#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s SER 32 N 0.00 6.56 0.24 3.14 0.15 -1.26 -4.88 113.70 117.64 3cx5 s SER 32 Ca 0.00 2.79 0.24 0.00 0.70 0.00 0.00 55.95 59.68 3cx5 s SER 32 Cb 0.00 -2.64 0.94 0.00 -1.71 0.00 0.00 66.02 62.62 3cx5 s SER 32 CO 0.00 -0.75 1.71 0.35 1.20 0.00 0.00 173.24 175.75 3cx5 n THR 33 N 1.76 0.79 0.57 6.45 -2.24 -1.26 -1.83 114.28 118.52 3cx5 n THR 33 Ca 0.05 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3cx5 n THR 33 Cb 0.40 -1.06 0.37 0.00 -2.10 0.00 0.00 70.33 67.93 3cx5 n THR 33 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3cx5 h TYR 34 N 0.00 0.00 -2.96 4.78 0.05 -2.08 -3.40 116.97 113.36 3cx5 h TYR 34 Ca 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 3cx5 h TYR 34 Cb 0.41 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 37.95 3cx5 h TYR 34 CO 0.00 0.00 0.39 1.03 -1.05 0.00 0.00 178.16 178.53 3cx5 s ARG 35 N -3.12 3.40 0.24 4.88 0.52 -0.76 -5.03 118.95 119.09 3cx5 s ARG 35 Ca 0.10 -1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 53.23 3cx5 s ARG 35 Cb 0.11 -4.55 -0.10 0.00 0.52 0.00 0.00 34.95 30.93 3cx5 s ARG 35 CO 0.61 -1.57 1.48 0.99 0.02 0.00 0.00 175.30 176.83 3cx5 s THR 36 N 2.06 2.58 1.08 0.02 2.01 -1.26 -4.89 115.64 117.23 3cx5 s THR 36 Ca 0.21 0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 3cx5 s THR 36 Cb -0.13 -3.30 0.24 0.00 0.01 0.00 0.00 72.50 69.32 3cx5 s THR 36 CO -0.04 0.07 1.06 -2.16 -0.69 0.00 0.00 174.62 172.87 3cx5 s PRO 37 N -0.13 -0.27 -0.16 4.92 0.04 -1.26 -4.94 135.00 133.19 3cx5 s PRO 37 Ca 0.62 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 3cx5 s PRO 37 Cb -0.43 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3cx5 s PRO 37 CO 0.42 -3.35 1.10 1.21 0.04 0.00 0.00 177.00 176.42 3cx5 s ASN 38 N -2.61 7.09 0.00 6.66 3.84 -1.26 -4.89 114.94 123.77 3cx5 s ASN 38 Ca 0.68 1.55 0.03 0.00 0.21 0.00 0.00 52.86 55.32 3cx5 s ASN 38 Cb -0.24 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 3cx5 s ASN 38 CO 0.62 -0.62 0.40 0.49 -2.79 0.00 0.00 177.10 175.19 3cx5 n PHE 39 N 5.91 0.00 -0.45 0.43 3.01 -1.26 -4.78 117.46 120.32 3cx5 n PHE 39 Ca 0.11 0.00 0.37 0.00 1.01 0.00 0.00 57.45 58.95 3cx5 n PHE 39 Cb 0.46 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.59 3cx5 n PHE 39 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3cx5 h ASP 40 N 0.37 0.23 -0.51 4.37 3.32 -1.91 0.18 116.42 122.47 3cx5 h ASP 40 Ca 0.00 0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.27 3cx5 h ASP 40 Cb 0.11 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3cx5 h ASP 40 CO 0.00 -0.16 0.35 -2.24 -1.72 0.00 0.00 179.24 175.47 3cx5 h ASP 41 N 0.09 0.25 0.00 6.45 3.04 -2.03 -2.96 116.42 121.27 3cx5 h ASP 41 Ca 0.81 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.61 3cx5 h ASP 41 Cb 2.59 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 40.83 3cx5 h ASP 41 CO -0.38 0.15 -0.86 1.33 -2.04 0.00 0.00 179.24 177.44 3cx5 n VAL 42 N -4.46 0.00 -2.42 4.15 0.24 0.57 -5.02 118.33 111.39 3cx5 n VAL 42 Ca 0.08 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 3cx5 n VAL 42 Cb 0.38 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.42 3cx5 n VAL 42 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3cx5 s LEU 43 N -2.96 4.38 -0.40 1.34 1.43 -0.73 -4.96 118.68 116.78 3cx5 s LEU 43 Ca 0.01 2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 3cx5 s LEU 43 Cb 0.07 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 3cx5 s LEU 43 CO 0.40 -0.37 1.58 -1.59 0.23 0.00 0.00 176.35 176.61 3cx5 s LYS 44 N -1.88 3.41 -0.06 1.70 -2.85 -1.26 -4.89 119.74 113.91 3cx5 s LYS 44 Ca 0.50 1.08 -0.21 0.00 -1.00 0.00 0.00 55.97 56.33 3cx5 s LYS 44 Cb -0.30 -4.12 -0.16 0.00 -2.06 0.00 0.00 37.83 31.18 3cx5 s LYS 44 CO 0.39 -1.77 0.87 0.93 0.10 0.00 0.00 175.35 175.87 3cx5 h GLU 45 N 11.79 -0.17 -7.28 1.78 3.07 -1.93 -3.46 114.58 118.38 3cx5 h GLU 45 Ca -0.30 0.01 -0.52 0.00 -0.50 0.00 0.00 59.36 58.06 3cx5 h GLU 45 Cb 1.13 0.04 0.18 0.00 -0.84 0.00 0.00 28.75 29.26 3cx5 h GLU 45 CO 1.08 0.30 0.25 -0.80 -1.40 0.00 0.00 179.01 178.44 3cx5 s ASN 46 N -5.56 3.35 0.86 1.42 -0.87 -1.26 -5.03 114.94 107.84 3cx5 s ASN 46 Ca -0.13 2.08 0.00 0.00 -1.57 0.00 0.00 52.86 53.24 3cx5 s ASN 46 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3cx5 s ASN 46 CO 0.49 -2.82 0.00 0.59 -2.57 0.00 0.00 177.10 172.80 3cx5 n ASN 47 N -4.04 -1.27 -2.40 -1.22 5.03 -1.26 -4.81 115.26 105.29 3cx5 n ASN 47 Ca 0.11 -0.22 -0.04 0.00 0.87 0.00 0.00 54.58 55.30 3cx5 n ASN 47 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3cx5 n ASN 47 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3cx5 n ASP 48 N -2.57 -6.13 0.00 6.41 4.64 -1.26 -4.87 116.55 112.77 3cx5 n ASP 48 Ca 0.00 0.59 0.04 0.00 -1.38 0.00 0.00 54.79 54.03 3cx5 n ASP 48 Cb 0.00 -4.03 0.21 0.00 -1.04 0.00 0.00 41.12 36.27 3cx5 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3cx5 n ALA 49 N -0.07 2.14 0.46 -1.67 0.00 -1.26 -2.70 120.51 117.41 3cx5 n ALA 49 Ca 0.05 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.52 3cx5 n ALA 49 Cb 0.21 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.61 3cx5 n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cx5 n ASP 50 N -0.69 2.22 0.04 0.00 10.43 -1.26 -4.64 116.55 122.65 3cx5 n ASP 50 Ca 0.05 -1.60 -0.11 0.00 2.57 0.00 0.00 54.79 55.70 3cx5 n ASP 50 Cb 0.02 -0.03 -0.06 0.00 1.84 0.00 0.00 41.12 42.89 3cx5 n ASP 50 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3cx5 h LYS 51 N 2.56 -0.08 -0.60 -1.24 3.64 -1.85 0.63 116.57 119.63 3cx5 h LYS 51 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3cx5 h LYS 51 Cb 0.58 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3cx5 h LYS 51 CO 0.00 -0.05 0.30 0.78 -2.27 0.00 0.00 179.45 178.21 3cx5 h GLY 52 N -0.08 0.89 0.70 5.01 0.00 -1.84 -2.09 103.07 105.65 3cx5 h GLY 52 Ca 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3cx5 h GLY 52 CO -0.05 0.38 -0.00 -0.09 0.00 0.00 0.00 176.54 176.78 3cx5 h ARG 53 N 0.83 0.06 -0.68 4.80 2.43 -1.71 -1.09 114.38 119.02 3cx5 h ARG 53 Ca 0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3cx5 h ARG 53 Cb 0.06 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3cx5 h ARG 53 CO -0.03 0.37 0.37 0.77 -1.51 0.00 0.00 179.97 179.93 3cx5 h SER 54 N -0.26 0.85 -0.23 -3.80 0.02 -0.74 0.67 