#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s VAL 2 N 0.00 5.39 -0.03 3.84 1.01 -1.26 -4.02 120.40 125.33 3cxh s VAL 2 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3cxh s VAL 2 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3cxh s VAL 2 CO 0.00 0.50 -0.05 -0.54 0.00 0.00 0.00 175.10 175.00 3cxh s LYS 3 N -0.16 0.68 -0.29 2.72 1.02 -0.50 -5.00 119.74 118.22 3cxh s LYS 3 Ca 0.13 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 3cxh s LYS 3 Cb -0.12 -0.69 0.05 0.00 -0.52 0.00 0.00 37.83 36.55 3cxh s LYS 3 CO 0.02 0.00 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.93 3cxh s LEU 4 N 0.50 3.73 -0.20 3.17 1.02 -1.26 -1.55 118.68 124.09 3cxh s LEU 4 Ca -0.06 -1.20 -0.05 0.00 0.02 0.00 0.00 54.13 52.84 3cxh s LEU 4 Cb -0.10 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 3cxh s LEU 4 CO -0.00 -0.23 -0.01 -1.58 0.02 0.00 0.00 176.35 174.55 3cxh s GLN 5 N 1.26 3.55 -0.08 1.70 2.00 -0.19 -4.11 119.66 123.79 3cxh s GLN 5 Ca -0.04 -0.55 -0.06 0.00 -2.00 0.00 0.00 55.36 52.70 3cxh s GLN 5 Cb -0.19 -3.05 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 3cxh s GLN 5 CO -0.02 -0.04 0.17 -1.21 -0.50 0.00 0.00 175.29 173.69 3cxh s GLU 6 N 1.12 3.46 0.16 1.67 2.02 -1.26 -0.10 118.70 125.76 3cxh s GLU 6 Ca 0.02 -0.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.71 3cxh s GLU 6 Cb -0.14 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 30.94 3cxh s GLU 6 CO 0.01 0.74 0.38 -1.54 0.02 0.00 0.00 175.26 174.87 3cxh s SER 7 N -1.33 -0.12 0.00 -0.19 1.04 -0.69 -4.98 113.70 107.43 3cxh s SER 7 Ca 0.20 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3cxh s SER 7 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3cxh s SER 7 CO 0.09 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3cxh n GLY 8 N -0.24 3.08 3.60 7.32 0.00 -1.26 -1.49 105.19 116.19 3cxh n GLY 8 Ca -0.11 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3cxh n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxh s ALA 9 N -2.01 2.85 -0.39 4.61 0.00 -1.26 -4.89 121.76 120.68 3cxh s ALA 9 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 3cxh s ALA 9 Cb 0.00 -4.02 0.23 0.00 0.00 0.00 0.00 23.12 19.33 3cxh s ALA 9 CO 0.00 -2.68 2.12 0.41 0.00 0.00 0.00 175.76 175.61 3cxh n GLY 10 N 5.37 4.40 3.18 0.00 0.00 -1.26 -4.70 105.19 112.18 3cxh n GLY 10 Ca 0.21 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.90 3cxh n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cxh s LEU 11 N -2.17 -0.61 0.02 0.99 0.20 -1.26 -2.58 118.68 113.27 3cxh s LEU 11 Ca 0.40 0.43 0.04 0.00 0.69 0.00 0.00 54.13 55.68 3cxh s LEU 11 Cb 0.30 1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 47.58 3cxh s LEU 11 CO -0.04 -0.11 -0.11 0.68 -0.29 0.00 0.00 176.35 176.48 