#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s SER 32 N 0.00 7.17 0.27 3.14 0.15 -1.26 -4.91 113.70 118.26 3cxh s SER 32 Ca 0.00 2.28 0.23 0.00 0.70 0.00 0.00 55.95 59.16 3cxh s SER 32 Cb 0.00 -2.62 1.02 0.00 -1.71 0.00 0.00 66.02 62.70 3cxh s SER 32 CO 0.00 -0.25 1.70 0.35 1.20 0.00 0.00 173.24 176.24 3cxh n THR 33 N 1.66 0.87 0.35 6.45 -2.24 -1.26 -1.92 114.28 118.19 3cxh n THR 33 Ca 0.01 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 3cxh n THR 33 Cb 0.45 -1.27 0.32 0.00 -2.10 0.00 0.00 70.33 67.73 3cxh n THR 33 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3cxh h TYR 34 N 0.00 0.00 -2.78 4.78 0.05 -2.08 -3.40 116.97 113.54 3cxh h TYR 34 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 3cxh h TYR 34 Cb 0.30 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.85 3cxh h TYR 34 CO 0.00 0.00 0.51 1.03 -1.05 0.00 0.00 178.16 178.65 3cxh s ARG 35 N -3.25 3.39 0.23 4.88 0.52 -0.81 -5.02 118.95 118.90 3cxh s ARG 35 Ca 0.07 -1.62 -0.31 0.00 -0.52 0.00 0.00 55.73 53.35 3cxh s ARG 35 Cb 0.08 -4.58 -0.11 0.00 0.52 0.00 0.00 34.95 30.86 3cxh s ARG 35 CO 0.62 -1.65 1.57 0.99 0.02 0.00 0.00 175.30 176.85 3cxh s THR 36 N 2.51 2.38 1.11 0.02 2.01 -1.26 -4.91 115.64 117.49 3cxh s THR 36 Ca 0.24 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 3cxh s THR 36 Cb -0.12 -3.19 0.25 0.00 0.01 0.00 0.00 72.50 69.45 3cxh s THR 36 CO -0.03 0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 172.83 3cxh s PRO 37 N 0.34 -0.45 -0.18 4.92 0.04 -1.26 -4.93 135.00 133.48 3cxh s PRO 37 Ca 0.66 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3cxh s PRO 37 Cb -0.45 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3cxh s PRO 37 CO 0.39 -3.40 1.28 1.21 0.04 0.00 0.00 177.00 176.52 3cxh s ASN 38 N -2.78 6.90 -0.10 6.66 3.04 -1.26 -4.88 114.94 122.51 3cxh s ASN 38 Ca 0.67 1.65 0.14 0.00 0.04 0.00 0.00 52.86 55.36 3cxh s ASN 38 Cb -0.23 -2.54 0.29 0.00 -1.54 0.00 0.00 41.25 37.23 3cxh s ASN 38 CO 0.62 -0.81 1.19 0.49 -3.04 0.00 0.00 177.10 175.55 3cxh n PHE 39 N 6.77 0.27 -0.21 0.43 3.01 -1.26 -4.83 117.46 121.64 3cxh n PHE 39 Ca 0.14 -0.82 0.01 0.00 1.01 0.00 0.00 57.45 57.79 3cxh n PHE 39 Cb 0.45 -0.16 0.12 0.00 -0.01 0.00 0.00 39.48 39.88 3cxh n PHE 39 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3cxh h ASP 40 N 0.62 0.20 0.55 4.37 3.32 -1.90 -0.44 116.42 123.15 3cxh h ASP 40 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3cxh h ASP 40 Cb 0.97 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3cxh h ASP 40 CO 0.05 0.11 0.00 -2.24 -1.72 0.00 0.00 179.24 175.45 3cxh h ASP 41 N 0.39 0.00 0.04 6.45 3.04 -2.03 -3.06 116.42 121.25 3cxh h ASP 41 Ca 0.32 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.74 3cxh h ASP 41 Cb 0.42 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.65 3cxh h ASP 41 CO -0.33 0.00 -2.36 0.52 -2.04 0.00 0.00 179.24 175.03 3cxh n VAL 42 N -2.59 1.48 -2.78 4.15 0.31 -0.60 -4.98 118.33 113.32 3cxh n VAL 42 Ca 0.00 -0.71 -0.33 0.00 -0.01 0.00 0.00 64.34 63.29 3cxh n VAL 42 Cb 0.19 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 3cxh n VAL 42 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cxh s LEU 43 N -6.12 3.92 0.05 7.52 1.43 -0.27 -5.08 118.68 120.13 3cxh s LEU 43 Ca -0.22 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 3cxh s LEU 43 Cb 0.08 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 3cxh s LEU 43 CO 0.72 -0.40 0.13 -1.59 0.23 0.00 0.00 176.35 175.44 3cxh s LYS 44 N -3.23 3.16 0.31 1.70 -2.85 -1.26 -4.90 119.74 112.66 3cxh s LYS 44 Ca 0.62 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.77 3cxh s LYS 44 Cb -0.09 -2.89 -0.10 0.00 -2.06 0.00 0.00 37.83 32.68 3cxh s LYS 44 CO 0.14 0.61 1.33 -2.00 0.10 0.00 0.00 175.35 175.53 3cxh s GLU 45 N -2.28 4.34 -1.00 1.78 2.12 -1.26 -4.83 118.70 117.57 3cxh s GLU 45 Ca 0.30 2.22 -0.24 0.00 0.36 0.00 0.00 54.97 57.61 3cxh s GLU 45 Cb -0.12 -3.09 -0.16 0.00 0.26 0.00 0.00 34.13 31.02 3cxh s GLU 45 CO 0.22 -0.23 1.95 -1.71 -0.54 0.00 0.00 175.26 174.95 3cxh n ASN 46 N 1.20 2.39 -0.11 -1.70 2.85 -1.26 -4.25 115.26 114.38 3cxh n ASN 46 Ca 0.02 -2.63 -0.18 0.00 -0.11 0.00 0.00 54.58 51.68 3cxh n ASN 46 Cb 0.42 -1.55 -0.09 0.00 1.24 0.00 0.00 39.78 39.80 3cxh n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3cxh n ASN 47 N 14.36 2.07 -3.36 1.20 3.02 -1.26 -4.89 115.26 126.40 3cxh n ASN 47 Ca 0.45 0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 3cxh n ASN 47 Cb 0.45 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3cxh n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cxh s ASP 48 N -6.40 1.00 0.52 6.41 3.68 -1.26 -5.02 116.67 115.61 3cxh s ASP 48 Ca -0.29 -0.47 0.22 0.00 2.13 0.00 0.00 52.55 54.13 3cxh s ASP 48 Cb 0.09 0.80 1.40 0.00 -1.45 0.00 0.00 42.92 43.76 3cxh s ASP 48 CO 0.45 -0.36 2.13 0.00 0.13 0.00 0.00 175.17 177.51 3cxh h ALA 49 N 8.22 1.64 -0.26 3.66 0.00 -1.90 -2.52 119.26 128.10 3cxh h ALA 49 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3cxh h ALA 49 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3cxh h ALA 49 CO 0.30 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 3cxh n ASP 50 N -4.10 1.76 0.12 0.00 10.43 -1.26 -4.31 116.55 119.19 3cxh n ASP 50 Ca -0.03 -1.85 -0.13 0.00 2.57 0.00 0.00 54.79 55.35 3cxh n ASP 50 Cb 0.16 -0.17 -0.07 0.00 1.84 0.00 0.00 41.12 42.87 3cxh n ASP 50 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3cxh h LYS 51 N 2.11 -0.22 -0.19 -1.24 1.79 -1.88 -0.80 116.57 116.14 3cxh h LYS 51 Ca 0.00 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3cxh h LYS 51 Cb 0.47 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3cxh h LYS 51 CO 0.00 -0.15 0.06 0.78 -1.08 0.00 0.00 179.45 179.06 3cxh h GLY 52 N -0.23 0.33 0.41 3.86 0.00 -1.82 -2.51 103.07 103.11 3cxh h GLY 52 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3cxh h GLY 52 CO 0.03 0.18 -0.24 -0.09 0.00 0.00 0.00 176.54 176.42 3cxh h ARG 53 N 0.14 -0.34 -0.45 4.80 2.43 -1.77 0.14 114.38 119.33 3cxh h ARG 53 Ca 0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3cxh h ARG 53 Cb 0.