113.55 110.07 3cx5 h SER 54 Ca 0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3cx5 h SER 54 Cb 0.34 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3cx5 h SER 54 CO 0.00 0.71 0.05 1.88 -1.14 0.00 0.00 176.83 178.33 3cx5 h TYR 55 N 0.93 0.39 -0.60 3.45 0.05 -1.40 -1.75 116.97 118.03 3cx5 h TYR 55 Ca 0.24 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3cx5 h TYR 55 Cb 0.05 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3cx5 h TYR 55 CO -0.00 0.48 0.34 0.00 -1.05 0.00 0.00 178.16 177.92 3cx5 h ALA 56 N 0.86 0.77 0.00 3.88 0.00 -0.88 -1.68 119.26 122.22 3cx5 h ALA 56 Ca 0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3cx5 h ALA 56 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3cx5 h ALA 56 CO 0.00 0.28 -0.53 1.88 0.00 0.00 0.00 179.25 180.89 3cx5 h TYR 57 N 0.82 0.00 -0.26 0.00 0.05 -0.86 -1.59 116.97 115.12 3cx5 h TYR 57 Ca 0.21 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.82 3cx5 h TYR 57 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 3cx5 h TYR 57 CO -0.01 0.53 -0.51 0.35 -1.05 0.00 0.00 178.16 177.47 3cx5 h PHE 58 N 0.00 1.02 -0.02 4.88 3.57 -1.00 0.17 116.94 125.55 3cx5 h PHE 58 Ca -0.01 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 3cx5 h PHE 58 Cb 1.07 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3cx5 h PHE 58 CO 0.00 1.18 0.01 0.52 -2.23 0.00 0.00 178.31 177.78 3cx5 h MET 59 N 0.57 0.03 -0.49 1.11 2.86 -1.18 0.39 114.93 118.21 3cx5 h MET 59 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3cx5 h MET 59 Cb 1.11 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 3cx5 h MET 59 CO 0.11 0.20 0.28 0.28 1.06 0.00 0.00 176.91 178.85 3cx5 h VAL 60 N -0.16 1.17 -0.09 -2.22 2.07 -1.31 -1.08 116.25 114.63 3cx5 h VAL 60 Ca 0.01 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3cx5 h VAL 60 Cb 0.19 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3cx5 h VAL 60 CO -0.00 0.17 0.05 1.23 0.02 0.00 0.00 177.57 179.05 3cx5 h GLY 61 N 0.66 0.13 1.43 2.17 0.00 -0.83 0.01 103.07 106.64 3cx5 h GLY 61 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3cx5 h GLY 61 CO -0.03 0.06 0.21 0.00 0.00 0.00 0.00 176.54 176.78 3cx5 h ALA 62 N 0.98 1.40 -0.36 3.60 0.00 -0.82 -0.25 119.26 123.80 3cx5 h ALA 62 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3cx5 h ALA 62 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3cx5 h ALA 62 CO -0.01 0.46 -0.14 1.98 0.00 0.00 0.00 179.25 181.54 3cx5 h MET 63 N 0.74 0.74 -0.33 0.00 4.05 -0.84 -1.34 114.93 117.94 3cx5 h MET 63 Ca 0.18 -0.31 -0.07 0.00 -0.28 0.00 0.00 59.70 59.22 3cx5 h MET 63 Cb 0.14 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3cx5 h MET 63 CO -0.02 0.91 -0.08 0.78 0.23 0.00 0.00 176.91 178.73 3cx5 h GLY 64 N 0.53 0.60 0.57 1.39 0.00 -0.51 -0.80 103.07 104.84 3cx5 h GLY 64 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3cx5 h GLY 64 CO 0.05 0.38 -0.12 -2.00 0.00 0.00 0.00 176.54 174.84 3cx5 h LEU 65 N 0.52 -0.28 -1.38 3.11 5.85 -0.88 -1.35 115.31 120.90 3cx5 h LEU 65 Ca 0.10 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3cx5 h LEU 65 Cb 0.46 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3cx5 h LEU 65 CO 0.02 0.14 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.02 3cx5 h LEU 66 N -0.77 0.18 -0.55 2.25 3.38 -1.23 -1.49 115.31 117.07 3cx5 h LEU 66 Ca -0.03 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3cx5 h LEU 66 Cb 0.50 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3cx5 h LEU 66 CO 0.06 0.38 -0.49 0.28 0.09 0.00 0.00 178.44 178.75 3cx5 h SER 67 N 0.17 0.65 -0.43 -0.43 0.02 -1.16 -0.24 113.55 112.15 3cx5 h SER 67 Ca 0.03 -0.33 -0.14 0.00 -0.84 0.00 0.00 61.79 60.52 3cx5 h SER 67 Cb 0.43 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3cx5 h SER 67 CO 0.03 1.04 -0.26 0.28 -1.14 0.00 0.00 176.83 176.77 3cx5 h SER 68 N 0.48 0.98 0.23 3.07 0.02 -0.72 0.18 113.55 117.79 3cx5 h SER 68 Ca 0.02 -0.42 -0.14 0.00 -0.84 0.00 0.00 61.79 60.42 3cx5 h SER 68 Cb 1.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3cx5 h SER 68 CO 0.10 1.19 -0.52 0.00 -1.14 0.00 0.00 176.83 176.45 3cx5 h ALA 69 N 0.82 0.89 -0.29 3.77 0.00 -1.24 -1.84 119.26 121.38 3cx5 h ALA 69 Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3cx5 h ALA 69 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3cx5 h ALA 69 CO 0.07 0.67 -0.18 0.78 0.00 0.00 0.00 179.25 180.60 3cx5 h GLY 70 N 1.29 0.69 0.99 0.00 0.00 -0.80 -1.51 103.07 103.74 3cx5 h GLY 70 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 3cx5 h GLY 70 CO 0.09 0.59 0.21 0.00 0.00 0.00 0.00 176.54 177.42 3cx5 h ALA 71 N 0.73 0.74 -0.25 3.60 0.00 -0.91 -1.07 119.26 122.10 3cx5 h ALA 71 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3cx5 h ALA 71 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3cx5 h ALA 71 CO 0.05 0.38 0.14 -0.22 0.00 0.00 0.00 179.25 179.59 3cx5 h LYS 72 N 0.79 0.36 -0.97 0.00 3.64 -1.29 -0.09 116.57 119.02 3cx5 h LYS 72 Ca 0.19 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3cx5 h LYS 72 Cb 0.23 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3cx5 h LYS 72 CO -0.01 0.33 0.64 0.77 -2.27 0.00 0.00 179.45 178.91 3cx5 h SER 73 N 0.29 1.10 -0.18 4.20 0.02 -1.12 -0.87 113.55 117.00 3cx5 h SER 73 Ca 0.09 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3cx5 h SER 73 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3cx5 h SER 73 CO -0.01 0.80 0.01 0.74 -1.14 0.00 0.00 176.83 177.22 3cx5 h THR 74 N 1.30 1.24 -0.65 -2.27 2.02 -0.78 -0.76 112.91 113.02 3cx5 h THR 74 Ca 0.36 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3cx5 h THR 74 Cb -0.14 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3cx5 h THR 74 CO -0.08 0.24 0.32 0.58 0.37 0.00 0.00 175.52 176.95 3cx5 h VAL 75 N 0.07 1.22 -0.26 3.16 2.07 -0.78 -2.28 116.25 119.46 3cx5 h VAL 75 Ca 0.05 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3cx5 h VAL 75 Cb 0.35 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3cx5 h VAL 75 CO 0.01 0.25 -0.14 -0.33 0.02 0.00 0.00 177.57 177.39 3cx5 h GLU 76 N 0.90 0.44 -0.18 1.57 5.08 -1.08 0.28 114.58 121.58 3cx5 h GLU 76 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3cx5 h GLU 76 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3cx5 h GLU 76 CO -0.03 0.57 0.07 1.15 -1.00 0.00 0.00 179.01 179.77 3cx5 h THR 77 N 