3cxh s VAL 12 N 2.87 0.85 0.49 1.68 -7.23 -1.03 -4.97 120.40 113.06 3cxh s VAL 12 Ca 0.02 -0.71 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 3cxh s VAL 12 Cb -0.10 -0.76 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 3cxh s VAL 12 CO -0.13 0.05 1.01 -1.10 -0.31 0.00 0.00 175.10 174.63 3cxh s GLN 13 N -0.74 3.84 0.28 4.82 -0.21 -1.22 -1.82 119.66 124.61 3cxh s GLN 13 Ca 0.01 1.23 -0.30 0.00 0.02 0.00 0.00 55.36 56.33 3cxh s GLN 13 Cb -0.06 -2.11 -0.13 0.00 1.00 0.00 0.00 33.01 31.71 3cxh s GLN 13 CO 0.00 -0.38 1.31 -0.35 -2.12 0.00 0.00 175.29 173.76 3cxh n PRO 14 N -1.13 1.97 -1.00 2.91 -0.04 -1.26 -2.24 135.00 134.21 3cxh n PRO 14 Ca 0.08 0.70 -0.00 0.00 -0.04 0.00 0.00 63.50 64.24 3cxh n PRO 14 Cb 0.53 -2.29 -0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3cxh n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cxh n SER 15 N 1.52 -3.00 -4.76 3.54 2.88 -1.05 -4.93 113.62 107.81 3cxh n SER 15 Ca 0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.40 3cxh n SER 15 Cb 0.33 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.23 3cxh n SER 15 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3cxh s GLN 16 N -1.35 2.41 -0.20 -1.46 -1.52 -0.95 -4.43 119.66 112.16 3cxh s GLN 16 Ca 0.00 -1.56 -0.21 0.00 -1.95 0.00 0.00 55.36 51.63 3cxh s GLN 16 Cb 0.00 -2.20 -0.02 0.00 -0.22 0.00 0.00 33.01 30.57 3cxh s GLN 16 CO 0.00 0.05 0.66 -1.12 -0.25 0.00 0.00 175.29 174.62 3cxh s SER 17 N -3.90 6.72 -0.13 5.90 0.01 -1.26 -1.68 113.70 119.37 3cxh s SER 17 Ca 0.40 0.88 -0.25 0.00 1.31 0.00 0.00 55.95 58.28 3cxh s SER 17 Cb -0.02 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 3cxh s SER 17 CO 0.24 -0.29 0.80 -0.22 0.41 0.00 0.00 173.24 174.17 3cxh s LEU 18 N 1.96 4.23 -0.22 2.44 2.96 0.13 -4.91 118.68 125.28 3cxh s LEU 18 Ca 0.30 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.41 3cxh s LEU 18 Cb -0.16 -3.21 0.06 0.00 0.50 0.00 0.00 46.19 43.38 3cxh s LEU 18 CO 0.11 -0.30 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.39 3cxh s SER 19 N 1.05 3.41 0.16 3.68 0.01 -1.26 -0.87 113.70 119.88 3cxh s SER 19 Ca 0.39 -1.03 0.09 0.00 1.31 0.00 0.00 55.95 56.71 3cxh s SER 19 Cb -0.17 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.13 3cxh s SER 19 CO 0.15 -0.28 -0.14 -0.76 0.41 0.00 0.00 173.24 172.62 3cxh s LEU 20 N 1.63 2.82 -0.03 2.44 1.43 -0.89 -4.11 118.68 121.96 3cxh s LEU 20 Ca -0.03 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3cxh s LEU 20 Cb -0.18 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3cxh s LEU 20 CO -0.08 0.13 -0.11 0.28 0.23 0.00 0.00 176.35 176.80 3cxh s THR 21 N -1.54 0.93 -0.34 5.49 -1.32 -0.56 -0.93 115.64 117.38 3cxh s THR 21 Ca 0.22 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 