO 0.28 0.11 0.05 -0.89 0.00 0.00 0.00 175.10 174.64 2bx5 s THR 20 N -0.06 1.07 -0.12 3.92 2.01 -1.24 -0.74 115.64 120.47 2bx5 s THR 20 Ca 0.01 -1.25 -0.13 0.00 0.31 0.00 0.00 61.69 60.63 2bx5 s THR 20 Cb -0.02 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2bx5 s THR 20 CO -0.00 -0.43 0.31 -0.63 -0.69 0.00 0.00 174.62 173.17 2bx5 s ILE 21 N 1.56 5.27 -0.01 1.82 1.01 0.39 -4.79 121.20 126.45 2bx5 s ILE 21 Ca 0.04 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.35 2bx5 s ILE 21 Cb -0.18 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2bx5 s ILE 21 CO -0.16 0.45 -0.24 0.42 0.00 0.00 0.00 174.94 175.41 2bx5 s THR 22 N 0.01 2.22 -0.03 2.92 -4.23 -1.00 0.30 115.64 115.83 2bx5 s THR 22 Ca 0.18 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2bx5 s THR 22 Cb -0.14 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 71.93 2bx5 s THR 22 CO 0.06 0.54 0.06 0.00 -0.54 0.00 0.00 174.62 174.74 2bx5 s ARG 24 N 1.49 3.64 0.22 0.00 3.52 0.45 -1.10 118.95 127.16 2bx5 s ARG 24 Ca -0.04 -0.51 -0.20 0.00 -0.13 0.00 0.00 55.73 54.84 2bx5 s ARG 24 Cb -0.13 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 2bx5 s ARG 24 CO -0.03 0.02 0.74 0.00 -0.81 0.00 0.00 175.30 175.21 2bx5 s ALA 25 N 0.99 3.41 -1.78 6.12 0.00 0.18 -1.88 121.76 128.80 2bx5 s ALA 25 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2bx5 s ALA 25 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2bx5 s ALA 25 CO 0.02 0.32 0.77 -1.13 0.00 0.00 0.00 175.76 175.74 2bx5 n SER 26 N 0.81 0.19 0.00 0.00 3.41 -1.20 -4.74 113.62 112.09 2bx5 n SER 26 Ca -0.03 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2bx5 n SER 26 Cb 0.51 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.38 0.00 -0.52 4.33 10.64 -1.26 -5.05 117.38 125.15 2bx5 n GLN 27 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 2bx5 n GLN 27 Cb 0.05 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.37 2bx5 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2bx5 n SER 28 N 0.00 0.22 -0.41 2.61 2.88 -1.25 -4.60 113.62 113.08 2bx5 n SER 28 Ca 0.00 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 2bx5 n SER 28 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 5.29 0.00 0.00 2.46 -5.35 -0.29 -4.90 119.36 116.56 2bx5 n ILE 29 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.69 2bx5 n ILE 29 Cb 0.25 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 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 0.02 0.00 0.00 7.28 2.88 -1.25 -1.82 113.62 120.73 2bx5 n SER 30 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bx5 n SER 30 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 8.87 0.48 -3.41 -3.46 2.88 -1.26 -0.01 113.62 117.71 2bx5 n SER 31 Ca 0.00 -1.12 -0.40 0.00 -1.33 0.00 0.00 58.87 56.02 2bx5 n SER 31 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.06 2.62 -4.99 0.66 4.02 -0.76 -2.94 117.16 115.72 2bx5 n TYR 32 Ca 0.00 -3.03 -0.28 0.00 -0.01 0.00 0.00 57.90 54.58 2bx5 n TYR 32 Cb 0.24 -2.39 -0.15 0.00 -0.02 0.00 0.00 39.34 37.02 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 0.11 2.08 -0.02 7.72 2.96 -1.26 -0.83 118.68 129.43 2bx5 s LEU 33 Ca 0.63 