0.40 1.16 -0.16 1.13 2.02 -0.70 0.28 112.91 117.04 3cx5 h THR 77 Ca 0.08 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 3cx5 h THR 77 Cb 0.48 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3cx5 h THR 77 CO 0.03 0.16 0.00 -0.26 0.37 0.00 0.00 175.52 175.82 3cx5 h PHE 78 N 0.14 0.31 -0.56 3.16 0.04 -1.16 -2.81 116.94 116.06 3cx5 h PHE 78 Ca 0.06 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3cx5 h PHE 78 Cb 0.18 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3cx5 h PHE 78 CO -0.01 0.50 0.34 0.82 -0.60 0.00 0.00 178.31 179.36 3cx5 h ILE 79 N 0.04 1.06 0.00 -0.55 2.04 -0.88 -2.12 117.51 117.10 3cx5 h ILE 79 Ca 0.05 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3cx5 h ILE 79 Cb 0.37 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3cx5 h ILE 79 CO 0.01 0.12 -0.02 0.77 0.00 0.00 0.00 178.15 179.03 3cx5 h SER 80 N 0.67 0.00 0.82 1.72 4.64 -0.90 -1.87 113.55 118.63 3cx5 h SER 80 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3cx5 h SER 80 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3cx5 h SER 80 CO -0.10 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 176.64 3cx5 h SER 81 N 0.00 0.00 0.66 4.97 4.64 -1.11 -2.09 113.55 120.61 3cx5 h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cx5 h SER 81 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3cx5 h SER 81 CO 0.00 0.00 -0.52 0.23 -0.87 0.00 0.00 176.83 175.67 3cx5 n MET 82 N -2.66 0.11 -1.50 4.77 2.00 -0.70 -4.90 117.12 114.23 3cx5 n MET 82 Ca 0.01 0.03 -0.31 0.00 0.00 0.00 0.00 57.70 57.43 3cx5 n MET 82 Cb 0.25 -1.56 0.06 0.00 0.00 0.00 0.00 33.22 31.97 3cx5 n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cx5 s THR 83 N -3.06 3.72 -0.12 2.03 -4.23 -0.79 -4.89 115.64 108.30 3cx5 s THR 83 Ca 0.09 0.59 -0.41 0.00 -1.18 0.00 0.00 61.69 60.79 3cx5 s THR 83 Cb 0.16 -3.21 -0.19 0.00 1.34 0.00 0.00 72.50 70.61 3cx5 s THR 83 CO 0.70 -0.70 1.34 0.00 -0.54 0.00 0.00 174.62 175.42 3cx5 n ALA 84 N -3.16 -2.00 -1.55 3.99 0.00 -1.26 -4.92 120.51 111.60 3cx5 n ALA 84 Ca 0.08 0.53 -0.32 0.00 0.00 0.00 0.00 53.44 53.73 3cx5 n ALA 84 Cb 0.53 -1.94 0.04 0.00 0.00 0.00 0.00 19.45 18.08 3cx5 n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cx5 s THR 85 N 1.25 3.68 0.46 0.00 -4.23 -1.26 -4.89 115.64 110.66 3cx5 s THR 85 Ca 0.93 0.69 0.24 0.00 -1.18 0.00 0.00 61.69 62.37 3cx5 s THR 85 Cb -1.21 -3.26 0.43 0.00 1.34 0.00 0.00 72.50 69.80 3cx5 s THR 85 CO 0.61 -0.57 1.84 0.00 -0.54 0.00 0.00 174.62 175.95 3cx5 h ALA 86 N -0.17 2.51 0.00 3.99 0.00 -2.00 -1.31 119.26 122.28 3cx5 h ALA 86 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cx5 h ALA 86 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3cx5 h ALA 86 CO 0.56 -0.82 -0.12 -0.40 0.00 0.00 0.00 179.25 178.46 3cx5 n ASP 87 N -4.43 0.41 -0.00 0.00 3.85 -1.26 -3.67 116.55 111.45 3cx5 n ASP 87 Ca 0.21 0.40 0.09 0.00 -0.71 0.00 0.00 54.79 54.79 3cx5 n ASP 87 Cb 0.88 -0.45 -0.12 0.00 -1.35 0.00 0.00 41.12 40.08 3cx5 n ASP 87 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3cx5 n VAL 88 N -1.83 0.00 1.30 2.12 0.24 -0.51 -4.34 118.33 115.31 3cx5 n VAL 88 Ca 0.06 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3cx5 n VAL 88 Cb 0.38 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 3cx5 n VAL 88 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3cx5 n LEU 89 N -1.58 0.44 -4.56 1.34 4.77 -1.14 -4.77 117.00 111.51 3cx5 n LEU 89 Ca 0.02 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 3cx5 n LEU 89 Cb 0.34 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3cx5 n LEU 89 CO 0.40 0.11 0.51 0.00 -1.33 0.00 0.00 177.39 177.08 3cx5 s ALA 90 N -1.49 3.37 -0.17 -1.18 0.00 -1.26 -5.04 121.76 116.00 3cx5 s ALA 90 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3cx5 s ALA 90 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3cx5 s ALA 90 CO 0.00 -1.65 0.31 -1.64 0.00 0.00 0.00 175.76 172.78 3cx5 s MET 91 N 3.06 4.25 0.00 0.00 -1.94 -1.26 -4.98 119.30 118.43 3cx5 s MET 91 Ca 0.28 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.37 3cx5 s MET 91 Cb -0.13 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.26 3cx5 s MET 91 CO 0.19 0.19 0.00 0.00 -0.01 0.00 0.00 175.02 175.39 3cx5 n ALA 92 N 3.72 0.00 -3.28 3.03 0.00 -1.26 -5.11 120.51 117.61 3cx5 n ALA 92 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 3cx5 n ALA 92 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 3cx5 n ALA 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cx5 s LYS 93 N 2.39 0.43 -0.01 0.00 2.47 -1.26 -4.76 119.74 118.99 3cx5 s LYS 93 Ca 0.00 0.58 -0.13 0.00 -1.56 0.00 0.00 55.97 54.86 3cx5 s LYS 93 Cb 0.00 -0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.17 3cx5 s LYS 93 CO 0.00 -0.73 0.37 0.54 0.16 0.00 0.00 175.35 175.70 3cx5 s VAL 94 N 2.64 5.09 -0.08 4.02 0.11 -1.26 -4.94 120.40 125.99 3cx5 s VAL 94 Ca 0.14 0.73 0.01 0.00 -2.93 0.00 0.00 61.98 59.94 3cx5 s VAL 94 Cb -0.14 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.01 3cx5 s VAL 94 CO -0.20 0.56 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.42 3cx5 s GLU 95 N -1.14 2.80 -0.10 1.54 2.02 -1.26 -3.65 118.70 118.91 3cx5 s GLU 95 Ca 0.23 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.62 3cx5 s GLU 95 Cb -0.16 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.55 3cx5 s GLU 95 CO 0.13 0.56 -0.16 0.08 0.02 0.00 0.00 175.26 175.89 3cx5 s VAL 96 N -0.54 1.53 -0.76 2.63 1.01 -1.26 -5.00 120.40 118.01 3cx5 s VAL 96 Ca 0.08 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 3cx5 s VAL 96 Cb -0.12 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3cx5 s VAL 96 CO 0.02 0.45 1.69 0.21 0.00 0.00 0.00 175.10 177.46 3cx5 s ASN 97 N 0.86 5.61 0.62 3.32 3.04 -1.26 -4.10 114.94 123.02 3cx5 s ASN 97 Ca -0.09 -0.31 0.38 0.00 0.04 0.00 0.00 52.86 52.88 3cx5 s ASN 97 Cb -0.15 -2.55 2.04 0.00 -1.54 0.00 0.00 41.25 39.05 3cx5 s ASN 97 CO 0.00 -2.22 2.26 -0.07 -3.04 0.00 0.00 177.10 174.03 3cx5 h LEU 98 N 15.49 0.00 -1.28 3.21 3.38 -0.79 -2.23 115.31 133.09 3cx5 h LEU 98 Ca -0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3cx5 h LEU 98 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3cx5 h LEU 98 CO 1.26 0.02 -0.31 0.00 0.09 0.00 0.00 178.44 179.50 3cx5 h ALA 99 N 1.98 1.18 -0.00 1.53 0.00 -1.88 -2.89 119.26 119.18 3cx5 h ALA 99 