#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s ILE 2 N 0.00 2.83 -0.06 0.53 1.09 -1.26 -5.02 121.20 119.30 3cx5 s ILE 2 Ca 0.00 0.78 0.03 0.00 -1.10 0.00 0.00 60.65 60.36 3cx5 s ILE 2 Cb 0.00 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 3cx5 s ILE 2 CO 0.00 0.16 -0.16 -1.83 -0.10 0.00 0.00 174.94 173.02 3cx5 s GLU 3 N -1.23 1.88 0.01 2.79 -1.05 -1.26 -4.71 118.70 115.13 3cx5 s GLU 3 Ca 0.52 -0.55 -0.02 0.00 -0.15 0.00 0.00 54.97 54.77 3cx5 s GLU 3 Cb -0.39 -1.56 -0.04 0.00 -0.44 0.00 0.00 34.13 31.69 3cx5 s GLU 3 CO 0.48 0.14 0.18 -0.51 0.95 0.00 0.00 175.26 176.50 3cx5 s LEU 4 N 0.33 4.31 -0.28 1.83 1.02 -1.26 -1.52 118.68 123.11 3cx5 s LEU 4 Ca -0.10 0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.37 3cx5 s LEU 4 Cb -0.14 -2.65 0.08 0.00 0.02 0.00 0.00 46.19 43.50 3cx5 s LEU 4 CO 0.04 0.24 -0.02 -0.89 0.02 0.00 0.00 176.35 175.74 3cx5 s THR 5 N -1.35 1.84 0.27 5.49 2.01 -0.09 -4.33 115.64 119.47 3cx5 s THR 5 Ca 0.28 -1.69 -0.22 0.00 0.31 0.00 0.00 61.69 60.37 3cx5 s THR 5 Cb -0.13 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.12 3cx5 s THR 5 CO 0.20 -0.30 0.82 -1.10 -0.69 0.00 0.00 174.62 173.55 3cx5 s GLN 6 N 1.20 4.38 -0.23 4.92 -0.21 -1.26 -2.44 119.66 126.03 3cx5 s GLN 6 Ca 0.00 1.06 -0.22 0.00 0.02 0.00 0.00 55.36 56.22 3cx5 s GLN 6 Cb -0.19 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.04 3cx5 s GLN 6 CO -0.09 0.34 0.63 -0.08 -2.12 0.00 0.00 175.29 173.98 3cx5 s THR 7 N -1.57 0.00 0.23 -0.19 -1.32 -0.56 -4.03 115.64 108.20 3cx5 s THR 7 Ca 0.46 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.64 3cx5 s THR 7 Cb -0.17 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 3cx5 s THR 7 CO 0.22 -0.00 1.23 -2.16 -2.21 0.00 0.00 174.62 171.70 3cx5 s PRO 8 N 0.24 4.46 -0.79 7.08 0.04 -1.26 -1.34 135.00 143.44 3cx5 s PRO 8 Ca -0.01 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 3cx5 s PRO 8 Cb -0.04 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3cx5 s PRO 8 CO 0.01 -0.11 2.19 0.08 0.04 0.00 0.00 177.00 179.22 3cx5 s VAL 9 N -0.34 3.20 -0.48 -0.36 1.01 -1.26 -3.98 120.40 118.19 3cx5 s VAL 9 Ca 0.52 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 3cx5 s VAL 9 Cb -0.35 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3cx5 s VAL 9 CO 0.40 -0.44 0.63 -1.20 0.00 0.00 0.00 175.10 174.49 3cx5 n SER 10 N 16.19 -7.31 -4.29 3.32 7.64 -1.26 -4.91 113.62 123.00 3cx5 n SER 10 Ca 0.41 0.27 -0.32 0.00 1.01 0.00 0.00 58.87 60.24 3cx5 n SER 10 Cb 0.46 -4.47 -0.16 0.00 -1.01 0.00 0.00 64.21 59.04 3cx5 n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3cx5 s LEU 11 N -2.82 2.20 0.66 -3.43 2.96 -1.19 -4.77 118.68 112.29 3cx5 s LEU 11 Ca 0.24 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 3cx5 s LEU 11 Cb -0.05 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3cx5 s LEU 11 CO 0.80 0.24 1.05 0.00 -1.32 0.00 0.00 176.35 177.11 3cx5 s ALA 12 N -0.11 2.80 0.17 5.97 0.00 -1.26 -4.23 121.76 125.09 3cx5 s ALA 12 Ca -0.05 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 3cx5 s ALA 12 Cb -0.14 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.85 3cx5 s ALA 12 CO 0.04 -1.01 0.48 0.00 0.00 0.00 0.00 175.76 175.27 3cx5 s ALA 13 N -2.98 -0.89 0.49 0.00 0.00 0.13 -4.87 121.76 113.64 3cx5 s ALA 13 Ca 0.58 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3cx5 s ALA 13 Cb -0.13 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.74 3cx5 s ALA 13 CO 0.51 -0.75 0.91 -1.12 0.00 0.00 0.00 175.76 175.31 3cx5 s SER 14 N -2.86 6.50 0.28 0.00 0.01 -1.26 -2.55 113.70 113.81 3cx5 s SER 14 Ca 0.08 