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2bx5 s LEU 33 Cb 0.17 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 2bx5 s LEU 33 CO -0.07 0.25 -0.11 0.20 -1.32 0.00 0.00 176.35 175.30 2bx5 s ASN 34 N -0.72 1.40 -0.13 3.68 0.01 0.20 -0.32 114.94 119.07 2bx5 s ASN 34 Ca 0.09 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 51.99 2bx5 s ASN 34 Cb -0.09 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.29 2bx5 s ASN 34 CO -0.00 0.12 -0.02 0.26 -1.51 0.00 0.00 177.10 175.95 2bx5 s TRP 35 N -0.09 3.08 0.11 2.20 0.52 -0.81 0.57 118.94 124.52 2bx5 s TRP 35 Ca 0.01 -0.10 0.10 0.00 0.02 0.00 0.00 56.10 56.13 2bx5 s TRP 35 Cb -0.07 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2bx5 s TRP 35 CO 0.00 0.14 -0.26 0.71 0.02 0.00 0.00 176.95 177.57 2bx5 s TYR 36 N -0.05 2.21 -0.26 -1.98 1.51 0.81 0.13 117.35 119.72 2bx5 s TYR 36 Ca 0.02 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 2bx5 s TYR 36 Cb -0.13 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 2bx5 s TYR 36 CO 0.02 0.28 0.08 -1.14 -1.11 0.00 0.00 175.55 173.68 2bx5 s GLN 37 N -1.90 3.53 -0.80 -0.62 0.74 0.14 -0.07 119.66 120.68 2bx5 s GLN 37 Ca 0.12 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.84 2bx5 s GLN 37 Cb -0.10 -3.35 0.21 0.00 1.10 0.00 0.00 33.01 30.87 2bx5 s GLN 37 CO 0.05 -0.25 0.73 -1.14 -0.55 0.00 0.00 175.29 174.13 2bx5 s GLN 38 N 1.59 3.50 0.98 1.67 0.74 0.30 -0.59 119.66 127.86 2bx5 s GLN 38 Ca 0.06 -2.44 -0.12 0.00 0.05 0.00 0.00 55.36 52.91 2bx5 s GLN 38 Cb -0.16 -4.37 0.12 0.00 1.10 0.00 0.00 33.01 29.70 2bx5 s GLN 38 CO 0.04 -1.28 0.74 1.63 -0.55 0.00 0.00 175.29 175.86 2bx5 n LYS 39 N 3.98 -0.74 -2.73 1.67 4.76 -1.26 -2.85 118.16 120.99 2bx5 n LYS 39 Ca 0.12 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 2bx5 n LYS 39 Cb 0.46 -2.09 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 2bx5 n LYS 39 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2bx5 s PRO 40 N -4.11 4.38 0.00 1.97 0.05 -1.26 -2.86 135.00 133.17 2bx5 s PRO 40 Ca 0.62 1.31 0.00 0.00 0.05 0.00 0.00 61.00 62.98 2bx5 s PRO 40 Cb -0.21 -3.56 0.00 0.00 0.05 0.00 0.00 34.50 30.77 2bx5 s PRO 40 CO 0.63 -0.36 0.00 0.41 0.05 0.00 0.00 177.00 177.74 2bx5 n GLY 41 N 3.19 2.52 0.69 0.56 0.00 -1.26 -4.97 105.19 105.92 2bx5 n GLY 41 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.26 -0.80 -4.73 1.61 4.76 -1.13 -5.08 118.16 111.53 2bx5 n LYS 42 Ca 0.00 -0.36 -0.32 0.00 -2.87 0.00 0.00 58.31 54.76 2bx5 n LYS 42 Cb 0.00 -0.28 -0.12 0.00 -1.84 0.00 0.00 35.03 32.79 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 -3.52 2.72 0.01 7.82 0.00 -1.26 -4.74 121.76 122.80 2bx5 s ALA 43 Ca 0.14 -1.05 -0.33 0.00 0.00 0.00 0.00 51.96 50.71 2bx5 s ALA 43 Cb -0.01 -0.93 -0.17 0.00 0.00 0.00 0.00 23.12 22.01 2bx5 s ALA 43 CO 0.10 0.57 0.87 -2.30 0.00 0.00 0.00 175.76 175.00 2bx5 n PRO 44 N 1.92 0.00 -4.97 0.00 -0.01 -1.26 -4.61 135.00 126.07 2bx5 n PRO 44 Ca -0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 63.50 63.04 2bx5 n PRO 44 Cb 0.52 -1.24 -0.17 0.00 -0.01 0.00 0.00 33.50 32.61 2bx5 n PRO 44 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 2bx5 s LYS 45 N -0.07 2.31 0.29 -0.52 1.02 0.25 -4.92 119.74 118.09 2bx5 s LYS 45 Ca 0.75 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2bx5 s LYS 45 Cb -1.05 -1.