3cxh s THR 21 Cb -0.09 -0.83 0.07 0.00 -1.51 0.00 0.00 72.50 70.14 3cxh s THR 21 CO 0.13 0.29 0.07 0.00 -2.21 0.00 0.00 174.62 172.90 3cxh s SER 23 N 1.42 6.55 -0.11 0.00 0.01 0.85 -2.16 113.70 120.26 3cxh s SER 23 Ca 0.00 0.62 -0.06 0.00 1.31 0.00 0.00 55.95 57.82 3cxh s SER 23 Cb -0.21 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3cxh s SER 23 CO -0.02 -0.40 0.12 -0.69 0.41 0.00 0.00 173.24 172.66 3cxh s VAL 24 N 2.53 5.33 0.01 3.43 1.01 -0.66 -1.02 120.40 131.03 3cxh s VAL 24 Ca 0.26 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3cxh s VAL 24 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3cxh s VAL 24 CO 0.09 0.61 -0.07 0.42 0.00 0.00 0.00 175.10 176.15 3cxh s THR 25 N -1.02 0.52 0.00 3.92 -4.23 -0.59 -4.80 115.64 109.44 3cxh s THR 25 Ca 0.15 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3cxh s THR 25 Cb -0.12 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.24 3cxh s THR 25 CO 0.04 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3cxh n GLY 26 N 2.52 0.73 3.64 3.99 0.00 -1.26 -1.41 105.19 113.40 3cxh n GLY 26 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 3cxh n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cxh s TYR 27 N -2.49 -0.69 0.20 1.61 5.04 -1.26 -4.58 117.35 115.18 3cxh s TYR 27 Ca 0.00 1.47 -0.30 0.00 -2.44 0.00 0.00 57.07 55.80 3cxh s TYR 27 Cb 0.00 0.41 -0.08 0.00 0.35 0.00 0.00 41.96 42.65 3cxh s TYR 27 CO 0.00 -0.34 1.02 0.45 -1.34 0.00 0.00 175.55 175.34 3cxh s SER 28 N 1.06 7.43 0.10 4.32 0.15 -1.26 -4.95 113.70 120.55 3cxh s SER 28 Ca -0.06 2.02 -0.14 0.00 0.70 0.00 0.00 55.95 58.47 3cxh s SER 28 Cb -0.04 -2.61 -0.12 0.00 -1.71 0.00 0.00 66.02 61.54 3cxh s SER 28 CO -0.13 -0.06 1.35 0.40 1.20 0.00 0.00 173.24 176.00 3cxh h ILE 29 N 3.51 1.30 -0.05 6.45 1.08 -1.94 -3.33 117.51 124.52 3cxh h ILE 29 Ca -0.45 -1.76 -0.23 0.00 -0.39 0.00 0.00 64.86 62.03 3cxh h ILE 29 Cb 1.21 1.82 0.02 0.00 -3.07 0.00 0.00 36.82 36.79 3cxh h ILE 29 CO 0.70 0.56 -0.87 0.00 -0.69 0.00 0.00 178.15 177.85 3cxh h THR 30 N 0.50 1.30 -2.53 -0.27 1.03 -1.90 -3.36 112.91 107.68 3cxh h THR 30 Ca -0.01 -2.11 -0.80 0.00 -0.01 0.00 0.00 66.41 63.49 3cxh h THR 30 Cb 1.17 2.28 -0.25 0.00 -1.07 0.00 0.00 68.15 70.28 3cxh h THR 30 CO 0.12 0.65 1.10 -1.20 -0.01 0.00 0.00 175.52 176.18 3cxh n SER 31 N -3.96 6.08 0.00 0.00 7.64 -1.25 -4.33 113.62 117.80 3cxh n SER 31 Ca -0.10 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.45 3cxh n SER 31 Cb 0.79 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 3cxh n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cxh n GLY 32 N 1.72 2.09 0.00 0.23 0.00 -1.25 -4.60 105.19 103.38 3cxh n GLY 32 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3cxh