1.35 0.11 0.00 1.31 0.00 0.00 55.95 58.80 3cx5 s SER 14 Cb 0.00 -2.42 0.37 0.00 0.21 0.00 0.00 66.02 64.18 3cx5 s SER 14 CO -0.05 -0.57 1.62 -0.07 0.41 0.00 0.00 173.24 174.57 3cx5 h LEU 15 N 0.77 0.00 -4.00 2.44 4.07 -1.95 -3.32 115.31 113.32 3cx5 h LEU 15 Ca -0.46 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.17 3cx5 h LEU 15 Cb 1.19 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.81 3cx5 h LEU 15 CO 0.62 0.61 0.14 0.61 -1.08 0.00 0.00 178.44 179.34 3cx5 n GLY 16 N 0.23 3.73 1.74 0.83 0.00 -1.26 -3.47 105.19 106.98 3cx5 n GLY 16 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3cx5 n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cx5 n ASP 17 N 1.27 -0.64 -4.94 1.61 5.68 -1.25 -5.07 116.55 113.20 3cx5 n ASP 17 Ca 0.38 -1.25 -0.23 0.00 -0.50 0.00 0.00 54.79 53.19 3cx5 n ASP 17 Cb 0.65 1.03 0.01 0.00 -1.14 0.00 0.00 41.12 41.67 3cx5 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cx5 s ARG 18 N -2.01 2.33 -0.03 0.11 1.70 -1.25 -3.11 118.95 116.68 3cx5 s ARG 18 Ca 0.12 -1.80 -0.18 0.00 -0.47 0.00 0.00 55.73 53.40 3cx5 s ARG 18 Cb -0.01 -2.34 0.03 0.00 -0.57 0.00 0.00 34.95 32.07 3cx5 s ARG 18 CO 0.01 -0.62 0.40 0.54 -1.08 0.00 0.00 175.30 174.55 3cx5 s VAL 19 N -2.68 0.04 -0.26 4.99 0.11 -1.25 -4.96 120.40 116.39 3cx5 s VAL 19 Ca 0.46 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 3cx5 s VAL 19 Cb -0.04 -0.69 0.08 0.00 -1.53 0.00 0.00 36.38 34.20 3cx5 s VAL 19 CO 0.28 -0.18 0.08 -0.89 -3.33 0.00 0.00 175.10 171.06 3cx5 s THR 20 N -1.17 0.47 0.59 5.04 2.01 -1.26 -2.07 115.64 119.24 3cx5 s THR 20 Ca -0.12 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 3cx5 s THR 20 Cb -0.04 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.27 3cx5 s THR 20 CO 0.05 -0.51 0.89 -0.63 -0.69 0.00 0.00 174.62 173.74 3cx5 s ILE 21 N 1.85 3.57 -0.00 1.82 1.01 -1.17 -4.69 121.20 123.59 3cx5 s ILE 21 Ca 0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3cx5 s ILE 21 Cb -0.17 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3cx5 s ILE 21 CO -0.21 -0.42 0.39 -0.94 0.00 0.00 0.00 174.94 173.76 3cx5 s SER 22 N -4.31 -0.28 -0.00 3.58 1.04 -0.45 -2.02 113.70 111.25 3cx5 s SER 22 Ca 0.54 0.14 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3cx5 s SER 22 Cb -0.11 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3cx5 s SER 22 CO 0.45 -0.54 -0.16 0.00 0.98 0.00 0.00 173.24 173.97 3cx5 s ARG 24 N -0.51 0.84 0.28 0.00 3.52 -1.02 -1.90 118.95 120.15 3cx5 s ARG 24 Ca 0.06 -0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.33 3cx5 s ARG 24 Cb -0.06 -1.57 -0.08 0.00 -1.56 0.00 0.00 34.95 31.67 3cx5 s ARG 24 CO -0.00 -0.43 0.65 0.00 -0.81 0.00 0.00 175.30 174.70 3cx5 s ALA 25 N 1.86 3.44 -2.00 6.12 0.00 -1.02 -0.92 121.76 129.24 3cx5 s ALA 25 Ca 0.02 -0.10 0.16 0.00 0.00 0.00 0.00 51.96 52.04 3cx5 s ALA 25 Cb -0.14 -2.61 0.95 0.00 0.00 0.00 0.00 23.12 21.32 3cx5 s ALA 25 CO -0.07 0.42 1.38 -1.13 0.00 0.00 0.00 175.76 176.36 3cx5 n SER 26 N -0.24 0.00 -3.47 0.00 3.41 -0.58 -4.79 113.62 107.96 3cx5 n SER 26 Ca 0.02 -0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 57.78 3cx5 n SER 26 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3cx5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3cx5 s GLN 27 N -2.00 1.85 -0.29 4.33 0.74 -1.26 -4.97 119.66 118.06 3cx5 s GLN 27 Ca 0.24 -1.47 -0.27 0.00 0.05 0.00 0.00 55.36 53.90 3cx5 s GLN 27 Cb 0.11 0.50 0.01 0.00 1.10 0.00 0.00 33.01 34.73 3cx5 s GLN 27 CO 0.18 -0.80 0.97 0.34 -0.55 0.00 0.00 175.29 175.44 3cx5 s ASP 28 N -3.11 6.89 0.00 6.67 3.68 -1.26 -4.63 116.67 124.91 