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 2bx5 s LYS 45 CO 0.48 0.19 1.34 -1.17 -0.92 0.00 0.00 175.35 175.27 2bx5 s LEU 46 N 0.28 4.42 -0.00 3.17 2.96 -1.26 0.27 118.68 128.50 2bx5 s LEU 46 Ca -0.12 2.64 -0.05 0.00 -0.22 0.00 0.00 54.13 56.38 2bx5 s LEU 46 Cb -0.15 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2bx5 s LEU 46 CO 0.05 -0.58 -0.10 0.18 -1.32 0.00 0.00 176.35 174.59 2bx5 n LEU 47 N 1.47 1.16 -4.27 -0.68 4.77 0.12 -4.85 117.00 114.71 2bx5 n LEU 47 Ca 0.03 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 2bx5 n LEU 47 Cb 0.41 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 2bx5 n LEU 47 CO 0.59 -0.43 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.04 2bx5 s ILE 48 N -2.23 1.87 0.09 -0.08 -1.09 -1.12 -1.64 121.20 116.99 2bx5 s ILE 48 Ca -0.09 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 2bx5 s ILE 48 Cb 0.02 -1.56 -0.05 0.00 -1.58 0.00 0.00 42.46 39.29 2bx5 s ILE 48 CO 0.13 0.53 0.34 -0.31 -1.23 0.00 0.00 174.94 174.39 2bx5 s TYR 49 N -0.54 3.53 -0.72 3.97 4.12 -0.54 -1.91 117.35 125.25 2bx5 s TYR 49 Ca 0.09 0.58 -0.11 0.00 0.02 0.00 0.00 57.07 57.66 2bx5 s TYR 49 Cb -0.09 -2.01 0.01 0.00 -1.52 0.00 0.00 41.96 38.35 2bx5 s TYR 49 CO -0.01 0.51 0.46 0.00 0.02 0.00 0.00 175.55 176.54 2bx5 n ALA 50 N 0.56 -2.28 0.00 3.71 0.00 0.57 -1.28 120.51 121.79 2bx5 n ALA 50 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2bx5 n ALA 50 Cb 0.52 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.85 0.00 -2.73 0.00 0.00 0.24 -4.29 120.51 110.89 2bx5 n ALA 51 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 2bx5 n ALA 51 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 0.22 -2.58 -3.83 0.00 3.41 -0.40 -3.91 113.62 106.52 2bx5 n SER 52 Ca 0.00 -3.14 -0.12 0.00 -0.26 0.00 0.00 58.87 55.36 2bx5 n SER 52 Cb 0.00 1.69 -0.09 0.00 -0.26 0.00 0.00 64.21 65.55 2bx5 n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2bx5 s SER 53 N -1.42 -0.04 -0.07 4.04 0.01 -1.06 -5.00 113.70 110.16 2bx5 s SER 53 Ca 0.30 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.42 2bx5 s SER 53 Cb 0.24 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2bx5 s SER 53 CO -0.20 -0.44 -0.11 -0.22 0.41 0.00 0.00 173.24 172.67 2bx5 s LEU 54 N -1.55 2.89 -0.11 2.44 0.20 -1.26 -1.47 118.68 119.83 2bx5 s LEU 54 Ca -0.12 -0.16 -0.29 0.00 0.69 0.00 0.00 54.13 54.25 2bx5 s LEU 54 Cb -0.05 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.04 2bx5 s LEU 54 CO 0.01 0.31 1.68 -1.10 -0.29 0.00 0.00 176.35 176.97 2bx5 s GLN 55 N -0.53 4.02 -0.37 1.98 -1.52 -0.65 -4.85 119.66 117.74 2bx5 s GLN 55 Ca 0.07 2.04 -0.44 0.00 -1.95 0.00 0.00 55.36 55.09 2bx5 s GLN 55 Cb -0.12 -4.02 -0.18 0.00 -0.22 0.00 0.00 33.01 28.46 2bx5 s GLN 55 CO 0.02 -1.04 1.59 0.45 -0.25 0.00 0.00 175.29 176.06 2bx5 n SER 56 N 7.75 1.51 0.00 5.90 2.88 -1.26 -1.06 113.62 129.34 2bx5 n SER 56 Ca 0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2bx5 n SER 56 Cb 0.44 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2bx5 