n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cxh n TYR 33 N 0.00 0.00 -4.43 1.61 4.01 -1.26 -4.69 117.16 112.40 3cxh n TYR 33 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3cxh n TYR 33 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 3cxh n TYR 33 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3cxh s TYR 34 N 4.03 2.95 -0.41 -0.72 2.02 -1.12 -1.52 117.35 122.58 3cxh s TYR 34 Ca 0.00 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.13 3cxh s TYR 34 Cb 0.00 -1.95 0.08 0.00 -0.40 0.00 0.00 41.96 39.69 3cxh s TYR 34 CO 0.00 -0.17 0.23 -1.58 -1.57 0.00 0.00 175.55 172.46 3cxh s TRP 35 N 0.55 3.37 0.42 2.71 0.52 -0.61 -0.98 118.94 124.92 3cxh s TRP 35 Ca -0.05 -1.68 0.03 0.00 0.02 0.00 0.00 56.10 54.43 3cxh s TRP 35 Cb -0.15 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 3cxh s TRP 35 CO 0.03 -0.86 0.60 -0.80 0.02 0.00 0.00 176.95 175.94 3cxh s ASN 36 N 2.00 5.80 -0.03 2.95 0.01 0.15 -1.77 114.94 124.07 3cxh s ASN 36 Ca 0.03 0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.21 3cxh s ASN 36 Cb -0.23 -1.27 0.01 0.00 0.41 0.00 0.00 41.25 40.17 3cxh s ASN 36 CO 0.01 -0.66 -0.05 0.26 -1.51 0.00 0.00 177.10 175.15 3cxh s TRP 37 N -2.42 0.65 -0.10 2.20 0.52 -0.24 -0.95 118.94 118.59 3cxh s TRP 37 Ca 0.49 -0.15 -0.14 0.00 0.02 0.00 0.00 56.10 56.32 3cxh s TRP 37 Cb -0.10 -0.52 0.03 0.00 -1.15 0.00 0.00 33.47 31.74 3cxh s TRP 37 CO 0.35 -0.10 0.37 -1.50 0.02 0.00 0.00 176.95 176.08 3cxh s ILE 38 N 0.43 0.02 0.08 2.03 2.07 0.40 -1.17 121.20 125.05 3cxh s ILE 38 Ca -0.05 -0.13 0.07 0.00 -1.41 0.00 0.00 60.65 59.13 3cxh s ILE 38 Cb -0.09 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 3cxh s ILE 38 CO -0.00 -0.07 -0.14 0.00 -1.91 0.00 0.00 174.94 172.82 3cxh s ARG 39 N -0.25 2.07 -0.27 3.50 3.03 -0.73 0.53 118.95 126.84 3cxh s ARG 39 Ca -0.04 -1.02 0.02 0.00 2.03 0.00 0.00 55.73 56.72 3cxh s ARG 39 Cb -0.03 -2.25 0.06 0.00 -1.03 0.00 0.00 34.95 31.70 3cxh s ARG 39 CO 0.02 0.52 -0.08 -1.17 -1.13 0.00 0.00 175.30 173.45 3cxh s LEU 40 N -1.90 3.56 0.72 -1.89 2.96 0.30 -1.41 118.68 121.03 3cxh s LEU 40 Ca 0.18 -1.38 -0.13 0.00 -0.22 0.00 0.00 54.13 52.58 3cxh s LEU 40 Cb -0.11 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.03 3cxh s LEU 40 CO 0.10 -0.21 1.11 -0.36 -1.32 0.00 0.00 176.35 175.67 3cxh s PHE 41 N 1.13 2.49 0.44 5.38 0.40 -1.25 -1.73 117.98 124.84 3cxh s PHE 41 Ca -0.08 1.57 0.22 0.00 -0.60 0.00 0.00 56.93 58.04 3cxh s PHE 41 Cb -0.20 -3.16 1.20 0.00 0.51 0.00 0.00 43.02 41.37 3cxh s PHE 41 CO -0.04 -1.88 1.83 -1.00 0.70 0.00 0.00 175.22 174.83 3cxh h PRO 42 N -0.56 0.29 -0.86 0.24 0.13 -1.96 0.20 132.00 129.49 3cxh h PRO 42 Ca -0.45 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3cxh h PRO 42 Cb 1.25 