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3cxh h ARG 53 CO -0.00 -0.23 0.23 0.77 -1.51 0.00 0.00 179.97 179.23 3cxh h SER 54 N -0.35 0.34 -0.41 -3.80 0.02 -1.15 0.27 113.55 108.47 3cxh h SER 54 Ca 0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3cxh h SER 54 Cb 0.45 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3cxh h SER 54 CO -0.24 0.24 0.26 1.88 -1.14 0.00 0.00 176.83 177.84 3cxh h TYR 55 N 0.46 0.52 -0.76 3.45 -1.99 -1.11 -0.07 116.97 117.47 3cxh h TYR 55 Ca 0.19 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3cxh h TYR 55 Cb 0.09 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 3cxh h TYR 55 CO -0.10 0.34 0.26 0.00 -0.00 0.00 0.00 178.16 178.67 3cxh h ALA 56 N 1.14 0.99 0.00 3.88 0.00 -0.20 -1.37 119.26 123.70 3cxh h ALA 56 Ca 0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3cxh h ALA 56 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3cxh h ALA 56 CO -0.03 0.66 -0.68 1.88 0.00 0.00 0.00 179.25 181.08 3cxh h TYR 57 N 1.12 0.00 -0.12 0.00 -1.99 -0.17 -1.61 116.97 114.19 3cxh h TYR 57 Ca 0.25 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.84 3cxh h TYR 57 Cb 0.27 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.01 3cxh h TYR 57 CO 0.02 0.68 -0.48 0.35 -0.00 0.00 0.00 178.16 178.73 3cxh h PHE 58 N 0.00 0.71 -0.44 4.88 3.57 -0.86 -0.88 116.94 123.92 3cxh h PHE 58 Ca -0.01 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.20 3cxh h PHE 58 Cb 1.22 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3cxh h PHE 58 CO 0.00 1.07 0.29 0.52 -2.23 0.00 0.00 178.31 177.96 3cxh h MET 59 N 0.15 0.57 -0.27 1.11 2.86 -1.18 0.14 114.93 118.31 3cxh h MET 59 Ca -0.03 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3cxh h MET 59 Cb 1.11 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3cxh h MET 59 CO 0.10 0.38 -0.05 0.28 1.06 0.00 0.00 176.91 178.68 3cxh h VAL 60 N 0.59 1.28 -0.67 -2.22 2.07 -1.32 -1.64 116.25 114.33 3cxh h VAL 60 Ca 0.17 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3cxh h VAL 60 Cb -0.05 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3cxh h VAL 60 CO -0.04 0.33 0.42 1.23 0.02 0.00 0.00 177.57 179.53 3cxh h GLY 61 N 0.28 0.96 1.23 2.17 0.00 -0.86 -0.32 103.07 106.53 3cxh h GLY 61 Ca 0.07 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 3cxh h GLY 61 CO 0.02 0.28 -0.43 0.00 0.00 0.00 0.00 176.54 176.42 3cxh h ALA 62 N 1.28 0.62 -0.50 3.60 0.00 -0.65 -0.94 119.26 122.66 3cxh h ALA 62 Ca 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3cxh h ALA 62 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cxh h ALA 62 CO -0.10 0.67 0.14 1.98 0.00 0.00 0.00 179.25 181.95 3cxh h MET 63 N 0.67 0.74 -0.03 0.00 4.05 -0.91 -0.44 114.93 119.02 3cxh h MET 63 Ca 0.05 -0.13 -0.18 0.00 -0.28 0.00 0.00 59.70 59.15 3cxh h MET 63 Cb 1.00 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3cxh h MET 63 CO 0.10 0.66 -0.78 0.78 0.23 0.00 0.00 176.91 177.89 3cxh h GLY 64 N 0.91 0.29 0.63 1.39 0.00 -0.86 -1.16 103.07 104.26 3cxh h GLY 64 Ca 0.17 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3cxh h GLY 64 CO -0.01 0.41 -0.02 -2.00 0.00 0.00 0.00 176.54 174.92 3cxh h LEU 65 N 0.17 -0.05 -0.95 3.11 7.12 -0.75 -1.71 115.31 122.25 3cxh h LEU 65 Ca -0.03 -0.35 -0.11 0.00 0.13 0.00 0.00 57.88 57.52 3cxh h LEU 65 Cb 1.37 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.50 3cxh h LEU 65 CO 0.12 0.32 -0.43 -0.07 -0.13 0.00 0.00 178.44 178.26 3cxh h LEU 66 N -0.44 0.22 -0.61 2.25 3.38 -1.13 -1.62 115.31 117.36 3cxh h LEU 66 Ca -0.01 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3cxh h LEU 66 Cb 0.40 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3cxh h LEU 66 CO 0.01 0.62 -0.20 0.28 0.09 0.00 0.00 178.44 179.24 3cxh h SER 67 N 0.17 0.90 -0.33 -0.43 0.02 -1.19 -0.36 113.55 112.33 3cxh h SER 67 Ca 0.01 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.52 3cxh h SER 67 Cb 0.83 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3cxh h SER 67 CO 0.06 1.07 -0.22 0.28 -1.14 0.00 0.00 176.83 176.88 3cxh h SER 68 N 0.77 0.84 -0.35 3.07 0.02 -1.06 0.20 113.55 117.05 3cxh h SER 68 Ca 0.11 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 3cxh h SER 68 Cb 0.75 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3cxh h SER 68 CO 0.06 1.03 -0.19 0.00 -1.14 0.00 0.00 176.83 176.59 3cxh h ALA 69 N 1.03 0.49 -0.62 3.77 0.00 -1.15 -1.87 119.26 120.91 3cxh h ALA 69 Ca 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3cxh h ALA 69 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3cxh h ALA 69 CO 0.06 0.43 0.22 0.78 0.00 0.00 0.00 179.25 180.74 3cxh h GLY 70 N 0.52 1.01 1.06 0.00 0.00 -0.77 -0.99 103.07 103.90 3cxh h GLY 70 Ca 0.07 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 3cxh h GLY 70 CO 0.06 0.54 0.01 0.00 0.00 0.00 0.00 176.54 177.14 3cxh h ALA 71 N 1.08 0.78 -0.56 3.60 0.00 -0.54 -0.96 119.26 122.66 3cxh h ALA 71 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3cxh h ALA 71 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3cxh h ALA 71 CO -0.01 0.62 0.04 -0.22 0.00 0.00 0.00 179.25 179.67 3cxh h LYS 72 N 0.92 0.97 -0.41 0.00 3.64 -1.15 -0.60 116.57 119.93 3cxh h LYS 72 Ca 0.17 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 3cxh h LYS 72 Cb 0.54 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3cxh h LYS 72 CO 0.03 0.95 -0.13 0.77 -2.27 0.00 0.00 179.45 178.79 3cxh h SER 73 N 0.85 0.74 -0.06 4.20 0.02 -0.96 -0.95 113.55 117.40 3cxh h SER 73 Ca 0.16 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3cxh h SER 73 Cb 0.49 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3cxh h SER 73 CO 0.02 0.89 -0.05 0.74 -1.14 0.00 0.00 176.83 177.29 3cxh h THR 74 N 0.68 1.37 -0.66 -2.27 2.02 -0.92 -0.87 112.91 112.25 3cxh h THR 74 Ca 0.11 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.15 3cxh h THR 74 Cb 0.61 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 3cxh h THR 74 CO 0.04 0.33 0.38 0.58 0.37 0.00 0.00 175.52 177.21 3cxh h VAL 75 N -0.30 0.99 -0.22 3.16 2.07 -1.04 -1.84 116.25 119.08 3cxh h VAL 75 Ca 0.01 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3cxh h VAL 75 Cb 0.55 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3cxh h VAL 75 CO 0.01 0.13 -0.17 -0.33 0.02 0.00 0.00 177.57 177.23 3cxh h GLU 76 N 0.70 0.38 -0.43 1.57 5.08 -1.09 -1.31 114.58 119.48 3cxh h GLU 76 Ca 0.29 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3cxh h GLU 76 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3cxh h GLU 76 CO -0.17 0.55 0.16 1.15 -1.00 0.00 