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cx5 h ALA 99 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cx5 h ALA 99 CO 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 3cx5 n ALA 100 N -2.34 2.67 -2.54 0.00 0.00 -0.84 -4.77 120.51 112.69 3cx5 n ALA 100 Ca -0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 3cx5 n ALA 100 Cb 0.41 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 3cx5 n ALA 100 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cx5 s ILE 101 N -2.39 5.23 0.71 0.00 1.01 -1.09 -5.08 121.20 119.58 3cx5 s ILE 101 Ca 0.33 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 3cx5 s ILE 101 Cb 0.20 -3.75 0.17 0.00 0.01 0.00 0.00 42.46 39.09 3cx5 s ILE 101 CO 0.45 -0.03 0.39 -2.65 0.00 0.00 0.00 174.94 173.09 3cx5 n PRO 102 N 5.24 -2.60 0.00 2.79 -0.02 -1.26 -4.97 135.00 134.18 3cx5 n PRO 102 Ca -0.11 -0.65 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 3cx5 n PRO 102 Cb 0.50 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 3cx5 n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3cx5 n LEU 103 N 0.00 0.00 -2.85 2.45 7.94 -1.26 -4.07 117.00 119.21 3cx5 n LEU 103 Ca 0.06 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.71 3cx5 n LEU 103 Cb 0.27 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.15 3cx5 n LEU 103 CO 0.18 0.00 2.47 0.61 -1.11 0.00 0.00 177.39 179.53 3cx5 n GLY 104 N 0.00 3.42 3.32 -3.96 0.00 -1.24 -4.05 105.19 102.69 3cx5 n GLY 104 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 3cx5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cx5 s LYS 105 N 2.18 1.70 0.03 1.61 -0.14 -1.26 -4.99 119.74 118.88 3cx5 s LYS 105 Ca 0.58 -1.06 -0.09 0.00 -1.36 0.00 0.00 55.97 54.04 3cx5 s LYS 105 Cb 0.19 -1.86 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 3cx5 s LYS 105 CO -0.03 0.48 0.33 -0.80 -0.76 0.00 0.00 175.35 174.57 3cx5 s ASN 106 N -1.20 6.58 -0.02 2.83 0.02 -1.26 -3.02 114.94 118.86 3cx5 s ASN 106 Ca 0.11 0.69 0.03 0.00 -1.02 0.00 0.00 52.86 52.66 3cx5 s ASN 106 Cb -0.10 -2.14 -0.00 0.00 0.02 0.00 0.00 41.25 39.03 3cx5 s ASN 106 CO 0.02 0.23 -0.10 -0.69 0.02 0.00 0.00 177.10 176.58 3cx5 s VAL 107 N -1.31 0.80 -0.13 1.60 1.01 0.19 -5.01 120.40 117.55 3cx5 s VAL 107 Ca 0.29 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3cx5 s VAL 107 Cb -0.14 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3cx5 s VAL 107 CO 0.16 0.24 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 3cx5 s VAL 108 N 0.01 1.70 0.06 2.92 1.01 -1.26 -1.03 120.40 123.82 3cx5 s VAL 108 Ca -0.00 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3cx5 s VAL 108 Cb -0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3cx5 s VAL 108 CO 0.00 0.48 -0.13 0.68 0.00 0.00 0.00 175.10 176.13 3cx5 s VAL 109 N 1.01 1.00 -0.03 2.92 -7.23 -0.84 -4.94 120.40 112.28 3cx5 s VAL 109 Ca -0.05 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 58.67 3cx5 s VAL 109 Cb -0.15 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 3cx5 s VAL 109 CO -0.03 -0.23 0.65 -0.75 -0.31 0.00 0.00 175.10 174.42 3cx5 s LYS 110 N -1.65 4.39 -0.10 4.82 2.20 -1.26 -0.18 119.74 127.97 3cx5 s LYS 110 Ca -0.03 0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 56.35 3cx5 s LYS 110 Cb -0.10 -3.40 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3cx5 s LYS 110 CO 0.02 0.21 0.11 -0.46 -0.36 0.00 0.00 175.35 174.87 3cx5 s TRP 111 N 0.32 0.00 -1.45 4.03 -0.00 -0.35 -4.84 118.94 116.64 3cx5 s TRP 111 Ca 0.34 0.21 -0.11 0.00 -0.00 0.00 0.00 56.10 56.54 3cx5 s TRP 111 Cb -0.18 -0.47 0.05 0.00 -0.00 0.00 0.00 33.47 32.87 3cx5 s TRP 111 CO 0.18 -0.33 0.99 0.94 -0.00 0.00 0.00 176.95 178.73 3cx5 n GLN 112 N 5.30 -6.33 0.00 5.86 7.27 -1.26 -1.50 117.38 126.72 3cx5 n GLN 112 Ca -0.05 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.75 3cx5 n GLN 112 Cb 0.50 -5.67 0.00 0.00 2.41 0.00 0.00 30.24 27.48 3cx5 n GLN 112 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cx5 n GLY 113 N -1.77 2.54 3.89 1.69 0.00 -1.26 -4.99 105.19 105.28 3cx5 n GLY 113 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3cx5 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cx5 s LYS 114 N 0.00 3.61 0.30 1.61 1.02 -0.56 -5.05 119.74 120.67 3cx5 s LYS 114 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 3cx5 s LYS 114 Cb 0.00 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 3cx5 s LYS 114 CO 0.00 0.58 1.06 -1.25 -0.92 0.00 0.00 175.35 174.82 3cx5 s PRO 115 N -2.10 4.57 -0.19 -1.68 0.04 -1.26 -1.22 135.00 133.17 3cx5 s PRO 115 Ca 0.33 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3cx5 s PRO 115 Cb -0.13 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3cx5 s PRO 115 CO 0.20 0.19 -0.17 0.08 0.04 0.00 0.00 177.00 177.33 3cx5 s VAL 116 N -1.27 1.98 0.02 -0.36 1.01 0.75 -0.77 120.40 121.75 3cx5 s VAL 116 Ca 0.47 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 3cx5 s VAL 116 Cb -0.29 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3cx5 s VAL 116 CO 0.37 0.42 0.78 -0.36 0.00 0.00 0.00 175.10 176.30 3cx5 s PHE 117 N 1.30 3.69 -0.10 5.22 2.99 0.16 -1.99 117.98 129.25 3cx5 s PHE 117 Ca 0.02 1.45 -0.02 0.00 0.00 0.00 0.00 56.93 58.39 3cx5 s PHE 117 Cb -0.14 -2.85 0.04 0.00 0.00 0.00 0.00 43.02 40.06 3cx5 s PHE 117 CO -0.11 0.20 0.03 0.42 -0.00 0.00 0.00 175.22 175.76 3cx5 s ILE 118 N 0.25 0.21 -0.02 0.64 1.01 -0.19 -1.72 121.20 121.38 3cx5 s ILE 118 Ca 0.40 0.04 0.06 0.00 0.00 0.00 0.00 60.65 61.16 3cx5 s ILE 118 Cb -0.20 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3cx5 s ILE 118 CO 0.23 0.08 -0.21 -0.60 0.00 0.00 0.00 174.94 174.44 3cx5 s ARG 119 N 2.03 1.80 -0.79 2.79 3.52 -0.57 -0.64 118.95 127.09 3cx5 s ARG 119 Ca 0.04 -0.76 -0.18 0.00 -0.13 0.00 0.00 55.73 54.70 3cx5 s ARG 119 Cb -0.14 -1.70 0.14 0.00 -1.56 0.00 0.00 34.95 31.70 3cx5 s ARG 119 CO -0.06 0.43 0.91 -1.58 -0.81 0.00 0.00 175.30 174.19 3cx5 s HIS 120 N -0.41 3.20 0.30 5.12 5.65 -1.17 -1.58 115.29 126.39 3cx5 s HIS 120 Ca 0.06 -1.34 -0.29 0.00 0.25 0.00 0.00 55.06 53.74 3cx5 s HIS 120 Cb -0.09 -4.10 -0.10 0.00 -1.18 0.00 0.00 32.58 27.11 3cx5 s HIS 120 CO -0.00 -1.33 1.23 1.03 -0.65 0.00 0.00 174.74 175.02 3cx5 s ARG 121 N 2.21 4.47 0.72 2.88 0.52 -0.06 -3.67 118.95 126.02 3cx5 s ARG 121 Ca 0.22 2.04 -0.11 0.00 -0.52 0.00 0.00 55.73 57.36 3cx5 s ARG 121 Cb -0.13 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.24 3cx5 s ARG 121 CO -0.03 -0.05 1.10 0.95 0.02 0.00 0.00 175.30 177.29 3cx5 s THR 122 N -0.99 3.15 0.27 0.02 -4.23 -1.26 -4.78 115.64 107.81 3cx5 s THR 122 Ca 0.48 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 61.27 3cx5 s THR 122 Cb -0.36 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.38 3cx5 s THR 122 CO 0.47 -0.46 1.91 -0.65 -0.54 0.00 0.00 174.62 175.35 3cx5 h PRO 123 N -0.70 1.20 -0.74 3.99 0.11 -1.97 -0.73 132.00 133.15 3cx5 h PRO 123 Ca -0.45 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3cx5 h PRO 123 Cb 1.27 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3cx5 h PRO 123 CO 0.64 0.79 0.35 1.25 -0.21 0.00 0.00 178.00 180.82 3cx5 h HIS 124 N 1.24 1.08 -0.42 0.65 -0.00 -2.00 -2.33 115.15 113.36 3cx5 h HIS 124 Ca 0.39 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.57 3cx5 h HIS 124 Cb 0.01 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 3cx5 h HIS 124 CO -0.00 0.80 -0.29 0.93 -0.00 0.00 0.00 177.93 179.37 3cx5 h GLU 125 N 1.05 0.93 -0.53 5.26 5.08 -1.77 -1.79 114.58 122.81 3cx5 h GLU 125 Ca 0.25 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3cx5 h GLU 125 Cb 0.13 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3cx5 h GLU 125 CO -0.03 1.09 0.32 0.82 -1.00 0.00 0.00 179.01 180.21 3cx5 h ILE 126 N 0.78 1.16 -0.56 3.13 2.04 -0.94 0.73 117.51 123.85 3cx5 h ILE 126 Ca 0.09 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3cx5 h ILE 126 Cb 0.86 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3cx5 h ILE 126 CO 0.08 0.16 -0.01 -0.61 0.00 0.00 0.00 178.15 177.77 3cx5 h GLN 127 N 0.71 0.97 -0.78 2.37 4.15 -1.35 -1.93 115.11 119.24 3cx5 h GLN 127 Ca 0.19 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3cx5 h GLN 127 Cb -0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 3cx5 h GLN 127 CO -0.04 0.96 0.45 1.49 -1.93 0.00 0.00 178.83 179.76 3cx5 h GLU 128 N 0.89 1.08 -0.58 1.69 4.81 -0.73 -2.10 114.58 119.64 3cx5 h GLU 128 Ca 0.16 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3cx5 h GLU 128 Cb 0.53 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3cx5 h GLU 128 CO 0.03 0.79 0.13 0.00 -0.73 0.00 0.00 179.01 179.22 3cx5 h ALA 129 N 1.24 0.76 -0.55 2.92 0.00 -0.40 -3.11 119.26 120.11 3cx5 h ALA 129 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cx5 h ALA 129 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3cx5 h ALA 129 CO -0.05 0.48 0.00 0.27 0.00 0.00 0.00 179.25 179.95 3cx5 n ASN 130 N -4.37 4.16 -0.38 0.00 0.23 -0.77 -4.33 115.26 109.80 3cx5 n ASN 130 Ca 0.03 -2.39 0.08 0.00 -0.53 0.00 0.00 54.58 51.76 3cx5 n ASN 130 Cb 0.24 -0.54 0.17 0.00 -2.08 0.00 0.00 39.78 37.58 3cx5 n ASN 130 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3cx5 n SER 131 N 0.92 1.95 -4.58 0.53 7.64 -0.80 -4.99 113.62 114.29 3cx5 n SER 131 Ca 0.22 -3.51 -0.34 0.00 1.01 0.00 0.00 58.87 56.25 3cx5 n SER 131 Cb 0.79 -0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 63.40 3cx5 n SER 131 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cx5 s VAL 132 N -3.00 4.29 0.21 0.44 1.01 -1.26 -5.03 120.40 117.06 3cx5 s VAL 132 Ca 0.35 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3cx5 s VAL 132 Cb 0.33 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3cx5 s VAL 132 CO -0.03 0.50 1.43 -0.62 0.00 0.00 0.00 175.10 176.38 3cx5 s ASP 133 N 0.18 6.72 0.54 3.32 3.68 -1.26 -4.91 116.67 124.94 3cx5 s ASP 133 Ca 0.01 2.56 0.20 0.00 2.13 0.00 0.00 52.55 57.45 3cx5 s ASP 133 Cb -0.13 -2.61 1.41 0.00 -1.45 0.00 0.00 42.92 40.14 3cx5 s ASP 133 CO 0.02 -0.68 2.15 0.24 0.13 0.00 0.00 175.17 177.03 3cx5 h MET 134 N 5.63 0.00 0.00 4.34 2.86 -1.96 -1.92 114.93 123.87 3cx5 h MET 134 Ca -0.45 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3cx5 h MET 134 Cb 1.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 3cx5 h MET 134 CO 0.81 0.00 -0.01 0.66 1.06 0.00 0.00 176.91 179.43 3cx5 h SER 135 N 0.00 0.00 -0.10 1.22 4.64 -2.04 -0.88 113.55 116.40 3cx5 h SER 135 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3cx5 h SER 135 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3cx5 h SER 135 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cx5 n ALA 136 N -2.15 2.56 -2.89 5.18 0.00 -0.72 -4.88 120.51 117.60 3cx5 n ALA 136 Ca -0.03 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 3cx5 n ALA 136 Cb 0.09 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3cx5 n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cx5 s LEU 137 N -1.69 2.50 0.41 0.00 1.43 -0.34 -4.98 118.68 116.01 3cx5 s LEU 137 Ca 0.34 -0.37 0.22 0.00 -1.03 0.00 0.00 54.13 53.30 3cx5 s LEU 137 Cb 0.18 -1.52 0.63 0.00 0.03 0.00 0.00 46.19 45.50 3cx5 s LEU 137 CO 0.28 0.22 1.70 0.07 0.23 0.00 0.00 176.35 178.85 3cx5 h LYS 138 N 6.27 0.00 -2.60 1.70 2.10 -1.86 -3.32 116.57 118.85 3cx5 h LYS 138 Ca -0.31 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.74 3cx5 h LYS 138 Cb 1.20 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.12 3cx5 h LYS 138 CO 0.51 0.24 -0.78 -3.47 -2.00 0.00 0.00 179.45 173.95 3cx5 n ASP 139 N -3.26 1.53 -4.63 7.07 4.64 -1.26 -5.04 116.55 115.60 3cx5 n ASP 139 Ca 0.01 -2.88 -0.51 0.00 -1.38 0.00 0.00 54.79 50.03 3cx5 n ASP 139 Cb 0.52 -0.66 -0.06 0.00 -1.04 0.00 0.00 41.12 39.88 3cx5 n ASP 139 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3cx5 n PRO 140 N 2.09 1.65 -3.64 -0.67 -0.02 -1.25 -4.80 135.00 128.36 3cx5 n PRO 140 Ca 0.25 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3cx5 n PRO 140 Cb 0.42 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 3cx5 n PRO 140 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3cx5 s GLN 141 N 4.54 0.79 0.54 -0.52 0.74 -1.26 -5.16 119.66 119.34 3cx5 s GLN 141 Ca 0.99 1.05 -0.14 0.00 0.05 0.00 0.00 55.36 57.31 3cx5 s GLN 141 Cb -0.82 0.33 -0.06 0.00 1.10 0.00 0.00 33.01 33.56 3cx5 s GLN 141 CO 0.54 -0.11 0.98 0.95 -0.55 0.00 0.00 175.29 177.10 3cx5 s THR 142 N 0.72 4.63 0.29 -0.34 -4.23 -1.26 -4.96 115.64 110.49 3cx5 s THR 142 Ca -0.03 1.