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3cxh h PRO 42 CO 0.52 0.19 0.08 0.41 -0.23 0.00 0.00 178.00 178.97 3cxh n GLY 43 N -1.56 2.46 3.05 1.56 0.00 -1.26 -4.95 105.19 104.49 3cxh n GLY 43 Ca 0.22 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 3cxh n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cxh n ASN 44 N 0.14 -7.12 -3.24 1.61 5.03 0.06 -5.04 115.26 106.70 3cxh n ASN 44 Ca 0.17 0.49 -0.03 0.00 0.87 0.00 0.00 54.58 56.08 3cxh n ASN 44 Cb 0.79 -3.86 -0.03 0.00 -1.02 0.00 0.00 39.78 35.66 3cxh n ASN 44 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 3cxh s LYS 45 N -2.18 0.77 0.38 3.52 -2.85 -1.26 -4.98 119.74 113.15 3cxh s LYS 45 Ca 0.21 -0.39 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 3cxh s LYS 45 Cb -0.04 -0.09 -0.11 0.00 -2.06 0.00 0.00 37.83 35.53 3cxh s LYS 45 CO 0.71 -1.19 1.38 1.28 0.10 0.00 0.00 175.35 177.63 3cxh n LEU 46 N 4.40 4.28 -3.80 2.77 4.77 -1.26 -3.91 117.00 124.25 3cxh n LEU 46 Ca 0.11 1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 57.10 3cxh n LEU 46 Cb 0.54 -1.55 -0.17 0.00 -2.33 0.00 0.00 43.42 39.91 3cxh n LEU 46 CO 0.03 -0.23 -0.37 -0.70 -1.33 0.00 0.00 177.39 174.79 3cxh s GLU 47 N -2.08 0.30 -0.11 3.23 2.12 -0.50 -5.02 118.70 116.63 3cxh s GLU 47 Ca 0.56 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.71 3cxh s GLU 47 Cb -0.51 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.31 3cxh s GLU 47 CO 0.62 -0.18 1.17 -0.46 -0.54 0.00 0.00 175.26 175.87 3cxh s TRP 48 N 1.28 3.15 -0.14 5.30 -0.00 -1.26 -1.77 118.94 125.49 3cxh s TRP 48 Ca -0.06 1.23 -0.11 0.00 -0.00 0.00 0.00 56.10 57.16 3cxh s TRP 48 Cb -0.13 -3.40 -0.08 0.00 -0.00 0.00 0.00 33.47 29.86 3cxh s TRP 48 CO -0.02 -1.19 0.06 0.28 -0.00 0.00 0.00 176.95 176.08 3cxh h VAL 49 N 5.22 0.39 0.00 5.86 2.07 -1.51 -3.44 116.25 124.84 3cxh h VAL 49 Ca -0.30 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3cxh h VAL 49 Cb 1.13 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3cxh h VAL 49 CO 0.92 0.13 0.00 0.61 0.02 0.00 0.00 177.57 179.25 3cxh n GLY 50 N 1.63 -1.48 3.70 2.17 0.00 -1.05 -2.02 105.19 108.13 3cxh n GLY 50 Ca -0.10 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3cxh n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cxh s TYR 51 N -2.82 0.44 -0.03 1.61 -0.00 -1.07 -1.08 117.35 114.39 3cxh s TYR 51 Ca 0.00 -0.95 -0.01 0.00 -0.00 0.00 0.00 57.07 56.12 3cxh s TYR 51 Cb 0.00 0.51 0.03 0.00 -0.00 0.00 0.00 41.96 42.50 3cxh s TYR 51 CO 0.00 -1.40 0.04 -1.50 -0.00 0.00 0.00 175.55 172.69 3cxh s ILE 52 N -2.66 -0.03 0.85 -3.49 2.07 -0.73 -2.96 121.20 114.25 3cxh s ILE 52 Ca 0.21 0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 59.58 3cxh s ILE 52 Cb -0.03 -0.16 0.21 0.00 0.13 0.00 0.00 42.46 42.61 3cxh