3cx5 s ASP 28 Ca 0.23 1.02 0.22 0.00 2.13 0.00 0.00 52.55 56.16 3cx5 s ASP 28 Cb -0.02 -2.50 -0.09 0.00 -1.45 0.00 0.00 42.92 38.86 3cx5 s ASP 28 CO 0.14 -0.73 1.01 2.30 0.13 0.00 0.00 175.17 178.02 3cx5 n ILE 29 N 5.60 0.00 -3.49 4.11 -5.35 -0.93 -5.03 119.36 114.27 3cx5 n ILE 29 Ca 0.09 -0.09 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 3cx5 n ILE 29 Cb 0.47 1.03 0.06 0.00 -1.74 0.00 0.00 39.64 39.46 3cx5 n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3cx5 n ASN 30 N -0.99 -4.92 0.00 7.28 4.05 -1.25 -2.80 115.26 116.64 3cx5 n ASN 30 Ca 0.06 -0.83 0.00 0.00 0.45 0.00 0.00 54.58 54.26 3cx5 n ASN 30 Cb 0.38 -4.38 0.00 0.00 1.23 0.00 0.00 39.78 37.00 3cx5 n ASN 30 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3cx5 n ASN 31 N -3.00 0.00 -3.69 1.20 4.13 -1.26 -4.86 115.26 107.77 3cx5 n ASN 31 Ca -0.13 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.70 3cx5 n ASN 31 Cb 0.62 -1.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 3cx5 n ASN 31 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3cx5 n PHE 32 N -2.00 2.67 -4.18 3.10 3.72 -1.12 -2.34 117.46 117.31 3cx5 n PHE 32 Ca 0.00 -2.35 -0.19 0.00 -0.05 0.00 0.00 57.45 54.86 3cx5 n PHE 32 Cb 0.00 -2.12 -0.16 0.00 -0.94 0.00 0.00 39.48 36.26 3cx5 n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3cx5 s LEU 33 N 1.78 1.48 0.27 4.37 2.96 -1.26 -1.81 118.68 126.48 3cx5 s LEU 33 Ca 0.53 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.42 3cx5 s LEU 33 Cb 0.14 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 3cx5 s LEU 33 CO 0.02 -0.02 -0.12 0.20 -1.32 0.00 0.00 176.35 175.11 3cx5 s ASN 34 N 0.67 3.97 -0.04 3.68 0.02 0.10 -0.62 114.94 122.72 3cx5 s ASN 34 Ca -0.09 -0.88 0.05 0.00 -1.02 0.00 0.00 52.86 50.92 3cx5 s ASN 34 Cb -0.12 -0.52 -0.01 0.00 0.02 0.00 0.00 41.25 40.63 3cx5 s ASN 34 CO 0.00 0.02 -0.19 0.26 0.02 0.00 0.00 177.10 177.22 3cx5 s TRP 35 N -2.44 1.82 0.21 2.20 0.52 0.18 -1.27 118.94 120.16 3cx5 s TRP 35 Ca 0.31 -0.50 0.10 0.00 0.02 0.00 0.00 56.10 56.02 3cx5 s TRP 35 Cb -0.06 -1.21 -0.05 0.00 -1.15 0.00 0.00 33.47 31.01 3cx5 s TRP 35 CO 0.17 -0.15 -0.19 0.71 0.02 0.00 0.00 176.95 177.51 3cx5 s TYR 36 N -0.08 1.98 -0.19 -1.98 2.02 0.12 -0.70 117.35 118.52 3cx5 s TYR 36 Ca -0.02 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 3cx5 s TYR 36 Cb -0.11 -0.94 0.04 0.00 -0.40 0.00 0.00 41.96 40.55 3cx5 s TYR 36 CO 0.02 0.45 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.20 3cx5 s GLN 37 N -3.14 2.10 -0.52 -0.62 0.74 0.09 -1.76 119.66 116.55 3cx5 s GLN 37 Ca 0.21 -0.77 -0.11 0.00 0.05 0.00 0.00 55.36 54.75 3cx5 s GLN 37 Cb -0.05 -2.33 0.13 0.00 1.10 0.00 0.00 33.01 31.86 3cx5 s GLN 37 CO 0.09 -0.38 0.42 -1.14 -0.55 0.00 0.00 175.29 173.73 3cx5 s GLN 38 N 1.42 2.68 0.76 1.67 0.74 0.32 -0.90 119.66 126.36 3cx5 s GLN 38 Ca 0.00 -1.84 -0.14 0.00 0.05 0.00 0.00 55.36 53.43 3cx5 s GLN 38 Cb -0.15 -4.04 0.06 0.00 1.10 0.00 0.00 33.01 29.97 3cx5 s GLN 38 CO -0.09 -1.23 1.18 0.15 -0.55 0.00 0.00 175.29 174.75 3cx5 s LYS 39 N 1.26 1.96 0.34 1.67 -0.14 0.25 -2.04 119.74 123.04 3cx5 s LYS 39 Ca 0.07 1.66 0.11 0.00 -1.36 0.00 0.00 55.97 56.45 3cx5 s LYS 39 Cb -0.26 -1.82 0.90 0.00 -1.68 0.00 0.00 37.83 34.97 3cx5 s LYS 39 CO -0.01 -1.95 1.77 -1.35 -0.76 0.00 0.00 175.35 173.06 3cx5 h PRO 40 N -0.64 0.58 0.00 -1.68 0.11 -1.88 0.86 132.00 129.34 3cx5 h PRO 40 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cx5 h PRO 40 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3cx5 h PRO 40 CO 0.48 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3cx5 