0.00 179.01 179.70 3cxh h THR 77 N 0.35 1.21 -0.09 1.13 2.02 -0.34 0.66 112.91 117.85 3cxh h THR 77 Ca 0.06 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 3cxh h THR 77 Cb 0.51 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3cxh h THR 77 CO 0.03 0.24 -0.09 -0.26 0.37 0.00 0.00 175.52 175.82 3cxh h PHE 78 N 0.55 0.25 -0.44 3.16 0.04 -1.22 -2.76 116.94 116.52 3cxh h PHE 78 Ca 0.14 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3cxh h PHE 78 Cb 0.22 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3cxh h PHE 78 CO 0.01 0.64 0.27 0.82 -0.60 0.00 0.00 178.31 179.44 3cxh h ILE 79 N -0.21 1.06 0.00 -0.55 2.04 -1.20 -2.00 117.51 116.66 3cxh h ILE 79 Ca 0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3cxh h ILE 79 Cb 0.60 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3cxh h ILE 79 CO 0.02 0.10 -0.06 0.77 0.00 0.00 0.00 178.15 178.98 3cxh h SER 80 N 0.54 0.00 0.79 1.72 4.64 -0.89 -1.50 113.55 118.85 3cxh h SER 80 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3cxh h SER 80 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3cxh h SER 80 CO -0.07 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.41 3cxh n SER 81 N -3.39 0.52 -0.12 4.97 3.41 -0.75 -1.80 113.62 116.45 3cxh n SER 81 Ca -0.02 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 3cxh n SER 81 Cb 0.21 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.70 3cxh n SER 81 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3cxh n MET 82 N -2.06 0.40 -1.95 4.33 2.00 -0.57 -4.92 117.12 114.35 3cxh n MET 82 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 57.70 57.17 3cxh n MET 82 Cb 0.25 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 31.98 3cxh n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cxh s THR 83 N -2.77 4.54 -0.37 2.03 -4.23 -0.75 -4.90 115.64 109.19 3cxh s THR 83 Ca 0.17 0.92 -0.41 0.00 -1.18 0.00 0.00 61.69 61.19 3cxh s THR 83 Cb 0.18 -3.75 -0.18 0.00 1.34 0.00 0.00 72.50 70.09 3cxh s THR 83 CO 0.63 -0.98 1.35 0.00 -0.54 0.00 0.00 174.62 175.07 3cxh n ALA 84 N -2.51 -1.56 -1.17 3.99 0.00 -1.26 -4.90 120.51 113.09 3cxh n ALA 84 Ca 0.06 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 3cxh n ALA 84 Cb 0.54 -1.69 0.14 0.00 0.00 0.00 0.00 19.45 18.44 3cxh n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cxh s THR 85 N 2.22 2.66 0.45 0.00 -4.23 -1.26 -4.93 115.64 110.55 3cxh s THR 85 Ca 0.91 0.21 0.15 0.00 -1.18 0.00 0.00 61.69 61.79 3cxh s THR 85 Cb -1.30 -2.67 0.33 0.00 1.34 0.00 0.00 72.50 70.20 3cxh s THR 85 CO 0.69 -0.28 1.98 0.00 -0.54 0.00 0.00 174.62 176.48 3cxh h ALA 86 N -1.57 2.07 -0.00 3.99 0.00 -2.02 -2.75 119.26 118.98 3cxh h ALA 86 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3cxh h ALA 86 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cxh h ALA 86 CO 0.54 -0.21 -0.04 -0.40 0.00 0.00 0.00 179.25 179.13 3cxh n ASP 87 N -4.46 0.47 -0.14 0.00 5.68 -1.26 -3.87 116.55 112.97 3cxh n ASP 87 Ca 0.09 -0.85 0.01 0.00 -0.50 0.00 0.00 54.79 53.55 3cxh n ASP 87 Cb 0.39 -0.05 0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3cxh n ASP 87 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3cxh n VAL 88 N -0.78 0.95 -0.10 2.12 0.24 -1.04 -4.62 118.33 115.09 3cxh n VAL 88 Ca 0.18 -0.98 0.05 0.00 -2.04 0.00 0.00 64.34 61.55 3cxh n VAL 88 Cb 0.23 0.53 0.25 0.00 -1.47 0.00 0.00 33.84 33.38 3cxh n VAL 88 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3cxh n LEU 89 N -0.26 3.79 -4.62 1.34 4.77 -1.25 -4.92 117.00 115.86 3cxh n LEU 89 Ca 0.02 -1.92 -0.43 0.00 -0.03 0.00 0.00 56.01 53.65 3cxh n LEU 89 Cb 0.28 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3cxh n LEU 89 CO 0.02 0.49 1.39 0.00 -1.33 0.00 0.00 177.39 177.96 3cxh s ALA 90 N -2.02 3.21 -0.73 -1.18 0.00 -1.26 -4.92 121.76 114.86 3cxh s ALA 90 Ca 0.33 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 3cxh s ALA 90 Cb 0.25 -3.88 0.04 0.00 0.00 0.00 0.00 23.12 19.53 3cxh s ALA 90 CO 0.11 -2.05 2.74 -0.12 0.00 0.00 0.00 175.76 176.44 3cxh n MET 91 N 7.78 3.11 -1.80 0.00 1.56 -1.26 -4.96 117.12 121.55 3cxh n MET 91 Ca 0.19 -2.56 -0.42 0.00 -0.27 0.00 0.00 57.70 54.64 3cxh n MET 91 Cb 0.45 -2.31 -0.02 0.00 2.15 0.00 0.00 33.22 33.49 3cxh n MET 91 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3cxh s ALA 92 N -1.12 3.79 0.85 -5.12 0.00 -1.26 -5.02 121.76 113.88 3cxh s ALA 92 Ca 0.59 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 54.01 3cxh s ALA 92 Cb 0.31 -3.65 0.14 0.00 0.00 0.00 0.00 23.12 19.92 3cxh s ALA 92 CO -0.16 -0.93 0.87 1.17 0.00 0.00 0.00 175.76 176.71 3cxh n LYS 93 N 2.81 -0.51 -3.61 0.00 3.00 -1.26 -4.53 118.16 114.06 3cxh n LYS 93 Ca 0.10 -1.70 -0.11 0.00 -0.00 0.00 0.00 58.31 56.60 3cxh n LYS 93 Cb 0.37 -0.78 -0.06 0.00 0.00 0.00 0.00 35.03 34.56 3cxh n LYS 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3cxh s VAL 94 N -2.73 0.00 0.20 3.15 0.11 -0.40 -4.99 120.40 115.74 3cxh s VAL 94 Ca 0.52 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.63 3cxh s VAL 94 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 3cxh s VAL 94 CO 0.36 0.00 0.16 -1.61 -3.33 0.00 0.00 175.10 170.68 3cxh s GLU 95 N -0.26 2.90 -0.07 1.54 2.02 -1.26 -0.35 118.70 123.21 3cxh s GLU 95 Ca -0.00 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 53.99 3cxh s GLU 95 Cb -0.03 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.64 3cxh s GLU 95 CO -0.01 0.45 0.17 0.08 0.02 0.00 0.00 175.26 175.96 3cxh s VAL 96 N -1.92 -0.06 -0.84 2.63 1.01 0.26 -4.96 120.40 116.51 3cxh s VAL 96 Ca 0.32 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.25 3cxh s VAL 96 Cb -0.09 -0.27 0.07 0.00 0.00 0.00 0.00 36.38 36.08 3cxh s VAL 96 CO 0.24 0.08 1.22 0.21 0.00 0.00 0.00 175.10 176.85 3cxh s ASN 97 N 1.27 6.35 0.58 3.32 3.04 -1.26 -0.91 114.94 127.33 3cxh s ASN 97 Ca -0.08 -1.19 0.36 0.00 0.04 0.00 0.00 52.86 51.99 3cxh s ASN 97 Cb -0.11 -2.50 1.67 0.00 -1.54 0.00 0.00 41.25 38.77 3cxh s ASN 97 CO -0.06 -1.49 2.10 -0.07 -3.04 0.00 0.00 177.10 174.53 3cxh h LEU 98 N 12.04 0.00 -1.62 3.21 3.38 -1.56 -2.65 115.31 128.11 3cxh h LEU 98 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3cxh h LEU 98 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3cxh h LEU 98 CO 1.27 0.02 -0.19 0.00 0.09 0.00 0.00 178.44 179.62 3cxh h ALA 99 N 1.98 1.66 -0.02 