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bx5 n GLY 57 N 3.81 2.50 3.80 0.46 0.00 -1.26 -5.10 105.19 109.41 2bx5 n GLY 57 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.24 5.32 0.84 1.61 0.11 -0.22 -5.06 120.40 120.75 2bx5 s VAL 58 Ca 0.00 0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 59.36 2bx5 s VAL 58 Cb 0.00 -3.56 -0.14 0.00 -1.53 0.00 0.00 36.38 31.15 2bx5 s VAL 58 CO 0.00 0.52 -0.62 -2.65 -3.33 0.00 0.00 175.10 169.01 2bx5 n PRO 59 N 2.63 0.00 -0.09 1.54 -0.02 -1.26 -4.83 135.00 132.97 2bx5 n PRO 59 Ca -0.15 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.43 2bx5 n PRO 59 Cb 0.53 -0.94 0.36 0.00 -0.02 0.00 0.00 33.50 33.43 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 3.08 1.64 0.14 2.55 3.41 -1.26 -3.65 113.62 119.53 2bx5 n SER 60 Ca 0.00 -1.73 0.02 0.00 -0.26 0.00 0.00 58.87 56.91 2bx5 n SER 60 Cb 0.51 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2bx5 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2bx5 h ARG 61 N 2.14 0.00 -6.29 4.33 0.11 -1.95 -3.44 114.38 109.27 2bx5 h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2bx5 h ARG 61 Cb 0.47 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 2bx5 h ARG 61 CO 0.00 0.53 0.72 -0.06 0.10 0.00 0.00 179.97 181.25 2bx5 s PHE 62 N -3.03 3.17 0.06 4.08 0.40 -1.24 -1.20 117.98 120.22 2bx5 s PHE 62 Ca 0.03 1.22 -0.17 0.00 -0.60 0.00 0.00 56.93 57.41 2bx5 s PHE 62 Cb 0.08 -3.42 0.03 0.00 0.51 0.00 0.00 43.02 40.23 2bx5 s PHE 62 CO 0.74 -1.28 0.39 -1.54 0.70 0.00 0.00 175.22 174.23 2bx5 s SER 63 N 1.51 -0.24 -0.07 1.36 1.04 -1.11 -5.01 113.70 111.18 2bx5 s SER 63 Ca 0.55 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.80 2bx5 s SER 63 Cb -0.24 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.32 2bx5 s SER 63 CO 0.21 -0.70 0.20 -0.83 0.98 0.00 0.00 173.24 173.10 2bx5 s GLY 64 N -2.20 -0.13 0.32 7.32 0.00 -1.25 -0.75 107.32 110.63 2bx5 s GLY 64 Ca -0.03 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.20 2bx5 s GLY 64 CO -0.05 0.39 0.10 -1.14 0.00 0.00 0.00 173.10 172.41 2bx5 n SER 65 N 2.72 1.35 -0.72 1.64 3.41 -1.13 -4.26 113.62 116.63 2bx5 n SER 65 Ca -0.14 -2.68 0.06 0.00 -0.26 0.00 0.00 58.87 55.85 2bx5 n SER 65 Cb 0.58 0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 65.24 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 -0.04 -3.11 3.47 5.00 0.00 -1.26 -3.86 105.19 105.39 2bx5 n GLY 66 Ca -0.06 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -5.23 -0.73 0.00 1.61 0.15 -1.26 -4.89 113.70 103.36 2bx5 s SER 67 Ca 0.00 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2bx5 s SER 67 Cb 0.00 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 2bx5 s SER 67 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2bx5 n GLY 68 N 5.23 1.90 0.00 9.45 0.00 0.99 -4.80 105.19 117.97 2bx5 n GLY 68 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 -3.78 2.61 5.66 -1.26 -1.14 114.28 116.37 2bx5 n THR 69 Ca 0.00 -0.08 -0.25 0.00 -3.05 0.00 0.00 64.05 60.67 2bx5 n THR 69 Cb 0.00 1.12 -0.17 0.00 -1.55 0.00 0.00 70.33 69.73 2bx5 n THR 69 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2bx5 s ASP 70 N -0.14 