n ASP 41 N -4.73 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.38 3cx5 n ASP 41 Ca 0.24 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 3cx5 n ASP 41 Cb 0.70 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3cx5 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cx5 n GLY 42 N 0.18 2.54 3.70 6.12 0.00 0.29 -5.07 105.19 112.95 3cx5 n GLY 42 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3cx5 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 43 N -2.43 2.54 -0.17 2.61 2.01 -1.25 -4.69 115.64 114.27 3cx5 s THR 43 Ca 0.00 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 3cx5 s THR 43 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3cx5 s THR 43 CO 0.00 0.00 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.31 3cx5 s ILE 44 N 2.21 2.96 0.23 1.82 2.07 -1.26 -0.59 121.20 128.66 3cx5 s ILE 44 Ca 0.77 -0.66 0.10 0.00 -1.41 0.00 0.00 60.65 59.45 3cx5 s ILE 44 Cb -0.45 -2.28 -0.05 0.00 0.13 0.00 0.00 42.46 39.81 3cx5 s ILE 44 CO 0.34 0.50 -0.13 -0.54 -1.91 0.00 0.00 174.94 173.19 3cx5 s LYS 45 N 0.86 1.89 -0.01 3.50 1.02 -0.07 -4.95 119.74 121.98 3cx5 s LYS 45 Ca -0.03 -1.51 -0.24 0.00 0.02 0.00 0.00 55.97 54.21 3cx5 s LYS 45 Cb -0.15 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 3cx5 s LYS 45 CO 0.00 0.38 0.73 -1.17 -0.92 0.00 0.00 175.35 174.37 3cx5 s LEU 46 N -3.21 4.38 -0.12 3.17 2.96 -1.26 -0.73 118.68 123.88 3cx5 s LEU 46 Ca 0.27 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.38 3cx5 s LEU 46 Cb -0.07 -3.16 -0.05 0.00 0.50 0.00 0.00 46.19 43.42 3cx5 s LEU 46 CO 0.15 -0.05 -0.25 0.18 -1.32 0.00 0.00 176.35 175.07 3cx5 n LEU 47 N 3.28 1.63 -4.09 -0.68 4.77 0.12 -4.75 117.00 117.27 3cx5 n LEU 47 Ca -0.02 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 3cx5 n LEU 47 Cb 0.51 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3cx5 n LEU 47 CO 0.47 -0.25 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.22 3cx5 s ILE 48 N -2.58 0.76 0.05 -0.08 -1.09 -0.96 -2.11 121.20 115.19 3cx5 s ILE 48 Ca -0.22 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 3cx5 s ILE 48 Cb 0.04 -0.76 -0.03 0.00 -1.58 0.00 0.00 42.46 40.13 3cx5 s ILE 48 CO 0.31 -0.21 -0.04 -0.72 -1.23 0.00 0.00 174.94 173.05 3cx5 s TYR 49 N -1.10 0.53 -1.15 3.97 1.13 0.19 0.47 117.35 121.39 3cx5 s TYR 49 Ca -0.05 -0.83 -0.22 0.00 -1.41 0.00 0.00 57.07 54.56 3cx5 s TYR 49 Cb -0.09 -0.36 -0.00 0.00 -1.10 0.00 0.00 41.96 40.41 3cx5 s TYR 49 CO 0.01 -0.26 0.78 0.98 -2.51 0.00 0.00 175.55 174.55 3cx5 n TYR 50 N 0.64 -1.86 0.00 -3.49 4.19 -1.00 -0.72 117.16 114.93 3cx5 n TYR 50 Ca -0.17 0.42 0.00 0.00 3.31 0.00 0.00 57.90 61.46 3cx5 n TYR 50 Cb 0.59 -3.39 0.00 0.00 0.49 0.00 0.00 39.34 37.03 3cx5 n TYR 50 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3cx5 n THR 51 N -4.26 0.00 -0.22 2.97 5.66 0.21 -3.43 114.28 115.21 3cx5 n THR 51 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 3cx5 n THR 51 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 3cx5 n THR 51 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3cx5 n SER 52 N 0.00 0.03 -4.68 1.09 3.41 -1.19 -3.25 113.62 109.03 3cx5 n SER 52 Ca 0.00 -0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 3cx5 n SER 52 Cb 0.00 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 3cx5 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cx5 s ARG 53 N -0.10 4.31 0.17 4.33 1.81 0.10 -4.87 118.95 124.70 3cx5 s ARG 53 Ca 0.00 1.78 -0.28 0.00 -1.72 0.00 0.00 55.73 55.52 3cx5 s ARG 53 Cb 0.00 -3.60 -0.08 0.00 -0.45 0.00 0.00 34.95 30.82 3cx5 s ARG 53 CO 0.00 -0.54 0.86 -0.51 -0.68 0.00 0.00 175.30 174.44 3cx5 s LEU 54 N 2.50 4.58 0.58 2.53 1.02 -1.26 -0.64 118.68 128.00 3cx5 s LEU 54 Ca 0.59 1.76 -0.07 0.00 0.02 0.00 0.00 54.13 56.42 3cx5 s LEU 54 Cb -0.27 -3.45 -0.01 0.00 0.02 0.00 0.00 46.19 42.48 3cx5 s LEU 54 CO 0.23 0.12 0.92 -2.28 0.02 0.00 0.00 176.35 175.36 3cx5 s HIS 55 N -0.84 3.42 0.23 0.29 2.46 -0.90 -4.94 115.29 115.01 3cx5 s HIS 55 Ca 0.40 0.86 -0.31 0.00 0.47 0.00 0.00 55.06 56.48 3cx5 s HIS 55 Cb -0.24 -2.66 -0.12 0.00 -0.13 0.00 0.00 32.58 29.43 3cx5 s HIS 55 CO 0.29 -0.70 1.69 0.00 -2.47 0.00 0.00 174.74 173.55 3cx5 s ALA 56 N -3.01 3.90 0.00 1.58 0.00 -1.26 -2.62 121.76 120.34 3cx5 s ALA 56 Ca 0.53 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.08 3cx5 s ALA 56 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3cx5 s ALA 56 CO 0.48 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3cx5 n GLY 57 N 3.54 1.66 3.71 0.00 0.00 -1.26 -5.04 105.19 107.80 3cx5 n GLY 57 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3cx5 n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cx5 s VAL 58 N -2.38 4.95 0.50 1.61 -7.23 -1.08 -5.02 120.40 111.75 3cx5 s VAL 58 Ca 0.00 1.75 -0.22 0.00 -1.81 0.00 0.00 61.98 61.70 3cx5 s VAL 58 Cb 0.00 -4.18 -0.08 0.00 0.56 0.00 0.00 36.38 32.68 3cx5 s VAL 58 CO 0.00 0.19 1.06 -2.65 -0.31 0.00 0.00 175.10 173.40 3cx5 n PRO 59 N 3.93 1.31 0.00 4.82 -0.02 -1.26 -4.87 135.00 138.91 3cx5 n PRO 59 Ca 0.03 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 3cx5 n PRO 59 Cb 0.51 -2.19 0.23 0.00 -0.02 0.00 0.00 33.50 32.03 3cx5 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cx5 n SER 60 N -0.14 0.00 0.14 2.55 3.41 -1.26 -2.39 113.62 115.93 3cx5 n SER 60 Ca 0.10 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3cx5 n SER 60 Cb 0.43 -0.20 0.36 0.00 -0.26 0.00 0.00 64.21 64.54 3cx5 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3cx5 h ARG 61 N 0.00 0.00 -5.86 4.33 0.11 -1.95 -3.43 114.38 107.57 3cx5 h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3cx5 h ARG 61 Cb 0.06 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.05 3cx5 h ARG 61 CO 0.00 0.00 0.55 -0.06 0.10 0.00 0.00 179.97 180.56 3cx5 s PHE 62 N -3.16 3.31 0.00 4.08 0.08 -1.00 -2.09 117.98 119.20 3cx5 s PHE 62 Ca 0.09 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.35 3cx5 s PHE 62 Cb 0.10 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 3cx5 s PHE 62 CO 0.60 -0.43 0.00 0.43 -0.10 0.00 0.00 175.22 175.72 3cx5 n SER 63 N 6.10 0.00 -0.24 1.36 7.64 0.17 -5.01 113.62 123.64 3cx5 n SER 63 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3cx5 n SER 63 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3cx5 n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cx5 n GLY 64 N 3.66 -1.09 3.81 0.23 0.00 -1.26 -4.80 105.19 105.74 3cx5 n GLY 64 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 3cx5 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cx5 s SER 65 N -0.01 -0.18 0.00 1.61 1.04 -0.83 -4.18 113.70 111.15 3cx5 s SER 65 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3cx5 s SER 65 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3cx5 s SER 65 CO 0.00 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3cx5 n GLY 66 N -0.49 0.35 3.62 7.32 0.00 -1.26 -0.01 105.19 114.72 3cx5 n GLY 66 Ca -0.05 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3cx5 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cx5 s SER 67 N -4.00 -0.06 0.23 1.61 1.04 -0.72 -4.93 113.70 106.88 3cx5 s SER 67 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3cx5 s SER 67 