1.53 0.00 -1.71 -3.03 119.26 119.68 3cxh h ALA 99 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3cxh h ALA 99 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cxh h ALA 99 CO 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.36 3cxh h ALA 100 N 1.81 0.04 -1.23 0.00 0.00 -1.78 -3.44 119.26 114.65 3cxh h ALA 100 Ca -0.00 -0.39 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 3cxh h ALA 100 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cxh h ALA 100 CO 0.03 -0.02 1.41 -0.89 0.00 0.00 0.00 179.25 179.78 3cxh n ILE 101 N -4.62 0.22 0.00 0.00 5.41 -1.15 -4.96 119.36 114.26 3cxh n ILE 101 Ca -0.09 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.39 3cxh n ILE 101 Cb 0.41 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 3cxh n ILE 101 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3cxh n PRO 102 N 8.17 1.06 0.00 0.38 -0.02 -1.26 -4.95 135.00 138.38 3cxh n PRO 102 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3cxh n PRO 102 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 3cxh n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3cxh n LEU 103 N 0.00 0.00 -3.45 2.45 7.94 -1.26 -4.48 117.00 118.19 3cxh n LEU 103 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 3cxh n LEU 103 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3cxh n LEU 103 CO 0.00 0.00 2.27 0.61 -1.11 0.00 0.00 177.39 179.16 3cxh n GLY 104 N 1.90 2.93 3.16 -3.96 0.00 -1.21 -4.08 105.19 103.92 3cxh n GLY 104 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 3cxh n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxh s LYS 105 N 4.24 0.79 0.13 1.61 -0.14 -1.25 -4.99 119.74 120.11 3cxh s LYS 105 Ca 0.50 -0.92 -0.00 0.00 -1.36 0.00 0.00 55.97 54.18 3cxh s LYS 105 Cb 0.13 -0.77 -0.04 0.00 -1.68 0.00 0.00 37.83 35.47 3cxh s LYS 105 CO 0.04 0.17 0.30 -0.80 -0.76 0.00 0.00 175.35 174.30 3cxh s ASN 106 N -1.70 6.38 -0.03 2.83 0.02 -1.26 -2.85 114.94 118.33 3cxh s ASN 106 Ca -0.03 0.33 -0.01 0.00 -1.02 0.00 0.00 52.86 52.14 3cxh s ASN 106 Cb -0.10 -1.98 0.03 0.00 0.02 0.00 0.00 41.25 39.22 3cxh s ASN 106 CO 0.02 0.08 0.04 0.54 0.02 0.00 0.00 177.10 177.80 3cxh s VAL 107 N -1.67 -0.07 -0.19 1.60 0.11 -0.50 -5.01 120.40 114.67 3cxh s VAL 107 Ca 0.37 0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.64 3cxh s VAL 107 Cb -0.12 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3cxh s VAL 107 CO 0.28 0.10 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.39 3cxh s VAL 108 N 1.27 3.25 0.13 2.04 1.01 -1.26 -1.64 120.40 125.20 3cxh s VAL 108 Ca -0.07 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3cxh s VAL 108 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3cxh s VAL 108 CO -0.03 0.46 -0.17 0.68 0.00 0.00 0.00 175.10 176.04 3cxh s VAL 109 N 1.08 1.54 -0.07 2.92 -7.23 -0.82 -4.94 120.40 112.87 3cxh s VAL 109 Ca 0.01 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.29 3cxh s VAL 109 Cb -0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3cxh s VAL 109 CO -0.01 -0.30 0.46 -0.75 -0.31 0.00 0.00 175.10 174.19 3cxh s LYS 110 N -2.49 4.21 -0.11 4.82 2.20 -1.26 0.08 119.74 127.18 3cxh s LYS 110 Ca 0.10 0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 56.12 3cxh s LYS 110 Cb -0.07 -3.36 0.06 0.00 -1.51 0.00 0.00 37.83 32.96 3cxh s LYS 110 CO 0.04 0.36 0.21 -0.46 -0.36 0.00 0.00 175.35 175.15 3cxh s TRP 111 N -0.04 -0.30 -1.48 4.03 -0.00 -0.43 -4.86 118.94 115.85 3cxh s TRP 111 Ca 0.25 0.77 -0.12 0.00 -0.00 0.00 0.00 56.10 57.00 3cxh s TRP 111 Cb -0.16 -0.16 0.07 0.00 -0.00 0.00 0.00 33.47 33.22 3cxh s TRP 111 CO 0.12 -0.33 0.86 1.04 -0.00 0.00 0.00 176.95 178.64 3cxh n GLN 112 N 5.34 -5.18 -0.03 5.86 6.02 -1.26 -1.32 117.38 126.81 3cxh n GLN 112 Ca -0.05 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3cxh n GLN 112 Cb 0.50 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.27 3cxh n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cxh n GLY 113 N -1.59 2.07 3.87 1.08 0.00 -1.26 -4.98 105.19 104.38 3cxh n GLY 113 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cxh n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxh s LYS 114 N -0.01 3.25 0.22 1.61 1.02 -0.43 -5.09 119.74 120.31 3cxh s LYS 114 Ca 0.00 -0.54 -0.24 0.00 0.02 0.00 0.00 55.97 55.21 3cxh s LYS 114 Cb 0.00 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 3cxh s LYS 114 CO 0.00 0.59 0.81 -1.25 -0.92 0.00 0.00 175.35 174.58 3cxh s PRO 115 N -2.51 4.49 -0.20 -1.68 0.04 -1.26 -1.32 135.00 132.55 3cxh s PRO 115 Ca 0.33 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 3cxh s PRO 115 Cb -0.13 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.39 3cxh s PRO 115 CO 0.26 0.45 -0.14 0.08 0.04 0.00 0.00 177.00 177.69 3cxh s VAL 116 N -1.38 2.49 -0.06 -0.36 1.01 0.11 -0.71 120.40 121.51 3cxh s VAL 116 Ca 0.42 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 3cxh s VAL 116 Cb -0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3cxh s VAL 116 CO 0.24 0.43 0.64 -0.36 0.00 0.00 0.00 175.10 176.06 3cxh s PHE 117 N 1.33 3.59 -0.07 5.22 2.99 0.30 -1.95 117.98 129.38 3cxh s PHE 117 Ca 0.04 1.18 -0.01 0.00 0.00 0.00 0.00 56.93 58.13 3cxh s PHE 117 Cb -0.14 -2.72 0.03 0.00 0.00 0.00 0.00 43.02 40.19 3cxh s PHE 117 CO -0.09 0.16 0.01 0.42 -0.00 0.00 0.00 175.22 175.71 3cxh s ILE 118 N 0.55 0.35 -0.03 0.64 1.01 -0.65 -0.62 121.20 122.45 3cxh s ILE 118 Ca 0.34 0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.18 3cxh s ILE 118 Cb -0.17 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3cxh s ILE 118 CO 0.17 0.24 -0.25 -0.60 0.00 0.00 0.00 174.94 174.49 3cxh s ARG 119 N 1.98 2.20 -0.82 2.79 3.52 0.23 -1.41 118.95 127.45 3cxh s ARG 119 Ca 0.05 -0.92 -0.17 0.00 -0.13 0.00 0.00 55.73 54.56 3cxh s ARG 119 Cb -0.12 -2.08 0.15 0.00 -1.56 0.00 0.00 34.95 31.34 3cxh s ARG 119 CO -0.05 0.53 0.92 -1.58 -0.81 0.00 0.00 175.30 174.31 3cxh s HIS 120 N -0.54 3.29 0.32 5.12 5.65 -1.13 -1.85 115.29 126.14 3cxh s HIS 120 Ca 0.08 -1.47 -0.29 0.00 0.25 0.00 0.00 55.06 53.63 3cxh s HIS 120 Cb -0.11 -4.08 -0.10 0.00 -1.18 0.00 0.00 32.58 27.11 3cxh s HIS 120 CO -0.00 -1.29 1.26 1.03 -0.65 0.00 0.00 174.74 175.08 3cxh s ARG 121 N 1.92 4.41 0.54 2.88 0.52 -0.21 -3.35 118.95 125.66 3cxh s ARG 121 Ca 0.23 2.12 -0.10 0.00 -0.52 0.00 0.00 55.73 57.46 3cxh s ARG 121 