s ILE 52 CO 0.14 0.14 0.83 -1.54 -1.91 0.00 0.00 174.94 172.60 3cxh n SER 53 N 4.67 -1.39 0.10 4.50 3.41 -0.10 -1.57 113.62 123.25 3cxh n SER 53 Ca -0.17 -1.06 -0.04 0.00 -0.26 0.00 0.00 58.87 57.34 3cxh n SER 53 Cb 0.50 -0.73 0.13 0.00 -0.26 0.00 0.00 64.21 63.85 3cxh n SER 53 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3cxh h ASN 54 N -2.04 0.16 0.66 4.04 7.08 -1.42 -2.97 115.58 121.09 3cxh h ASN 54 Ca -0.30 -0.10 -0.19 0.00 -3.08 0.00 0.00 56.30 52.63 3cxh h ASN 54 Cb 0.90 -0.05 -0.02 0.00 -2.08 0.00 0.00 38.32 37.08 3cxh h ASN 54 CO 0.20 0.75 -0.86 0.58 -2.08 0.00 0.00 177.43 176.02 3cxh h VAL 55 N 0.10 1.52 0.00 6.14 2.07 -1.85 -3.37 116.25 120.87 3cxh h VAL 55 Ca -0.01 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.83 3cxh h VAL 55 Cb 1.14 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3cxh h VAL 55 CO 0.09 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.07 3cxh n GLY 56 N 0.87 1.63 3.76 2.17 0.00 -1.12 -5.11 105.19 107.39 3cxh n GLY 56 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3cxh n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cxh s ASP 57 N -2.00 7.12 0.05 1.61 -0.00 -1.26 -4.74 116.67 117.45 3cxh s ASP 57 Ca 0.00 1.33 -0.03 0.00 -0.00 0.00 0.00 52.55 53.85 3cxh s ASP 57 Cb 0.00 -2.42 -0.05 0.00 -0.00 0.00 0.00 42.92 40.46 3cxh s ASP 57 CO 0.00 0.09 0.26 0.20 -0.00 0.00 0.00 175.17 175.72 3cxh s ASN 58 N -0.30 6.43 -0.34 0.27 -0.87 -1.26 -0.92 114.94 117.94 3cxh s ASN 58 Ca 0.34 0.43 0.01 0.00 -1.57 0.00 0.00 52.86 52.08 3cxh s ASN 58 Cb -0.20 -2.03 0.15 0.00 -0.02 0.00 0.00 41.25 39.15 3cxh s ASN 58 CO 0.21 0.19 0.32 0.21 -2.57 0.00 0.00 177.10 175.45 3cxh s ASN 59 N -2.16 1.64 0.48 -1.22 3.84 -1.16 -5.02 114.94 111.34 3cxh s ASN 59 Ca 0.33 -1.44 -0.00 0.00 0.21 0.00 0.00 52.86 51.95 3cxh s ASN 59 Cb -0.13 0.38 0.01 0.00 -0.55 0.00 0.00 41.25 40.96 3cxh s ASN 59 CO 0.22 -0.31 0.71 -0.31 -2.79 0.00 0.00 177.10 174.63 3cxh s TYR 60 N 1.64 3.15 0.10 0.43 2.02 -1.26 -2.59 117.35 120.84 3cxh s TYR 60 Ca 0.15 0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 3cxh s TYR 60 Cb -0.16 -2.44 -0.06 0.00 -0.40 0.00 0.00 41.96 38.90 3cxh s TYR 60 CO -0.12 -0.51 0.91 1.21 -1.57 0.00 0.00 175.55 175.48 3cxh s ASN 61 N -4.27 7.43 0.00 2.29 3.04 -0.86 -4.92 114.94 117.65 3cxh s ASN 61 Ca 0.51 1.71 0.05 0.00 0.04 0.00 0.00 52.86 55.16 3cxh s ASN 61 Cb -0.10 -2.56 0.21 0.00 -1.54 0.00 0.00 41.25 37.26 3cxh s ASN 61 CO 0.39 -0.04 1.13 -0.81 -3.04 0.00 0.00 177.10 174.72 3cxh n PRO 62 N 2.78 0.01 0.12 0.43 -0.04 -1.26 -0.96 135.00 136.07 3cxh n PRO 62 Ca 0.01 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 3cxh n PRO 62 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.76 3cxh n PRO 62 