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3cx5 s SER 67 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3cx5 n GLY 68 N -0.49 0.31 0.00 7.32 0.00 -1.26 -2.08 105.19 109.00 3cx5 n GLY 68 Ca -0.08 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3cx5 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cx5 n THR 69 N 0.00 0.00 -4.32 2.61 5.66 -1.26 -2.20 114.28 114.77 3cx5 n THR 69 Ca 0.00 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.58 3cx5 n THR 69 Cb 0.00 0.48 -0.13 0.00 -1.55 0.00 0.00 70.33 69.13 3cx5 n THR 69 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cx5 s ASP 70 N -1.02 4.54 0.22 1.09 1.01 -0.88 -2.44 116.67 119.19 3cx5 s ASP 70 Ca 0.00 -0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.04 3cx5 s ASP 70 Cb 0.00 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.13 3cx5 s ASP 70 CO 0.00 0.11 0.03 -0.31 0.21 0.00 0.00 175.17 175.21 3cx5 s TYR 71 N 0.70 1.41 0.18 4.23 1.51 -0.80 -1.75 117.35 122.84 3cx5 s TYR 71 Ca -0.03 -1.05 -0.06 0.00 -1.01 0.00 0.00 57.07 54.92 3cx5 s TYR 71 Cb -0.15 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 3cx5 s TYR 71 CO 0.02 -0.21 0.23 0.45 -1.11 0.00 0.00 175.55 174.94 3cx5 s SER 72 N -3.26 0.10 -0.37 2.29 0.15 0.99 -1.90 113.70 111.70 3cx5 s SER 72 Ca 0.30 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 55.90 3cx5 s SER 72 Cb 0.07 0.42 0.14 0.00 -1.71 0.00 0.00 66.02 64.93 3cx5 s SER 72 CO 0.08 -0.88 0.22 -0.22 1.20 0.00 0.00 173.24 173.64 3cx5 s LEU 73 N -3.03 1.36 -0.03 3.45 1.98 -0.86 -1.97 118.68 119.58 3cx5 s LEU 73 Ca 0.24 -2.29 -0.21 0.00 -2.89 0.00 0.00 54.13 48.97 3cx5 s LEU 73 Cb 0.04 -0.54 -0.05 0.00 0.66 0.00 0.00 46.19 46.31 3cx5 s LEU 73 CO 0.04 -0.30 0.62 -0.89 -1.89 0.00 0.00 176.35 173.94 3cx5 s THR 74 N 0.91 4.97 0.17 3.68 2.01 -1.26 -3.02 115.64 123.10 3cx5 s THR 74 Ca 0.18 1.30 0.08 0.00 0.31 0.00 0.00 61.69 63.56 3cx5 s THR 74 Cb -0.23 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3cx5 s THR 74 CO 0.01 0.35 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.59 3cx5 s ILE 75 N 0.23 3.34 -0.08 1.82 1.01 -0.88 0.43 121.20 127.06 3cx5 s ILE 75 Ca 0.33 -1.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3cx5 s ILE 75 Cb -0.18 -2.65 -0.28 0.00 0.01 0.00 0.00 42.46 39.35 3cx5 s ILE 75 CO 0.17 -0.09 0.53 -1.28 0.00 0.00 0.00 174.94 174.27 3cx5 h SER 76 N 2.91 0.51 -4.51 3.58 0.87 -1.75 -3.33 113.55 111.82 3cx5 h SER 76 Ca -0.47 -0.93 0.07 0.00 -1.23 0.00 0.00 61.79 59.23 3cx5 h SER 76 Cb 1.20 -0.16 -0.19 0.00 -0.44 0.00 0.00 62.40 62.81 3cx5 h SER 76 CO 0.55 1.79 0.46 0.54 -0.53 0.00 0.00 176.83 179.64 3cx5 s ASN 77 N -7.17 -0.42 0.00 6.23 2.20 -1.26 -3.84 114.94 110.68 3cx5 s ASN 77 Ca -0.19 0.26 0.27 0.00 -0.94 0.00 0.00 52.86 52.26 3cx5 s ASN 77 Cb 0.06 0.39 0.97 0.00 -2.00 0.00 0.00 41.25 40.66 3cx5 s ASN 77 CO 0.81 -0.53 1.71 0.18 -2.94 0.00 0.00 177.10 176.33 3cx5 n LEU 78 N 0.28 0.43 -4.72 3.54 4.32 -1.18 -4.87 117.00 114.80 3cx5 n LEU 78 Ca -0.11 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.55 3cx5 n LEU 78 Cb 0.60 -0.27 -0.04 0.00 -1.62 0.00 0.00 43.42 42.10 3cx5 n LEU 78 CO 0.15 0.09 0.79 -0.70 -1.22 0.00 0.00 177.39 176.49 3cx5 s GLU 79 N -2.75 4.55 -0.05 3.23 2.56 -1.25 -1.84 118.70 123.16 3cx5 s GLU 79 Ca 0.20 1.65 -0.19 0.00 0.00 0.00 0.00 54.97 56.63 3cx5 s GLU 79 Cb 0.19 -3.34 -0.14 0.00 2.00 0.00 0.00 34.13 32.84 3cx5 s GLU 79 CO 0.56 -0.03 0.80 -1.00 -0.56 0.00 0.00 175.26 175.03 3cx5 h PRO 80 N 5.95 -0.28 -1.57 4.30 0.13 -1.97 -3.48 132.00 135.08 3cx5 h PRO 80 Ca -0.43 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3cx5 