Cb -0.11 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 3cxh s ARG 121 CO -0.05 -0.11 0.93 0.95 0.02 0.00 0.00 175.30 177.04 3cxh s THR 122 N -1.15 4.75 0.26 0.02 -4.23 -1.26 -4.82 115.64 109.20 3cxh s THR 122 Ca 0.48 0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 61.69 3cxh s THR 122 Cb -0.38 -3.83 0.24 0.00 1.34 0.00 0.00 72.50 69.87 3cxh s THR 122 CO 0.50 -0.93 1.72 -0.65 -0.54 0.00 0.00 174.62 174.71 3cxh h PRO 123 N 0.19 0.40 -0.90 3.99 0.11 -1.98 0.56 132.00 134.36 3cxh h PRO 123 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3cxh h PRO 123 Cb 1.19 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3cxh h PRO 123 CO 0.62 0.26 0.54 0.45 -0.21 0.00 0.00 178.00 179.67 3cxh h HIS 124 N 0.41 1.19 -0.59 0.65 3.86 -2.00 -1.86 115.15 116.81 3cxh h HIS 124 Ca 0.45 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.58 3cxh h HIS 124 Cb 0.74 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3cxh h HIS 124 CO -0.18 0.79 0.08 0.93 0.86 0.00 0.00 177.93 180.42 3cxh h GLU 125 N 1.25 0.99 -0.45 2.45 5.08 -1.33 -1.04 114.58 121.53 3cxh h GLU 125 Ca 0.32 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3cxh h GLU 125 Cb -0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3cxh h GLU 125 CO -0.06 0.94 0.09 0.82 -1.00 0.00 0.00 179.01 179.80 3cxh h ILE 126 N 0.89 1.20 0.04 3.13 2.04 -0.56 -1.46 117.51 122.79 3cxh h ILE 126 Ca 0.18 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3cxh h ILE 126 Cb 0.44 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3cxh h ILE 126 CO 0.01 0.27 -0.02 -0.61 0.00 0.00 0.00 178.15 177.81 3cxh h GLN 127 N 0.66 -0.05 -0.92 2.37 4.15 -1.06 -2.79 115.11 117.47 3cxh h GLN 127 Ca 0.15 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.77 3cxh h GLN 127 Cb 0.28 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 3cxh h GLN 127 CO 0.00 0.49 0.60 1.49 -1.93 0.00 0.00 178.83 179.48 3cxh h GLU 128 N -0.62 0.42 -0.25 1.69 4.81 -0.99 -1.21 114.58 118.44 3cxh h GLU 128 Ca -0.01 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3cxh h GLU 128 Cb 0.56 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3cxh h GLU 128 CO 0.01 0.28 -0.16 0.00 -0.73 0.00 0.00 179.01 178.41 3cxh h ALA 129 N 1.61 0.35 -0.31 2.92 0.00 -1.20 -3.23 119.26 119.40 3cxh h ALA 129 Ca 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3cxh h ALA 129 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3cxh h ALA 129 CO -0.20 0.25 0.00 0.27 0.00 0.00 0.00 179.25 179.58 3cxh n ASN 130 N -4.44 2.22 -0.89 0.00 0.23 -0.63 -4.18 115.26 107.57 3cxh n ASN 130 Ca -0.04 -1.87 0.09 0.00 -0.53 0.00 0.00 54.58 52.22 3cxh n ASN 130 Cb 0.38 -0.20 0.26 0.00 -2.08 0.00 0.00 39.78 38.13 3cxh n ASN 130 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3cxh n SER 131 N 0.69 3.87 -4.77 0.53 7.64 -0.55 -4.99 113.62 116.04 3cxh n SER 131 Ca 0.16 -3.01 -0.36 0.00 1.01 0.00 0.00 58.87 56.67 3cxh n SER 131 Cb 0.39 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 3cxh n SER 131 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cxh s VAL 132 N -2.81 5.08 0.11 0.44 1.01 -1.26 -5.03 120.40 117.94 3cxh s VAL 132 Ca 0.42 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 3cxh s VAL 132 Cb 0.34 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 3cxh s VAL 132 CO 0.09 0.57 1.33 -0.62 0.00 0.00 0.00 175.10 176.46 3cxh s ASP 133 N -0.61 6.91 0.29 3.32 3.68 -1.26 -4.93 116.67 124.07 3cxh s ASP 133 Ca 0.12 2.24 0.01 0.00 2.13 0.00 0.00 52.55 57.05 3cxh s ASP 133 Cb -0.12 -2.59 0.54 0.00 -1.45 0.00 0.00 42.92 39.30 3cxh s ASP 133 CO 0.02 -0.58 1.86 0.24 0.13 0.00 0.00 175.17 176.84 3cxh h MET 134 N 6.65 1.00 0.00 4.34 2.86 -1.96 -1.56 114.93 126.25 3cxh h MET 134 Ca -0.42 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3cxh h MET 134 Cb 1.21 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3cxh h MET 134 CO 0.84 0.66 0.15 -1.13 1.06 0.00 0.00 176.91 178.48 3cxh n SER 135 N -4.56 0.40 -2.16 1.22 3.41 -1.26 -0.96 113.62 109.71 3cxh n SER 135 Ca 0.17 0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 59.13 3cxh n SER 135 Cb 0.29 -0.63 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 3cxh n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cxh n ALA 136 N -1.64 5.80 -3.68 7.33 0.00 -0.59 -4.89 120.51 122.84 3cxh n ALA 136 Ca -0.01 -3.28 -0.13 0.00 0.00 0.00 0.00 53.44 50.03 3cxh n ALA 136 Cb 0.17 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 3cxh n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cxh s LEU 137 N -3.58 -0.17 0.47 0.00 1.43 -0.13 -4.95 118.68 111.76 3cxh s LEU 137 Ca 0.59 0.63 0.26 0.00 -1.03 0.00 0.00 54.13 54.58 3cxh s LEU 137 Cb 0.48 0.80 1.10 0.00 0.03 0.00 0.00 46.19 48.60 3cxh s LEU 137 CO 0.04 -0.22 1.90 0.07 0.23 0.00 0.00 176.35 178.37 3cxh h LYS 138 N 8.00 0.00 -2.77 1.70 2.10 -1.85 -3.28 116.57 120.46 3cxh h LYS 138 Ca -0.21 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.83 3cxh h LYS 138 Cb 1.13 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.05 3cxh h LYS 138 CO 0.19 0.18 -0.70 -3.47 -2.00 0.00 0.00 179.45 173.65 3cxh n ASP 139 N -3.41 2.06 -4.67 7.07 4.64 -1.26 -5.04 116.55 115.93 3cxh n ASP 139 Ca -0.00 -2.99 -0.49 0.00 -1.38 0.00 0.00 54.79 49.92 3cxh n ASP 139 Cb 0.37 -0.69 -0.05 0.00 -1.04 0.00 0.00 41.12 39.71 3cxh n ASP 139 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3cxh n PRO 140 N 2.07 2.06 -3.64 -0.67 -0.02 -1.24 -4.80 135.00 128.76 3cxh n PRO 140 Ca 0.24 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.39 3cxh n PRO 140 Cb 0.40 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.19 3cxh n PRO 140 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3cxh s GLN 141 N 4.21 0.64 0.51 -0.52 0.74 -1.26 -5.16 119.66 118.83 3cxh s GLN 141 Ca 0.94 0.98 -0.17 0.00 0.05 0.00 0.00 55.36 57.16 3cxh s GLN 141 Cb -0.72 0.20 -0.08 0.00 1.10 0.00 0.00 33.01 33.51 3cxh s GLN 141 CO 0.52 -0.11 1.00 0.95 -0.55 0.00 0.00 175.29 177.10 3cxh s THR 142 N 1.14 4.32 0.49 -0.34 -4.23 -1.26 -4.93 115.64 110.82 3cxh s THR 142 Ca -0.06 1.18 0.15 0.00 -1.18 0.00 0.00 61.69 61.78 3cxh s THR 142 Cb -0.05 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.43 3cxh s THR 142 CO -0.13 -0.57 2.11 -0.78 -0.54 0.00 0.00 174.62 174.71 3cxh h ASP 143 N 1.02 0.06 0.25 3.99 -0.00 -1.94 -2.11 116.42 