1.98 0.20 1.09 -1.08 -1.26 -0.65 116.67 116.81 2bx5 s ASP 70 Ca 0.00 -0.29 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 2bx5 s ASP 70 Cb 0.00 -0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 40.89 2bx5 s ASP 70 CO 0.00 -0.21 -0.15 -0.36 0.52 0.00 0.00 175.17 174.97 2bx5 s PHE 71 N 1.91 1.69 -0.10 -5.34 0.40 -0.26 -3.99 117.98 112.30 2bx5 s PHE 71 Ca 0.04 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 2bx5 s PHE 71 Cb -0.13 -0.79 0.05 0.00 0.51 0.00 0.00 43.02 42.65 2bx5 s PHE 71 CO -0.06 0.34 0.21 0.99 0.70 0.00 0.00 175.22 177.40 2bx5 s THR 72 N -2.87 -0.15 -0.27 0.64 2.01 -1.25 -1.41 115.64 112.33 2bx5 s THR 72 Ca 0.21 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 2bx5 s THR 72 Cb -0.01 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.18 2bx5 s THR 72 CO 0.06 0.09 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.85 2bx5 s LEU 73 N 1.64 3.53 -0.36 4.42 2.96 0.88 -2.81 118.68 128.94 2bx5 s LEU 73 Ca -0.05 -0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 52.88 2bx5 s LEU 73 Cb -0.11 -1.72 0.09 0.00 0.50 0.00 0.00 46.19 44.95 2bx5 s LEU 73 CO -0.08 -0.18 0.11 -0.89 -1.32 0.00 0.00 176.35 173.99 2bx5 s THR 74 N 1.33 2.98 -0.37 3.68 2.01 0.07 0.15 115.64 125.49 2bx5 s THR 74 Ca -0.01 -1.90 -0.29 0.00 0.31 0.00 0.00 61.69 59.80 2bx5 s THR 74 Cb -0.18 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.38 2bx5 s THR 74 CO -0.02 -0.48 1.32 -0.63 -0.69 0.00 0.00 174.62 174.12 2bx5 s ILE 75 N 1.13 4.05 -0.34 1.82 1.01 0.08 -2.74 121.20 126.22 2bx5 s ILE 75 Ca 0.04 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.86 2bx5 s ILE 75 Cb -0.21 -4.24 0.37 0.00 0.01 0.00 0.00 42.46 38.39 2bx5 s ILE 75 CO -0.04 -0.67 1.39 -1.54 0.00 0.00 0.00 174.94 174.09 2bx5 n SER 76 N 8.15 3.42 0.00 3.58 3.41 -0.34 -2.71 113.62 129.13 2bx5 n SER 76 Ca 0.15 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2bx5 n SER 76 Cb 0.47 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2bx5 n SER 76 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2bx5 n SER 77 N -0.17 0.00 -4.44 4.04 2.88 -1.26 -4.99 113.62 109.68 2bx5 n SER 77 Ca 0.27 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.40 2bx5 n SER 77 Cb 1.02 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.49 2bx5 n SER 77 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bx5 n LEU 78 N 0.00 -0.22 -4.28 2.46 7.94 -0.71 -4.60 117.00 117.59 2bx5 n LEU 78 Ca 0.00 0.87 -0.16 0.00 -1.11 0.00 0.00 56.01 55.61 2bx5 n LEU 78 Cb 0.00 -1.10 -0.10 0.00 0.53 0.00 0.00 43.42 42.75 2bx5 n LEU 78 CO 0.00 -3.05 -0.42 -1.10 -1.11 0.00 0.00 177.39 171.71 2bx5 s GLN 79 N -1.59 1.16 0.46 1.96 -1.52 -1.26 -2.76 119.66 116.10 2bx5 s GLN 79 Ca 0.63 -1.49 0.24 0.00 -1.95 0.00 0.00 55.36 52.79 2bx5 s GLN 79 Cb -0.58 -0.81 1.10 0.00 -0.22 0.00 0.00 33.01 32.49 2bx5 s GLN 79 CO 0.58 0.12 1.91 -1.00 -0.25 0.00 0.00 175.29 176.65 2bx5 h PRO 80 N 2.73 0.00 0.00 2.91 0.13 -1.99 -0.46 132.00 135.31 2bx5 h PRO 80 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2bx5 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bx5 h PRO 80 CO 0.62 0.21 0.00 -0.85 -0.23 0.00 0.00 178.00 177.75 