h PRO 80 Cb 1.21 0.06 -0.22 0.00 0.13 0.00 0.00 31.00 32.18 3cx5 h PRO 80 CO 0.75 0.09 -0.26 -1.83 -0.23 0.00 0.00 178.00 176.52 3cx5 s GLU 81 N -3.37 0.52 -0.14 0.86 1.03 -0.77 -4.99 118.70 111.85 3cx5 s GLU 81 Ca -0.11 1.11 0.18 0.00 0.03 0.00 0.00 54.97 56.18 3cx5 s GLU 81 Cb 0.01 0.53 0.30 0.00 -0.80 0.00 0.00 34.13 34.16 3cx5 s GLU 81 CO 0.41 -0.45 1.16 -0.25 -1.33 0.00 0.00 175.26 174.80 3cx5 n ASP 82 N 5.43 2.28 -4.57 0.83 9.92 -1.19 -5.01 116.55 124.23 3cx5 n ASP 82 Ca -0.06 -3.16 -0.40 0.00 -0.53 0.00 0.00 54.79 50.64 3cx5 n ASP 82 Cb 0.50 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 3cx5 n ASP 82 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3cx5 s ILE 83 N -2.90 3.31 0.07 0.53 -4.36 -1.26 -4.86 121.20 111.73 3cx5 s ILE 83 Ca 0.32 0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 60.70 3cx5 s ILE 83 Cb 0.29 -3.60 0.09 0.00 1.25 0.00 0.00 42.46 40.49 3cx5 s ILE 83 CO 0.02 -0.50 1.17 0.00 0.24 0.00 0.00 174.94 175.87 3cx5 s ALA 84 N 8.81 -2.04 -0.07 2.27 0.00 -1.24 -4.50 121.76 124.99 3cx5 s ALA 84 Ca 0.80 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 3cx5 s ALA 84 Cb -0.18 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 3cx5 s ALA 84 CO 0.27 -1.09 0.42 0.99 0.00 0.00 0.00 175.76 176.35 3cx5 s THR 85 N -2.27 5.13 -0.21 0.00 2.01 -0.87 -2.40 115.64 117.03 3cx5 s THR 85 Ca 0.22 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 63.00 3cx5 s THR 85 Cb -0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3cx5 s THR 85 CO 0.01 0.45 0.01 -0.31 -0.69 0.00 0.00 174.62 174.09 3cx5 s TYR 86 N -0.16 3.03 0.06 4.92 1.51 -1.07 -0.52 117.35 125.11 3cx5 s TYR 86 Ca 0.23 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 3cx5 s TYR 86 Cb -0.15 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3cx5 s TYR 86 CO 0.11 -0.32 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.02 3cx5 s PHE 87 N 1.22 2.65 0.06 2.71 0.40 -0.72 -2.48 117.98 121.83 3cx5 s PHE 87 Ca 0.03 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.26 3cx5 s PHE 87 Cb -0.15 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 3cx5 s PHE 87 CO 0.01 0.33 -0.26 0.00 0.70 0.00 0.00 175.22 175.99 3cx5 s GLN 89 N -1.43 0.18 0.26 0.00 1.03 -0.39 -0.21 119.66 119.10 3cx5 s GLN 89 Ca 0.12 -0.03 0.05 0.00 0.04 0.00 0.00 55.36 55.55 3cx5 s GLN 89 Cb -0.10 0.08 -0.03 0.00 0.03 0.00 0.00 33.01 32.99 3cx5 s GLN 89 CO 0.03 -0.03 0.38 -3.38 -2.54 0.00 0.00 175.29 169.75 3cx5 s HIS 90 N -0.31 3.40 -0.03 9.60 -3.43 -1.13 0.00 115.29 123.39 3cx5 s HIS 90 Ca -0.04 -0.04 0.19 0.00 -0.80 0.00 0.00 55.06 54.37 3cx5 s HIS 90 Cb -0.03 -1.64 0.32 0.00 -1.43 0.00 0.00 32.58 29.80 3cx5 s HIS 90 CO 0.00 0.36 1.13 -2.39 -2.00 0.00 0.00 174.74 171.85 3cx5 n HIS 91 N -1.46 0.03 0.08 0.38 1.44 -0.75 -4.01 115.22 110.94 3cx5 n HIS 91 Ca -0.08 -0.66 -0.06 0.00 -2.01 0.00 0.00 57.72 54.91 3cx5 n HIS 91 Cb 0.57 0.07 0.08 0.00 0.12 0.00 0.00 29.99 30.83 3cx5 n HIS 91 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3cx5 h ILE 92 N 6.28 1.42 -3.14 0.61 -0.00 -1.81 -3.46 117.51 117.41 3cx5 h ILE 92 Ca -0.32 -2.17 -0.07 0.00 -0.00 0.00 0.00 64.86 62.30 3cx5 h ILE 92 Cb 1.71 2.14 -0.15 0.00 -0.00 0.00 0.00 36.82 40.51 3cx5 h ILE 92 CO -0.00 0.64 -0.08 -0.75 -0.00 0.00 0.00 178.15 177.95 3cx5 s LYS 93 N -3.59 0.98 0.16 2.19 2.20 -1.26 -5.14 119.74 115.27 3cx5 s LYS 93 Ca -0.04 -0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 54.93 3cx5 s LYS 93 Cb 0.11 0.44 -0.07 0.00 -1.51 0.00 0.00 37.83 36.80 3cx5 s LYS 93 CO 0.81 -0.36 0.59 -0.06 -0.36 0.00 0.00 175.35 