117.68 3cxh h ASP 143 Ca -0.47 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.48 3cxh h ASP 143 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 40.50 3cxh h ASP 143 CO 0.60 0.08 -0.32 0.00 -0.00 0.00 0.00 179.24 179.61 3cxh h ALA 144 N 1.93 1.36 0.00 -0.78 0.00 -1.92 -1.78 119.26 118.07 3cxh h ALA 144 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cxh h ALA 144 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cxh h ALA 144 CO 0.00 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 3cxh n ASP 145 N -4.13 0.00 -0.01 0.00 8.00 -0.80 -3.65 116.55 115.97 3cxh n ASP 145 Ca -0.02 0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.66 3cxh n ASP 145 Cb 0.38 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 3cxh n ASP 145 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cxh n ARG 146 N -1.36 0.44 -4.28 -1.24 1.74 -0.74 -5.00 116.66 106.22 3cxh n ARG 146 Ca 0.11 -0.12 -0.17 0.00 -0.77 0.00 0.00 57.85 56.89 3cxh n ARG 146 Cb 0.26 -1.32 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 3cxh n ARG 146 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cxh s VAL 147 N -2.93 0.69 0.01 1.55 -7.23 -0.80 -4.77 120.40 106.92 3cxh s VAL 147 Ca -0.05 -0.54 0.08 0.00 -1.81 0.00 0.00 61.98 59.66 3cxh s VAL 147 Cb 0.09 -0.61 -0.23 0.00 0.56 0.00 0.00 36.38 36.18 3cxh s VAL 147 CO 0.57 0.08 0.88 0.11 -0.31 0.00 0.00 175.10 176.42 3cxh h LYS 148 N 5.60 0.05 -3.81 4.82 1.57 -1.84 -3.44 116.57 119.52 3cxh h LYS 148 Ca -0.32 -0.08 -0.50 0.00 -1.87 0.00 0.00 60.65 57.88 3cxh h LYS 148 Cb 1.18 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.14 3cxh h LYS 148 CO 0.48 0.77 -0.78 0.34 -0.57 0.00 0.00 179.45 179.69 3cxh s ASP 149 N -6.45 2.39 0.57 0.86 -1.08 -1.26 -5.02 116.67 106.67 3cxh s ASP 149 Ca -0.04 -0.49 0.34 0.00 -0.52 0.00 0.00 52.55 51.83 3cxh s ASP 149 Cb 0.08 -0.65 1.41 0.00 -1.46 0.00 0.00 42.92 42.31 3cxh s ASP 149 CO 0.83 -0.22 1.69 1.55 0.52 0.00 0.00 175.17 179.54 3cxh h PRO 150 N 8.23 0.00 0.00 4.34 0.13 -1.97 0.10 132.00 142.83 3cxh h PRO 150 Ca -0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 3cxh h PRO 150 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3cxh h PRO 150 CO 0.33 0.00 -0.61 0.37 -0.23 0.00 0.00 178.00 177.86 3cxh h GLN 151 N 0.00 0.00 -4.69 0.86 4.15 -1.93 -3.42 115.11 110.07 3cxh h GLN 151 Ca 0.48 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 59.23 3cxh h GLN 151 Cb 2.25 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 29.56 3cxh h GLN 151 CO -0.01 0.61 -0.70 -1.58 -1.93 0.00 0.00 178.83 175.23 3cxh s TRP 152 N -3.56 3.62 -0.28 3.99 0.52 0.35 -1.05 118.94 122.52 3cxh s TRP 152 Ca -0.01 -2.71 -0.22 0.00 0.02 0.00 0.00 56.10 53.18 3cxh s TRP 152 Cb 0.12 -2.76 -0.01 0.00 -1.15 0.00 0.00 33.47 29.68 3cxh s TRP 152 CO 0.76 -0.93 0.71 -1.17 0.02 0.00 0.00 176.95 176.34 3cxh s LEU 153 N 1.00 4.10 -0.12 2.99 2.96 -0.77 -4.60 118.68 124.22 3cxh s LEU 153 Ca 0.06 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3cxh s LEU 153 Cb -0.20 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.54 3cxh s LEU 153 CO -0.06 -0.51 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.70 3cxh s ILE 154 N 2.74 1.38 0.17 6.68 1.01 -1.26 -0.60 121.20 131.33 3cxh s ILE 154 Ca 0.29 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 3cxh s ILE 154 Cb -0.15 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.06 3cxh s ILE 154 CO 0.11 0.42 0.54 0.00 0.00 0.00 0.00 174.94 176.01 3cxh s MET 155 N 1.37 1.29 -0.03 2.79 0.23 0.21 -4.53 119.30 120.63 3cxh s MET 155 Ca 0.01 -0.68 -0.30 0.00 -1.03 0.00 0.00 55.69 53.69 3cxh s MET 155 Cb -0.13 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 3cxh s MET 155 CO -0.07 -0.55 1.18 -0.51 -2.03 0.00 0.00 175.02 173.04 3cxh s LEU 156 N -2.81 4.30 -1.18 0.18 1.43 -0.48 0.11 118.68 120.23 3cxh s LEU 156 Ca 0.04 1.83 -0.07 0.00 -1.03 0.00 0.00 54.13 54.90 3cxh s LEU 156 Cb -0.01 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 3cxh s LEU 156 CO -0.09 -0.54 2.80 0.61 0.23 0.00 0.00 176.35 179.36 3cxh n GLY 157 N 3.30 4.50 3.06 -3.19 0.00 0.11 -4.41 105.19 108.57 3cxh n GLY 157 Ca 0.10 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3cxh n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxh s ILE 158 N 0.22 2.01 0.16 -0.61 -1.09 -1.26 -4.26 121.20 116.37 3cxh s ILE 158 Ca 0.62 -1.34 -0.32 0.00 -2.23 0.00 0.00 60.65 57.39 3cxh s ILE 158 Cb 0.22 -2.05 -0.11 0.00 -1.58 0.00 0.00 42.46 38.94 3cxh s ILE 158 CO -0.09 0.14 1.72 0.00 -1.23 0.00 0.00 174.94 175.48 3cxh n THR 160 N 4.27 0.00 0.00 0.00 -2.24 -1.26 -2.08 114.28 112.97 3cxh n THR 160 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3cxh n THR 160 Cb 0.37 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3cxh n THR 160 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3cxh n HIS 161 N -0.94 0.00 -1.53 4.78 -0.00 -1.26 -4.44 115.22 111.83 3cxh n HIS 161 Ca 0.13 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.90 3cxh n HIS 161 Cb 0.06 -0.10 0.08 0.00 -0.00 0.00 0.00 29.99 30.02 3cxh n HIS 161 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3cxh n LEU 162 N -0.81 1.26 0.00 0.27 4.77 -1.25 -5.00 117.00 116.24 3cxh n LEU 162 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 3cxh n LEU 162 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3cxh n LEU 162 CO 0.00 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3cxh n GLY 163 N -0.74 2.90 3.61 -0.72 0.00 -0.88 -5.04 105.19 104.32 3cxh n GLY 163 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3cxh n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxh s VAL 165 N -2.57 5.05 0.39 0.00 1.01 -1.26 -0.62 120.40 122.39 3cxh s VAL 165 Ca 0.65 0.64 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 3cxh s VAL 165 Cb -0.23 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 3cxh s VAL 165 CO 0.60 -0.04 1.43 -2.84 0.00 0.00 0.00 175.10 174.25 3cxh s PRO 166 N 2.35 4.03 0.07 2.72 0.02 -1.26 -4.73 135.00 138.20 3cxh s PRO 166 Ca 0.20 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 3cxh s PRO 166 Cb -0.15 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 3cxh s PRO 166 CO 0.11 -0.55 0.94 0.42 -0.33 0.00 0.00 177.00 177.59 3cxh s ILE 167 N -1.16 4.64 0.40 2.83 1.01 0.23 -4.81 121.20 124.34 3cxh s ILE 167 Ca 0.55 2.01 -0.23 