2bx5 n GLU 81 N -3.54 0.48 -0.12 0.86 0.28 -1.26 -2.67 120.64 114.66 2bx5 n GLU 81 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.03 2bx5 n GLU 81 Cb 0.36 -1.17 0.10 0.00 1.43 0.00 0.00 31.44 32.16 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 -0.67 2.59 -4.54 -1.84 8.00 -0.18 -4.93 116.55 114.98 2bx5 n ASP 82 Ca 0.04 -2.27 -0.24 0.00 0.71 0.00 0.00 54.79 53.03 2bx5 n ASP 82 Cb 0.02 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.28 0.91 -3.65 1.24 7.35 -1.09 -4.76 117.46 117.19 2bx5 n PHE 83 Ca 0.09 0.07 -0.04 0.00 -0.76 0.00 0.00 57.45 56.81 2bx5 n PHE 83 Cb 0.44 -2.15 -0.07 0.00 0.35 0.00 0.00 39.48 38.05 2bx5 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bx5 s ALA 84 N 10.38 -2.19 -0.46 3.13 0.00 -1.11 -4.52 121.76 126.99 2bx5 s ALA 84 Ca 1.08 1.75 -0.28 0.00 0.00 0.00 0.00 51.96 54.50 2bx5 s ALA 84 Cb -0.44 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2bx5 s ALA 84 CO 0.28 -0.14 1.50 0.99 0.00 0.00 0.00 175.76 178.38 2bx5 s THR 85 N 0.14 3.77 -0.03 0.00 2.01 -1.13 -2.19 115.64 118.21 2bx5 s THR 85 Ca 0.05 0.73 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 2bx5 s THR 85 Cb -0.05 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2bx5 s THR 85 CO -0.13 -0.84 0.67 -0.31 -0.69 0.00 0.00 174.62 173.31 2bx5 s TYR 86 N 6.08 3.63 0.21 4.92 1.51 0.15 -0.54 117.35 133.32 2bx5 s TYR 86 Ca 0.62 1.25 0.12 0.00 -1.01 0.00 0.00 57.07 58.04 2bx5 s TYR 86 Cb -0.14 -2.74 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 2bx5 s TYR 86 CO 0.30 0.20 -0.23 0.71 -1.11 0.00 0.00 175.55 175.42 2bx5 s TYR 87 N 0.36 2.31 -0.14 2.71 1.51 0.90 -1.03 117.35 123.96 2bx5 s TYR 87 Ca 0.35 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2bx5 s TYR 87 Cb -0.18 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 2bx5 s TYR 87 CO 0.18 0.55 -0.19 0.00 -1.11 0.00 0.00 175.55 174.98 2bx5 s GLN 89 N 0.79 1.71 -0.07 0.00 0.74 0.19 0.15 119.66 123.18 2bx5 s GLN 89 Ca -0.07 -0.60 -0.26 0.00 0.05 0.00 0.00 55.36 54.49 2bx5 s GLN 89 Cb -0.16 -1.50 -0.03 0.00 1.10 0.00 0.00 33.01 32.42 2bx5 s GLN 89 CO -0.01 0.25 0.83 1.14 -0.55 0.00 0.00 175.29 176.95 2bx5 s GLN 90 N -0.00 4.44 -0.32 1.67 1.03 -0.67 0.62 119.66 126.43 2bx5 s GLN 90 Ca -0.03 1.10 0.02 0.00 0.04 0.00 0.00 55.36 56.49 2bx5 s GLN 90 Cb -0.11 -3.48 0.39 0.00 0.03 0.00 0.00 33.01 29.84 2bx5 s GLN 90 CO 0.02 -0.07 1.69 0.45 -2.54 0.00 0.00 175.29 174.83 2bx5 n SER 91 N 4.19 4.25 -0.03 12.60 2.88 -0.01 -3.26 113.62 134.25 2bx5 n SER 91 Ca 0.03 -3.08 -0.03 0.00 -1.33 0.00 0.00 58.87 54.45 2bx5 n SER 91 Cb 0.51 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 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 -0.43 0.00 -3.73 0.66 9.36 -1.26 -4.96 117.16 116.80 2bx5 n TYR 92 Ca 0.38 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.40 2bx5 n TYR 92 Cb 1.10 -0.18 -0.03 0.00 -0.63 0.00 0.00 39.34 39.60 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 -4.78 5.57 0.01 2.98 0.15 -1.26 -5.10 113.70 111.25 2bx5 s SER 93 Ca -0.11 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.21 2bx5 s SER 93 Cb 0.01 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2bx5 