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.46 3cx5 s THR 142 Cb -0.05 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 70.22 3cx5 s THR 142 CO -0.05 -0.86 1.90 -0.78 -0.54 0.00 0.00 174.62 174.29 3cx5 h ASP 143 N 0.45 0.89 0.13 3.99 -0.00 -1.95 -2.28 116.42 117.65 3cx5 h ASP 143 Ca -0.46 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.03 56.44 3cx5 h ASP 143 Cb 1.19 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 40.28 3cx5 h ASP 143 CO 0.62 0.74 -0.17 0.00 -0.00 0.00 0.00 179.24 180.42 3cx5 h ALA 144 N 1.40 1.59 0.00 -0.78 0.00 -1.93 -0.79 119.26 118.75 3cx5 h ALA 144 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cx5 h ALA 144 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3cx5 h ALA 144 CO -0.04 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 3cx5 n ASP 145 N -4.28 0.78 -0.04 0.00 8.00 -0.87 -3.69 116.55 116.45 3cx5 n ASP 145 Ca -0.02 0.63 0.02 0.00 0.71 0.00 0.00 54.79 56.14 3cx5 n ASP 145 Cb 0.27 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.41 3cx5 n ASP 145 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cx5 n ARG 146 N -2.30 0.81 -4.26 -1.24 1.74 -0.41 -5.00 116.66 106.00 3cx5 n ARG 146 Ca 0.04 -0.11 -0.18 0.00 -0.77 0.00 0.00 57.85 56.83 3cx5 n ARG 146 Cb 0.33 -1.44 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 3cx5 n ARG 146 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cx5 s VAL 147 N -2.94 0.95 -0.05 1.55 -7.23 -0.55 -4.82 120.40 107.31 3cx5 s VAL 147 Ca -0.07 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3cx5 s VAL 147 Cb 0.09 -0.89 -0.25 0.00 0.56 0.00 0.00 36.38 35.89 3cx5 s VAL 147 CO 0.74 -0.08 0.63 0.11 -0.31 0.00 0.00 175.10 176.19 3cx5 h LYS 148 N 4.86 0.13 -4.37 4.82 1.57 -1.84 -3.43 116.57 118.31 3cx5 h LYS 148 Ca -0.37 -0.22 -0.59 0.00 -1.87 0.00 0.00 60.65 57.60 3cx5 h LYS 148 Cb 1.19 0.08 -0.37 0.00 0.08 0.00 0.00 32.23 33.21 3cx5 h LYS 148 CO 0.43 0.85 -0.80 0.34 -0.57 0.00 0.00 179.45 179.70 3cx5 s ASP 149 N -6.58 3.10 0.66 0.86 -1.08 -1.26 -5.00 116.67 107.37 3cx5 s ASP 149 Ca -0.11 -0.77 0.31 0.00 -0.52 0.00 0.00 52.55 51.46 3cx5 s ASP 149 Cb 0.07 -1.07 1.67 0.00 -1.46 0.00 0.00 42.92 42.13 3cx5 s ASP 149 CO 0.81 -0.16 1.95 1.55 0.52 0.00 0.00 175.17 179.84 3cx5 h PRO 150 N 8.05 0.00 0.00 4.34 0.13 -1.97 0.13 132.00 142.67 3cx5 h PRO 150 Ca -0.26 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 3cx5 h PRO 150 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3cx5 h PRO 150 CO 0.44 0.00 -0.84 0.37 -0.23 0.00 0.00 178.00 177.74 3cx5 h GLN 151 N 0.00 0.10 -4.75 0.86 4.15 -1.94 -3.43 115.11 110.10 3cx5 h GLN 151 Ca 0.02 -0.11 -0.69 0.00 0.77 0.00 0.00 58.65 58.64 3cx5 h GLN 151 Cb 0.65 0.03 -0.32 0.00 0.21 0.00 0.00 27.48 28.06 3cx5 h GLN 151 CO -0.00 0.88 -0.68 -1.58 -1.93 0.00 0.00 178.83 175.52 3cx5 s TRP 152 N -3.19 3.27 -0.41 3.99 0.52 0.44 -0.88 118.94 122.69 3cx5 s TRP 152 Ca -0.02 -1.80 -0.18 0.00 0.02 0.00 0.00 56.10 54.12 3cx5 s TRP 152 Cb 0.11 -2.17 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3cx5 s TRP 152 CO 0.81 -0.79 0.51 -1.17 0.02 0.00 0.00 176.95 176.33 3cx5 s LEU 153 N 1.28 4.64 -0.23 2.99 2.96 -0.62 -4.54 118.68 125.15 3cx5 s LEU 153 Ca -0.04 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3cx5 s LEU 153 Cb -0.20 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.01 3cx5 s LEU 153 CO -0.00 -0.62 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.63 3cx5 s ILE 154 N 2.40 2.12 0.18 6.68 1.01 -1.26 -1.51 121.20 130.83 3cx5 s ILE 154 Ca 0.17 -1.36 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 3cx5 s ILE 154 Cb -0.16 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3cx5 s ILE 154 CO 0.15 0.19 0.33 0.00 0.00 0.00 0.00 174.94 175.61 3cx5 s MET 155 N 1.18 1.25 -0.03 2.79 0.23 -0.70 -4.47 119.30 119.55 3cx5 s MET 155 Ca -0.04 -1.18 -0.29 0.00 -1.03 0.00 0.00 55.69 53.15 3cx5 s MET 155 Cb -0.17 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 3cx5 s MET 155 CO -0.08 -0.48 0.96 -0.51 -2.03 0.00 0.00 175.02 172.88 3cx5 s LEU 156 N -2.98 4.33 0.00 0.18 1.43 0.35 0.35 118.68 122.34 3cx5 s LEU 156 Ca 0.19 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 3cx5 s LEU 156 Cb 0.02 -3.51 -0.20 0.00 0.03 0.00 0.00 46.19 42.53 3cx5 s LEU 156 CO 0.02 -0.29 3.09 0.61 0.23 0.00 0.00 176.35 180.01 3cx5 n GLY 157 N 2.98 2.76 3.10 -3.19 0.00 0.05 -4.38 105.19 106.50 3cx5 n GLY 157 Ca 0.06 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 3cx5 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cx5 s ILE 158 N 0.92 2.51 0.15 -0.61 -1.09 -1.26 -4.19 121.20 117.62 3cx5 s ILE 158 Ca 0.49 -1.64 -0.33 0.00 -2.23 0.00 0.00 60.65 56.94 3cx5 s ILE 158 Cb 0.24 -2.51 -0.13 0.00 -1.58 0.00 0.00 42.46 38.47 3cx5 s ILE 158 CO 0.00 -0.14 1.64 0.00 -1.23 0.00 0.00 174.94 175.20 3cx5 n THR 160 N 3.69 0.23 0.00 0.00 -2.24 -1.26 -1.73 114.28 112.97 3cx5 n THR 160 Ca 0.17 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3cx5 n THR 160 Cb 0.30 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3cx5 n THR 160 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3cx5 n HIS 161 N -1.17 0.00 -1.57 4.78 -0.00 -1.26 -4.43 115.22 111.57 3cx5 n HIS 161 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.90 3cx5 n HIS 161 Cb 0.13 -0.05 0.09 0.00 -0.00 0.00 0.00 29.99 30.15 3cx5 n HIS 161 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3cx5 n LEU 162 N -0.66 1.47 0.00 0.27 4.77 -1.25 -4.99 117.00 116.61 3cx5 n LEU 162 Ca 0.00 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 3cx5 n LEU 162 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3cx5 n LEU 162 CO 0.00 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3cx5 n GLY 163 N -0.75 0.84 3.70 -0.72 0.00 -0.71 -5.03 105.19 102.53 3cx5 n GLY 163 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3cx5 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 s VAL 165 N -2.95 5.12 0.42 0.00 1.01 -1.26 -1.02 120.40 121.72 3cx5 s VAL 165 Ca 0.64 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 3cx5 s VAL 165 Cb -0.18 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3cx5 s VAL 165 CO 0.57 -0.07 1.31 -2.84 0.00 0.00 0.00 175.10 174.07 3cx5 s PRO 166 N 2.17 3.89 -0.09 2.72 0.02 -1.26 -4.74 135.00 137.70 3cx5 s PRO 166 Ca 0.15 2.16 -0.26 0.00 0.02 0.00 0.00 61.00 63.07 3cx5 s PRO 166 Cb -0.16 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 3cx5 s PRO 166 CO 0.12 -0.56 0.82 0.42 -0.33 0.00 0.00 177.00 177.47 3cx5 s ILE 167 N -1.28 4.94 0.60 2.83 1.01 0.11 -4.80 121.20 124.62 3cx5 s ILE 167 Ca 0.58 1.67 -0.18 0.00 