0.00 0.00 0.00 0.00 60.65 62.97 3cxh s ILE 167 Cb -0.44 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 37.64 3cxh s ILE 167 CO 0.58 0.28 1.00 -0.83 0.00 0.00 0.00 174.94 175.98 3cxh s GLY 168 N 0.28 2.64 -1.31 6.18 0.00 -1.26 -1.20 107.32 112.65 3cxh s GLY 168 Ca 0.47 0.59 -0.04 0.00 0.00 0.00 0.00 44.72 45.74 3cxh s GLY 168 CO 0.28 0.97 0.93 1.18 0.00 0.00 0.00 173.10 176.46 3cxh n GLU 169 N -0.18 -6.11 -4.21 2.90 1.02 -0.66 -4.94 120.64 108.47 3cxh n GLU 169 Ca 0.05 0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 57.78 3cxh n GLU 169 Cb 0.51 -5.58 -0.09 0.00 -0.02 0.00 0.00 31.44 26.27 3cxh n GLU 169 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cxh s ALA 170 N -3.45 1.30 0.00 0.62 0.00 -0.68 -4.98 121.76 114.57 3cxh s ALA 170 Ca 0.20 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3cxh s ALA 170 Cb -0.09 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.41 3cxh s ALA 170 CO 0.77 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3cxh n GLY 171 N -0.42 -0.74 1.28 0.00 0.00 -1.26 -3.34 105.19 100.71 3cxh n GLY 171 Ca 0.04 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.39 3cxh n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxh n ASP 172 N -1.42 3.55 -1.33 1.61 8.00 -1.26 -4.10 116.55 121.60 3cxh n ASP 172 Ca 0.00 -2.52 0.04 0.00 0.71 0.00 0.00 54.79 53.01 3cxh n ASP 172 Cb 0.00 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.52 3cxh n ASP 172 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cxh n PHE 173 N 0.29 0.00 -2.50 1.24 3.01 -1.26 -4.99 117.46 113.25 3cxh n PHE 173 Ca 0.16 -0.51 -0.16 0.00 1.01 0.00 0.00 57.45 57.95 3cxh n PHE 173 Cb 0.78 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 40.10 3cxh n PHE 173 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cxh n GLY 174 N 0.34 -0.50 0.00 1.37 0.00 -1.26 -3.68 105.19 101.46 3cxh n GLY 174 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3cxh n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxh n GLY 175 N -0.93 2.81 3.39 -0.02 0.00 -1.18 -3.86 105.19 105.39 3cxh n GLY 175 Ca -0.18 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3cxh n GLY 175 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cxh s TRP 176 N 2.57 2.34 -0.10 1.61 0.51 0.16 -1.65 118.94 124.38 3cxh s TRP 176 Ca 0.00 -0.37 0.03 0.00 -2.12 0.00 0.00 56.10 53.64 3cxh s TRP 176 Cb 0.00 -1.31 0.01 0.00 -0.81 0.00 0.00 33.47 31.36 3cxh s TRP 176 CO 0.00 0.27 -0.20 0.12 -0.51 0.00 0.00 176.95 176.64 3cxh s PHE 177 N -0.98 2.24 -0.29 -1.98 5.36 -0.34 0.50 117.98 122.49 3cxh s PHE 177 Ca 0.14 -0.97 -0.17 0.00 -0.96 0.00 0.00 56.93 54.97 3cxh s PHE 177 Cb -0.10 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 3cxh s PHE 177 CO 0.05 -0.43 0.45 0.00 -1.46 0.00 0.00 175.22 173.83 3cxh h PRO 179 N 8.20 0.00 0.09 0.00 0.13 -1.88 -2.69 132.00 135.85 3cxh h PRO 179 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3cxh h PRO 179 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3cxh h PRO 179 CO 0.70 0.06 -0.04 0.00 -0.23 0.00 0.00 178.00 178.49 3cxh n HIS 181 N -5.01 0.00 -2.36 0.00 8.25 -1.25 -5.05 115.22 109.79 3cxh n HIS 181 Ca -0.08 -0.13 -0.04 0.00 -0.26 0.00 0.00 57.72 57.21 3cxh n HIS 181 Cb 0.18 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.26 3cxh n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cxh n GLY 182 N -0.18 0.26 3.54 -1.41 0.00 -1.02 -4.57 105.19 101.81 3cxh n GLY 182 Ca 0.02 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3cxh n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxh s SER 183 N -3.32 5.45 -0.15 1.61 0.01 -1.21 -4.01 113.70 112.08 3cxh s SER 183 Ca 0.00 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.12 3cxh s SER 183 Cb -0.00 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 3cxh s SER 183 CO 0.18 0.04 0.10 -1.00 0.41 0.00 0.00 173.24 172.97 3cxh s HIS 184 N 1.17 3.40 0.06 2.43 0.09 0.57 -0.55 115.29 122.45 3cxh s HIS 184 Ca 0.05 0.31 0.09 0.00 -0.00 0.00 0.00 55.06 55.51 3cxh s HIS 184 Cb -0.14 -2.02 -0.03 0.00 -0.00 0.00 0.00 32.58 30.39 3cxh s HIS 184 CO 0.04 0.43 -0.23 0.71 -0.00 0.00 0.00 174.74 175.68 3cxh s TYR 185 N -0.26 2.41 0.79 1.40 1.51 0.18 -1.30 117.35 122.08 3cxh s TYR 185 Ca 0.10 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3cxh s TYR 185 Cb -0.12 -1.40 0.15 0.00 -0.11 0.00 0.00 41.96 40.48 3cxh s TYR 185 CO 0.01 0.21 1.08 0.16 -1.11 0.00 0.00 175.55 175.90 3cxh s ASP 186 N -1.45 4.02 0.00 2.29 1.47 -0.62 -0.67 116.67 121.71 3cxh s ASP 186 Ca 0.13 -0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.69 3cxh s ASP 186 Cb -0.10 -0.12 0.00 0.00 -0.34 0.00 0.00 42.92 42.35 3cxh s ASP 186 CO 0.04 -2.09 0.52 0.00 0.68 0.00 0.00 175.17 174.32 3cxh n ILE 187 N -3.09 0.30 0.12 2.11 0.13 -1.24 0.11 119.36 117.80 3cxh n ILE 187 Ca 0.15 0.09 0.03 0.00 -1.10 0.00 0.00 62.75 61.92 3cxh n ILE 187 Cb 0.60 -1.09 0.05 0.00 -0.84 0.00 0.00 39.64 38.36 3cxh n ILE 187 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 3cxh n SER 188 N -1.02 1.88 -0.03 9.51 2.88 -1.26 -4.93 113.62 120.65 3cxh n SER 188 Ca 0.00 -1.54 -0.00 0.00 -1.33 0.00 0.00 58.87 56.00 3cxh n SER 188 Cb 0.01 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 63.42 3cxh n SER 188 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cxh n GLY 189 N 0.22 0.47 3.82 0.46 0.00 0.31 -4.93 105.19 105.54 3cxh n GLY 189 Ca 0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3cxh n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cxh s ARG 190 N -0.55 4.21 -0.12 1.61 0.52 -1.25 -1.31 118.95 122.06 3cxh s ARG 190 Ca 0.00 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 3cxh s ARG 190 Cb 0.00 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 3cxh s ARG 190 CO 0.00 0.06 1.22 -1.50 0.02 0.00 0.00 175.30 175.09 3cxh s ILE 191 N -2.06 4.30 -0.09 1.52 1.10 -1.26 -1.59 121.20 123.10 3cxh s ILE 191 Ca 0.58 1.59 0.06 0.00 -0.51 0.00 0.00 60.65 62.38 3cxh s ILE 191 Cb -0.10 -4.03 -0.10 0.00 0.15 0.00 0.00 42.46 38.38 3cxh s ILE 191 CO 0.15 -0.07 -0.00 0.54 -2.11 0.00 0.00 174.94 173.45 3cxh n ARG 192 N 5.92 1.99 -3.55 3.50 5.12 -0.42 -4.35 116.66 124.88 3cxh n ARG 192 Ca 0.12 0.01 -0.17 0.00 -1.93 0.00 0.00 57.85 55.89 3cxh n ARG 192 Cb 0.46 -1.23 -0.06 0.00 -1.16 0.00 0.00 32.46 30.46 3cxh n ARG 192 