s SER 93 CO 0.16 -0.34 -0.03 0.42 1.20 0.00 0.00 173.24 174.64 2bx5 s THR 94 N -2.24 3.93 -0.78 6.45 -4.23 -1.26 -3.10 115.64 114.41 2bx5 s THR 94 Ca 0.41 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 59.98 2bx5 s THR 94 Cb -0.07 -2.74 -0.17 0.00 1.34 0.00 0.00 72.50 70.86 2bx5 s THR 94 CO 0.28 0.37 2.45 -0.81 -0.54 0.00 0.00 174.62 176.37 2bx5 n PRO 95 N 1.42 0.49 -1.61 3.99 -0.04 -1.26 -4.60 135.00 133.40 2bx5 n PRO 95 Ca -0.15 -0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 62.70 2bx5 n PRO 95 Cb 0.53 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2bx5 n PRO 95 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bx5 n ASN 96 N 13.41 1.31 -3.89 3.54 3.02 -1.18 -4.53 115.26 126.95 2bx5 n ASN 96 Ca 0.52 1.08 -0.23 0.00 -0.03 0.00 0.00 54.58 55.93 2bx5 n ASN 96 Cb 0.32 -1.34 -0.17 0.00 -0.61 0.00 0.00 39.78 37.98 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 -1.21 0.68 0.67 3.41 -4.23 -1.20 -4.98 115.64 108.77 2bx5 s THR 97 Ca 0.61 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 2bx5 s THR 97 Cb -0.60 -0.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 2bx5 s THR 97 CO 0.58 0.28 1.05 -0.36 -0.54 0.00 0.00 174.62 175.63 2bx5 s PHE 98 N 1.25 3.35 0.00 3.99 0.40 -1.26 -1.68 117.98 124.03 2bx5 s PHE 98 Ca -0.05 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 2bx5 s PHE 98 Cb -0.14 -2.84 0.00 0.00 0.51 0.00 0.00 43.02 40.55 2bx5 s PHE 98 CO -0.02 -1.02 0.00 0.41 0.70 0.00 0.00 175.22 175.29 2bx5 n GLY 99 N -2.43 -1.61 0.00 4.36 0.00 0.41 -4.42 105.19 101.49 2bx5 n GLY 99 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 1.61 0.00 -1.26 -4.92 117.38 112.81 2bx5 n GLN 100 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.00 56.91 2bx5 n GLN 100 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 30.24 30.12 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 0.00 1.30 2.89 2.61 0.00 -1.26 -4.97 105.19 105.76 2bx5 n GLY 101 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.98 1.20 -0.40 2.61 2.01 -0.20 -4.32 115.64 113.56 2bx5 s THR 102 Ca 0.00 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 2bx5 s THR 102 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2bx5 s THR 102 CO 0.00 0.00 1.52 -0.75 -0.69 0.00 0.00 174.62 174.70 2bx5 s LYS 103 N 1.57 3.48 -0.31 4.92 2.20 -0.74 -0.67 119.74 130.19 2bx5 s LYS 103 Ca -0.02 1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 56.43 2bx5 s LYS 103 Cb -0.17 -4.08 -0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2bx5 s LYS 103 CO -0.07 -1.68 0.58 0.08 -0.36 0.00 0.00 175.35 173.90 2bx5 s VAL 104 N 5.91 4.97 -0.39 4.02 1.01 -0.93 -1.93 120.40 133.07 2bx5 s VAL 104 Ca 0.66 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 2bx5 s VAL 104 Cb -0.16 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.34 2bx5 s VAL 104 CO 0.32 -0.13 0.18 -0.70 0.00 0.00 0.00 175.10 174.77 2bx5 s GLU 105 N 2.52 2.34 0.00 2.72 2.56 -0.60 -2.76 118.70 125.47 2bx5 s GLU 105 Ca 0.23 -1.55 0.25 0.00 0.00 0.00 0.00 54.97 53.90 2bx5 s GLU 105 Cb -0.15 -3.58 1.51 0.00 2.00 0.00 0.00 34.13 33.91 2bx5 s GLU 105 CO 0.12 -0.92 1.86 -0.89 -0.56 0.00 0.00 175.26 174.87