175.98 3cx5 s PHE 94 N -2.95 3.64 0.46 4.03 0.08 -1.26 -4.00 117.98 117.97 3cx5 s PHE 94 Ca -0.02 1.16 -0.15 0.00 0.12 0.00 0.00 56.93 58.05 3cx5 s PHE 94 Cb 0.00 -2.44 -0.08 0.00 -0.57 0.00 0.00 43.02 39.93 3cx5 s PHE 94 CO -0.06 0.42 0.89 -1.25 -0.10 0.00 0.00 175.22 175.12 3cx5 s PRO 95 N -1.87 3.91 0.40 0.24 0.04 -1.26 -5.05 135.00 131.41 3cx5 s PRO 95 Ca 0.38 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 3cx5 s PRO 95 Cb -0.16 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3cx5 s PRO 95 CO 0.20 -0.14 1.09 -1.58 0.04 0.00 0.00 177.00 176.61 3cx5 s TRP 96 N -2.46 3.20 0.06 0.56 0.51 -1.26 -4.77 118.94 114.77 3cx5 s TRP 96 Ca 0.56 1.61 0.04 0.00 -2.12 0.00 0.00 56.10 56.20 3cx5 s TRP 96 Cb -0.10 -3.23 -0.03 0.00 -0.81 0.00 0.00 33.47 29.30 3cx5 s TRP 96 CO 0.29 -0.89 -0.13 0.99 -0.51 0.00 0.00 176.95 176.71 3cx5 s THR 97 N -1.55 0.99 0.39 2.01 2.01 -1.26 -5.03 115.64 113.20 3cx5 s THR 97 Ca 0.57 -1.17 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3cx5 s THR 97 Cb -0.26 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 3cx5 s THR 97 CO 0.32 -0.20 0.31 -0.36 -0.69 0.00 0.00 174.62 174.00 3cx5 s PHE 98 N -1.17 2.75 0.79 4.92 0.08 -1.26 -2.83 117.98 121.26 3cx5 s PHE 98 Ca -0.03 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 3cx5 s PHE 98 Cb -0.09 -1.99 0.13 0.00 -0.57 0.00 0.00 43.02 40.50 3cx5 s PHE 98 CO 0.02 0.04 1.10 0.20 -0.10 0.00 0.00 175.22 176.48 3cx5 s GLY 99 N -4.04 1.75 0.23 4.36 0.00 0.71 -4.43 107.32 105.91 3cx5 s GLY 99 Ca 0.44 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 3cx5 s GLY 99 CO 0.26 -0.79 1.69 0.00 0.00 0.00 0.00 173.10 174.27 3cx5 h ALA 100 N -0.89 0.98 0.00 3.20 0.00 -1.91 -3.45 119.26 117.19 3cx5 h ALA 100 Ca -0.41 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3cx5 h ALA 100 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3cx5 h ALA 100 CO 0.44 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.70 3cx5 n GLY 101 N -0.44 2.64 2.82 0.00 0.00 -1.26 -5.04 105.19 103.90 3cx5 n GLY 101 Ca 0.01 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 3cx5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 102 N -2.54 -0.43 -0.27 2.61 2.01 -1.03 -4.11 115.64 111.87 3cx5 s THR 102 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 3cx5 s THR 102 Cb 0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3cx5 s THR 102 CO 0.00 -0.49 1.36 -0.75 -0.69 0.00 0.00 174.62 174.05 3cx5 s LYS 103 N 1.69 3.92 -0.22 4.92 2.20 -1.26 -2.61 119.74 128.38 3cx5 s LYS 103 Ca 0.15 1.37 -0.16 0.00 -0.36 0.00 0.00 55.97 56.97 3cx5 s LYS 103 Cb -0.14 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3cx5 s LYS 103 CO -0.10 -1.12 0.42 -1.17 -0.36 0.00 0.00 175.35 173.02 3cx5 s LEU 104 N 4.46 4.12 0.00 5.43 2.96 -1.01 -3.18 118.68 131.46 3cx5 s LEU 104 Ca 0.59 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3cx5 s LEU 104 Cb -0.19 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 3cx5 s LEU 104 CO 0.24 -0.13 0.04 -0.62 -1.32 0.00 0.00 176.35 174.55 3cx5 n GLU 105 N 4.78 1.02 -4.01 1.98 1.02 -1.26 -3.63 120.64 120.54 3cx5 n GLU 105 Ca -0.08 -2.29 -0.31 0.00 -0.02 0.00 0.00 57.16 54.46 3cx5 n GLU 105 Cb 0.51 0.85 -0.06 0.00 -0.02 0.00 0.00 31.44 32.72 3cx5 n GLU 105 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3cx5 s ILE 106 N -2.31 4.85 -2.49 -3.67 -4.36 -1.25 -0.70 121.20 111.28 3cx5 s ILE 106 Ca 0.05 -0.57 0.28 0.00 -0.26 0.00 0.00 60.65 60.15 3cx5 s ILE 106 Cb 0.00 -3.32 0.56 0.00 1.25 0.00 0.00 42.46 40.95 3cx5 s ILE 106 CO 0.04 0.18 1.76 0.29 0.24 0.00 0.00 174.94 177.44