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3cxh s LYS 193 N -2.22 0.97 0.00 5.56 2.20 -1.17 -4.94 119.74 120.14 3cxh s LYS 193 Ca -0.07 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3cxh s LYS 193 Cb 0.03 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3cxh s LYS 193 CO 0.34 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3cxh n GLY 194 N 1.32 -1.20 0.20 5.54 0.00 -1.26 -0.31 105.19 109.48 3cxh n GLY 194 Ca -0.17 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.75 3cxh n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxh h PRO 195 N 5.44 0.00 -6.78 1.61 0.13 -1.81 -3.46 132.00 127.14 3cxh h PRO 195 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3cxh h PRO 195 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 3cxh h PRO 195 CO 0.00 0.00 0.91 0.00 -0.23 0.00 0.00 178.00 178.68 3cxh s ALA 196 N -3.44 3.79 -0.55 -0.56 0.00 -1.26 -4.83 121.76 114.89 3cxh s ALA 196 Ca 0.04 1.58 0.23 0.00 0.00 0.00 0.00 51.96 53.81 3cxh s ALA 196 Cb 0.09 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3cxh s ALA 196 CO 0.50 -0.98 0.97 -0.35 0.00 0.00 0.00 175.76 175.90 3cxh n PRO 197 N 2.50 0.33 -4.26 0.00 -0.04 -1.26 -4.94 135.00 127.32 3cxh n PRO 197 Ca 0.10 -0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 3cxh n PRO 197 Cb 0.37 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 3cxh n PRO 197 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cxh s LEU 198 N -4.02 2.52 0.64 1.53 1.43 -1.26 -4.59 118.68 114.92 3cxh s LEU 198 Ca 0.03 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 3cxh s LEU 198 Cb 0.14 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 3cxh s LEU 198 CO 0.81 -0.28 1.07 0.20 0.23 0.00 0.00 176.35 178.38 3cxh s ASN 199 N -3.11 5.52 0.14 2.29 0.01 -1.26 -4.47 114.94 114.07 3cxh s ASN 199 Ca 0.17 1.79 -0.33 0.00 -0.71 0.00 0.00 52.86 53.77 3cxh s ASN 199 Cb 0.01 -2.52 -0.13 0.00 0.41 0.00 0.00 41.25 39.02 3cxh s ASN 199 CO 0.02 -1.34 1.69 0.18 -1.51 0.00 0.00 177.10 176.14 3cxh n LEU 200 N -2.44 3.53 -4.75 0.60 4.77 -0.42 -4.88 117.00 113.40 3cxh n LEU 200 Ca 0.09 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.70 3cxh n LEU 200 Cb 0.53 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 3cxh n LEU 200 CO 0.50 -0.06 1.11 -0.70 -1.33 0.00 0.00 177.39 176.91 3cxh s GLU 201 N 1.63 4.24 -0.23 3.23 2.12 -1.26 -4.83 118.70 123.59 3cxh s GLU 201 Ca 0.80 2.37 -0.16 0.00 0.36 0.00 0.00 54.97 58.33 3cxh s GLU 201 Cb -0.60 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3cxh s GLU 201 CO 0.38 -0.43 0.42 0.42 -0.54 0.00 0.00 175.26 175.50 3cxh s ILE 202 N -0.30 5.16 0.70 -3.70 1.09 -1.26 -1.38 121.20 121.51 3cxh s ILE 202 Ca 0.58 0.71 -0.09 0.00 -1.10 0.00 0.00 60.65 60.74 3cxh s ILE 202 Cb -0.43 -3.74 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 3cxh s ILE 202 CO 0.48 0.19 1.05 -2.16 -0.10 0.00 0.00 174.94 174.40 3cxh s PRO 203 N 1.72 2.58 0.18 2.79 0.04 -1.26 -4.97 135.00 136.07 3cxh s PRO 203 Ca 0.18 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3cxh s PRO 203 Cb -0.15 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 3cxh s PRO 203 CO 0.09 -1.10 1.09 0.00 0.04 0.00 0.00 177.00 177.12 3cxh s ALA 204 N -3.28 3.37 0.26 8.56 0.00 -1.26 -4.97 121.76 124.43 3cxh s ALA 204 Ca 0.58 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 3cxh s ALA 204 Cb -0.11 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3cxh s ALA 204 CO 0.48 -0.19 0.58 1.52 0.00 0.00 0.00 175.76 178.15 3cxh s TYR 205 N -0.30 0.11 -0.05 0.00 1.13 -1.26 -1.44 117.35 115.53 3cxh s TYR 205 Ca 0.49 -0.51 -0.12 0.00 -1.41 0.00 0.00 57.07 55.52 3cxh s TYR 205 Cb -0.29 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.01 3cxh s TYR 205 CO 0.35 -1.10 0.28 -1.21 -2.51 0.00 0.00 175.55 171.36 3cxh s GLU 206 N -3.97 0.50 0.49 -3.49 2.02 -0.96 -5.02 118.70 108.28 3cxh s GLU 206 Ca 0.17 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 3cxh s GLU 206 Cb -0.03 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.43 3cxh s GLU 206 CO 0.08 -0.11 0.74 -0.06 0.02 0.00 0.00 175.26 175.92 3cxh s PHE 207 N -0.72 3.25 -0.44 1.61 0.40 -1.26 -1.28 117.98 119.54 3cxh s PHE 207 Ca -0.08 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 3cxh s PHE 207 Cb -0.04 -2.42 0.23 0.00 0.51 0.00 0.00 43.02 41.29 3cxh s PHE 207 CO 0.02 -0.48 0.96 -3.47 0.70 0.00 0.00 175.22 172.96 3cxh n ASP 208 N -2.22 -2.44 0.00 1.36 -0.08 -0.31 -4.89 116.55 107.96 3cxh n ASP 208 Ca 0.02 -2.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.83 3cxh n ASP 208 Cb 0.57 1.38 0.00 0.00 2.34 0.00 0.00 41.12 45.41 3cxh n ASP 208 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cxh n GLY 209 N 2.10 2.17 0.47 0.27 0.00 -1.26 -3.14 105.19 105.81 3cxh n GLY 209 Ca 0.10 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3cxh n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxh n ASP 210 N 9.39 1.51 -4.17 1.61 10.43 -1.26 -4.93 116.55 129.12 3cxh n ASP 210 Ca 0.00 -1.43 -0.13 0.00 2.57 0.00 0.00 54.79 55.80 3cxh n ASP 210 Cb 0.00 0.02 -0.10 0.00 1.84 0.00 0.00 41.12 42.88 3cxh n ASP 210 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3cxh s LYS 211 N -2.08 0.85 0.14 -1.24 0.00 -1.19 -1.34 119.74 114.88 3cxh s LYS 211 Ca 0.35 -1.23 0.10 0.00 0.00 0.00 0.00 55.97 55.18 3cxh s LYS 211 Cb 0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 37.83 37.59 3cxh s LYS 211 CO 0.36 0.04 -0.19 0.54 0.00 0.00 0.00 175.35 176.11 3cxh s VAL 212 N -2.92 2.76 -0.25 1.79 0.11 -0.08 -1.16 120.40 120.63 3cxh s VAL 212 Ca 0.08 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.51 3cxh s VAL 212 Cb 0.00 -2.29 0.06 0.00 -1.53 0.00 0.00 36.38 32.63 3cxh s VAL 212 CO -0.02 0.03 -0.07 -0.51 -3.33 0.00 0.00 175.10 171.21 3cxh s ILE 213 N -1.31 1.83 0.07 7.04 2.07 -0.40 -0.57 121.20 129.93 3cxh s ILE 213 Ca 0.19 -1.46 -0.15 0.00 -1.41 0.00 0.00 60.65 57.82 3cxh s ILE 213 Cb -0.10 -2.04 -0.06 0.00 0.13 0.00 0.00 42.46 40.39 3cxh s ILE 213 CO 0.10 -0.11 0.48 -0.69 -1.91 0.00 0.00 174.94 172.82 3cxh s VAL 214 N 1.25 4.92 0.00 4.00 1.01 0.52 -2.25 120.40 129.85 3cxh s VAL 214 Ca -0.06 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3cxh s VAL 214 Cb -0.19 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3cxh s VAL 214 CO -0.06 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.08