0.00 0.00 0.00 60.65 62.72 3cx5 s ILE 167 Cb -0.38 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3cx5 s ILE 167 CO 0.49 0.14 1.16 -0.83 0.00 0.00 0.00 174.94 175.89 3cx5 s GLY 168 N 0.99 2.53 -1.43 6.18 0.00 -1.26 -1.44 107.32 112.88 3cx5 s GLY 168 Ca 0.41 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.91 3cx5 s GLY 168 CO 0.18 1.20 0.65 1.18 0.00 0.00 0.00 173.10 176.30 3cx5 n GLU 169 N -1.78 -4.18 -4.04 2.90 1.02 -0.23 -4.91 120.64 109.41 3cx5 n GLU 169 Ca 0.12 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.66 3cx5 n GLU 169 Cb 0.51 -4.96 -0.08 0.00 -0.02 0.00 0.00 31.44 26.89 3cx5 n GLU 169 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cx5 s ALA 170 N -3.68 0.32 0.00 0.62 0.00 -0.75 -4.98 121.76 113.29 3cx5 s ALA 170 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3cx5 s ALA 170 Cb -0.11 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3cx5 s ALA 170 CO 0.86 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3cx5 n GLY 171 N -0.24 0.38 1.19 0.00 0.00 -1.26 -2.97 105.19 102.28 3cx5 n GLY 171 Ca -0.04 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.00 3cx5 n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cx5 n ASP 172 N -0.10 3.48 -1.33 1.61 8.00 -1.26 -4.30 116.55 122.64 3cx5 n ASP 172 Ca 0.00 -2.23 0.03 0.00 0.71 0.00 0.00 54.79 53.30 3cx5 n ASP 172 Cb 0.00 -0.46 0.09 0.00 -0.02 0.00 0.00 41.12 40.73 3cx5 n ASP 172 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cx5 n PHE 173 N 0.91 0.24 -1.57 1.24 3.01 -1.26 -4.99 117.46 115.03 3cx5 n PHE 173 Ca 0.19 -1.05 -0.17 0.00 1.01 0.00 0.00 57.45 57.42 3cx5 n PHE 173 Cb 0.63 -0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 39.83 3cx5 n PHE 173 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cx5 n GLY 174 N -0.19 1.51 0.00 1.37 0.00 -1.26 -3.85 105.19 102.76 3cx5 n GLY 174 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3cx5 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 175 N -0.37 1.74 3.37 -0.02 0.00 -1.20 -4.25 105.19 104.46 3cx5 n GLY 175 Ca -0.18 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3cx5 n GLY 175 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cx5 s TRP 176 N 1.41 1.97 -0.06 1.61 0.51 -0.01 -1.06 118.94 123.30 3cx5 s TRP 176 Ca 0.00 -0.44 -0.00 0.00 -2.12 0.00 0.00 56.10 53.54 3cx5 s TRP 176 Cb 0.00 -0.95 0.03 0.00 -0.81 0.00 0.00 33.47 31.73 3cx5 s TRP 176 CO 0.00 0.42 -0.01 0.12 -0.51 0.00 0.00 176.95 176.97 3cx5 s PHE 177 N -2.12 0.60 -0.34 -1.98 5.36 -0.52 -0.64 117.98 118.34 3cx5 s PHE 177 Ca 0.19 -0.13 -0.18 0.00 -0.96 0.00 0.00 56.93 55.85 3cx5 s PHE 177 Cb -0.06 -0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 3cx5 s PHE 177 CO 0.08 -0.25 0.52 0.00 -1.46 0.00 0.00 175.22 174.11 3cx5 h PRO 179 N 8.40 0.00 -0.04 0.00 0.13 -1.87 -1.80 132.00 136.82 3cx5 h PRO 179 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3cx5 h PRO 179 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cx5 h PRO 179 CO 0.77 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.54 3cx5 n HIS 181 N -4.93 0.00 -2.31 0.00 8.25 -1.25 -5.06 115.22 109.91 3cx5 n HIS 181 Ca -0.07 -0.05 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 3cx5 n HIS 181 Cb 0.15 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.24 3cx5 n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cx5 n GLY 182 N -0.06 0.32 3.79 -1.41 0.00 -0.69 -4.63 105.19 102.50 3cx5 n GLY 182 Ca 0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3cx5 n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 183 N -3.24 6.43 -0.11 1.61 0.01 -1.11 -4.16 113.70 113.12 3cx5 s SER 183 Ca 0.01 0.50 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 3cx5 s SER 183 Cb -0.00 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3cx5 s SER 183 CO 0.14 0.24 -0.05 -1.00 0.41 0.00 0.00 173.24 172.98 3cx5 s HIS 184 N -0.19 3.01 0.07 2.43 0.09 0.14 -0.40 115.29 120.43 3cx5 s HIS 184 Ca 0.15 -0.10 0.09 0.00 -0.00 0.00 0.00 55.06 55.20 3cx5 s HIS 184 Cb -0.13 -1.83 -0.03 0.00 -0.00 0.00 0.00 32.58 30.59 3cx5 s HIS 184 CO 0.04 0.18 -0.25 0.71 -0.00 0.00 0.00 174.74 175.43 3cx5 s TYR 185 N -0.29 2.14 0.48 1.40 1.51 0.19 -0.42 117.35 122.36 3cx5 s TYR 185 Ca 0.05 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3cx5 s TYR 185 Cb -0.13 -1.24 0.10 0.00 -0.11 0.00 0.00 41.96 40.58 3cx5 s TYR 185 CO 0.02 0.18 0.65 -0.40 -1.11 0.00 0.00 175.55 174.89 3cx5 n ASP 186 N 1.50 0.60 0.00 2.29 5.68 -0.27 -0.83 116.55 125.52 3cx5 n ASP 186 Ca -0.18 -1.57 0.03 0.00 -0.50 0.00 0.00 54.79 52.58 3cx5 n ASP 186 Cb 0.53 -0.45 0.19 0.00 -1.14 0.00 0.00 41.12 40.25 3cx5 n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cx5 n ILE 187 N -2.49 0.00 0.23 2.12 0.13 -1.25 0.27 119.36 118.36 3cx5 n ILE 187 Ca 0.10 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.77 3cx5 n ILE 187 Cb 0.35 -0.83 0.01 0.00 -0.84 0.00 0.00 39.64 38.33 3cx5 n ILE 187 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 3cx5 n SER 188 N -0.94 1.15 0.00 9.51 2.88 -1.26 -4.89 113.62 120.07 3cx5 n SER 188 Ca 0.05 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 3cx5 n SER 188 Cb 0.02 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 3cx5 n SER 188 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cx5 n GLY 189 N 0.50 0.55 3.80 0.46 0.00 0.14 -4.92 105.19 105.72 3cx5 n GLY 189 Ca 0.03 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3cx5 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cx5 s ARG 190 N -0.59 4.35 0.04 1.61 0.52 -1.26 -1.17 118.95 122.45 3cx5 s ARG 190 Ca 0.00 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.93 3cx5 s ARG 190 Cb 0.00 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.59 3cx5 s ARG 190 CO 0.00 0.34 1.25 -1.50 0.02 0.00 0.00 175.30 175.40 3cx5 s ILE 191 N -1.59 3.94 -0.03 1.52 1.10 -1.26 -1.11 121.20 123.77 3cx5 s ILE 191 Ca 0.46 1.37 0.03 0.00 -0.51 0.00 0.00 60.65 62.00 3cx5 s ILE 191 Cb -0.17 -3.88 -0.04 0.00 0.15 0.00 0.00 42.46 38.52 3cx5 s ILE 191 CO 0.22 0.08 0.01 0.54 -2.11 0.00 0.00 174.94 173.67 3cx5 n ARG 192 N 4.29 3.41 -3.60 3.50 5.12 0.44 -4.37 116.66 125.46 3cx5 n ARG 192 Ca 0.10 -0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.86 3cx5 n ARG 192 Cb 0.45 -1.09 -0.07 0.00 -1.16 0.00 0.00 32.46 30.59 3cx5 n ARG 192 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3cx5 s LYS 193 N -2.09 0.90 0.00 5.56 2.20 -1.17 -4.94 119.74 120.20 3cx5 s LYS 193 Ca -0.02 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3cx5 s LYS 193 Cb 0.01 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 3cx5 s LYS 193 CO 0.14 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 3cx5 n GLY 194 N 1.68 1.23 0.19 5.54 0.00 -1.26 0.24 105.19 112.81 3cx5 n GLY 194 Ca -0.17 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 43.79 3cx5 n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 h PRO 195 N 0.00 0.00 -6.71 1.61 0.13 -1.82 -3.45 132.00 121.76 3cx5 h PRO 195 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 3cx5 h PRO 195 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3cx5 h PRO 195 CO 0.00 0.00 0.94 0.00 -0.23 0.00 0.00 178.00 178.71 3cx5 s ALA 196 N -3.41 3.84 -0.15 -0.56 0.00 -1.26 -4.83 121.76 115.39 3cx5 s ALA 196 Ca 0.04 1.55 0.17 0.00 0.00 0.00 0.00 51.96 53.72 3cx5 s ALA 196 Cb 0.09 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 3cx5 s ALA 196 CO 0.49 -0.92 1.03 -1.00 0.00 0.00 0.00 175.76 175.36 3cx5 h PRO 197 N 6.00 0.00 -5.43 0.00 0.13 -1.88 -3.47 132.00 127.35 3cx5 h PRO 197 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.22 3cx5 h PRO 197 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3cx5 h PRO 197 CO 0.88 0.31 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.78 3cx5 s LEU 198 N -5.93 2.44 0.68 1.56 1.43 -1.26 -4.59 118.68 113.00 3cx5 s LEU 198 Ca -0.01 -1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 3cx5 s LEU 198 Cb 0.08 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.74 3cx5 s LEU 198 CO 0.79 -0.35 1.07 0.20 0.23 0.00 0.00 176.35 178.29 3cx5 s ASN 199 N -3.40 5.31 0.20 2.29 0.01 -1.26 -4.45 114.94 113.65 3cx5 s ASN 199 Ca 0.28 1.74 -0.32 0.00 -0.71 0.00 0.00 52.86 53.85 3cx5 s ASN 199 Cb 0.04 -2.52 -0.12 0.00 0.41 0.00 0.00 41.25 39.06 3cx5 s ASN 199 CO 0.10 -1.49 1.70 0.18 -1.51 0.00 0.00 177.10 176.08 3cx5 n LEU 200 N -2.83 3.88 -4.78 0.60 4.77 -0.32 -4.89 117.00 113.44 3cx5 n LEU 200 Ca 0.08 1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 3cx5 n LEU 200 Cb 0.53 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3cx5 n LEU 200 CO 0.52 0.11 1.12 -0.70 -1.33 0.00 0.00 177.39 177.11 3cx5 s GLU 201 N 1.08 4.05 -0.28 3.23 2.12 -1.26 -4.79 118.70 122.85 3cx5 s GLU 201 Ca 0.75 2.53 -0.11 0.00 0.36 0.00 0.00 54.97 58.50 3cx5 s GLU 201 Cb -0.53 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3cx5 s GLU 201 CO 0.34 -0.56 0.19 0.42 -0.54 0.00 0.00 175.26 175.10 3cx5 s ILE 202 N -1.14 5.28 0.53 -3.70 1.09 -1.26 -0.49 121.20 121.51 3cx5 s ILE 202 Ca 0.54 0.14 -0.13 0.00 -1.10 0.00 0.00 60.65 60.10 3cx5 s ILE 202 Cb -0.46 -3.52 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 3cx5 s ILE 202 CO 0.62 0.24 0.95 -2.16 -0.10 0.00 0.00 174.94 174.49 3cx5 s PRO 203 N 1.75 3.78 0.14 2.79 0.04 -1.26 -4.97 135.00 137.27 3cx5 s PRO 203 Ca 0.07 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 3cx5 s PRO 203 Cb -0.16 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3cx5 s PRO 203 CO 0.11 -0.33 1.47 0.00 0.04 0.00 0.00 177.00 178.29 3cx5 s ALA 204 N -2.77 3.67 -0.03 8.56 0.00 -1.26 -4.88 121.76 125.05 3cx5 s ALA 204 Ca 0.55 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 53.56 3cx5 s ALA 204 Cb -0.10 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.48 3cx5 s ALA 204 CO 0.40 -0.69 0.42 1.52 0.00 0.00 0.00 175.76 177.41 3cx5 s TYR 205 N 1.06 -0.33 -0.03 0.00 1.13 -1.26 0.49 117.35 118.41 3cx5 s TYR 205 Ca 0.67 0.53 0.00 0.00 -1.41 0.00 0.00 57.07 56.86 3cx5 s TYR 205 Cb -0.40 0.19 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 3cx5 s TYR 205 CO 0.31 -0.46 -0.00 -1.21 -2.51 0.00 0.00 175.55 171.68 3cx5 s GLU 206 N -1.28 0.33 0.69 -3.49 2.02 -1.18 -4.94 118.70 110.85 3cx5 s GLU 206 Ca -0.13 0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.80 3cx5 s GLU 206 Cb -0.04 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.71 3cx5 s GLU 206 CO 0.06 -0.12 1.07 -0.06 0.02 0.00 0.00 175.26 176.23 3cx5 s PHE 207 N 0.97 2.95 -0.16 1.61 0.40 -1.26 -1.11 117.98 121.37 3cx5 s PHE 207 Ca -0.10 1.47 0.08 0.00 -0.60 0.00 0.00 56.93 57.79 3cx5 s PHE 207 Cb -0.13 -2.96 0.23 0.00 0.51 0.00 0.00 43.02 40.67 3cx5 s PHE 207 CO -0.02 -1.36 1.26 -3.47 0.70 0.00 0.00 175.22 172.33 3cx5 n ASP 208 N -2.96 -0.97 -1.45 1.36 4.64 -0.20 -4.90 116.55 112.07 3cx5 n ASP 208 Ca 0.08 -2.10 0.00 0.00 -1.38 0.00 0.00 54.79 51.40 3cx5 n ASP 208 Cb 0.53 0.40 0.00 0.00 -1.04 0.00 0.00 41.12 41.01 3cx5 n ASP 208 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3cx5 n GLY 209 N -0.69 -4.61 4.45 0.27 0.00 -1.26 -4.49 105.19 98.86 3cx5 n GLY 209 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3cx5 n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cx5 n ASP 210 N 1.07 0.00 -3.81 1.61 9.92 -1.26 -4.87 116.55 119.21 3cx5 n ASP 210 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 3cx5 n ASP 210 Cb 0.00 -0.11 -0.07 0.00 -0.64 0.00 0.00 41.12 40.30 3cx5 n ASP 210 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3cx5 s LYS 211 N 0.00 1.54 -0.01 -1.24 0.00 -1.26 0.04 119.74 118.80 3cx5 s LYS 211 Ca 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 55.97 54.34 3cx5 s LYS 211 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.21 3cx5 s LYS 211 CO 0.00 -0.59 0.07 0.54 0.00 0.00 0.00 175.35 175.36 3cx5 s VAL 212 N -3.76 0.03 -0.70 1.79 0.11 -1.26 -1.04 120.40 115.58 3cx5 s VAL 212 Ca 0.33 -0.29 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 3cx5 s VAL 212 Cb 0.02 -0.19 0.18 0.00 -1.53 0.00 0.00 36.38 34.86 3cx5 s VAL 212 CO 0.15 -0.16 0.64 0.27 -3.33 0.00 0.00 175.10 172.67 3cx5 s ILE 213 N -0.48 5.33 -0.02 7.04 -4.36 -0.26 -4.22 121.20 124.23 3cx5 s ILE 213 Ca -0.05 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 3cx5 s ILE 213 Cb -0.03 -4.35 -0.05 0.00 1.25 0.00 0.00 42.46 39.28 3cx5 s ILE 213 CO 0.00 -0.95 1.33 -0.69 0.24 0.00 0.00 174.94 174.87 3cx5 s VAL 214 N 0.75 3.90 0.00 8.37 1.01 -1.24 -3.10 120.40 130.08 3cx5 s VAL 214 Ca 0.12 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3cx5 s VAL 214 Cb -0.19 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3cx5 s VAL 214 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67