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3cxh h SER 63 N 0.00 0.00 0.00 3.54 0.87 -1.96 -3.37 113.55 112.64 3cxh h SER 63 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3cxh h SER 63 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3cxh h SER 63 CO 0.00 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.50 3cxh n LEU 64 N -2.41 0.01 -0.17 2.23 4.77 -0.68 -4.92 117.00 115.84 3cxh n LEU 64 Ca 0.05 -0.16 0.15 0.00 -0.03 0.00 0.00 56.01 56.02 3cxh n LEU 64 Cb 0.46 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.82 3cxh n LEU 64 CO 0.32 0.00 0.49 2.29 -1.33 0.00 0.00 177.39 179.16 3cxh n LYS 65 N -0.32 -0.02 0.13 3.23 2.85 -0.14 0.67 118.16 124.56 3cxh n LYS 65 Ca 0.00 0.58 0.01 0.00 -1.05 0.00 0.00 58.31 57.85 3cxh n LYS 65 Cb 0.00 -1.08 0.02 0.00 -0.65 0.00 0.00 35.03 33.33 3cxh n LYS 65 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 3cxh h ASP 66 N 0.00 0.00 0.00 -5.58 2.03 -1.89 -3.40 116.42 107.58 3cxh h ASP 66 Ca 0.37 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.33 3cxh h ASP 66 Cb 1.08 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.53 3cxh h ASP 66 CO -0.28 0.58 -2.05 0.54 -1.03 0.00 0.00 179.24 177.00 3cxh n ARG 67 N -3.27 0.57 -2.20 4.15 1.74 0.21 -5.01 116.66 112.84 3cxh n ARG 67 Ca 0.01 0.30 -0.36 0.00 -0.77 0.00 0.00 57.85 57.03 3cxh n ARG 67 Cb 0.76 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3cxh n ARG 67 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3cxh s LEU 68 N -7.65 3.82 -0.30 0.55 0.05 -1.04 -3.41 118.68 110.71 3cxh s LEU 68 Ca -0.35 2.27 -0.01 0.00 0.05 0.00 0.00 54.13 56.09 3cxh s LEU 68 Cb 0.11 -4.46 0.13 0.00 -2.05 0.00 0.00 46.19 39.92 3cxh s LEU 68 CO 0.48 -1.19 0.26 -0.55 -0.55 0.00 0.00 176.35 174.80 3cxh s SER 69 N -1.58 2.12 -0.40 1.48 0.15 -0.47 -4.91 113.70 110.08 3cxh s SER 69 Ca 0.71 -0.98 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 3cxh s SER 69 Cb -0.27 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3cxh s SER 69 CO 0.31 -0.39 0.60 -0.63 1.20 0.00 0.00 173.24 174.33 3cxh s ILE 70 N 2.20 4.89 0.07 6.45 1.01 -1.26 -2.93 121.20 131.63 3cxh s ILE 70 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3cxh s ILE 70 Cb -0.15 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3cxh s ILE 70 CO -0.31 -0.46 0.02 0.35 0.00 0.00 0.00 174.94 174.54 3cxh n THR 71 N 5.69 0.00 -3.62 2.92 -2.24 -1.13 -4.88 114.28 111.01 3cxh n THR 71 Ca -0.03 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3cxh n THR 71 Cb 0.48 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 3cxh n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cxh s ARG 72 N -2.25 1.32 -0.45 -0.78 1.70 -1.26 -0.01 118.95 117.23 3cxh s ARG 72 Ca 0.01 -0.62 0.03 0.00 -0.47 0.00 0.00 55.73 54.68 3cxh s ARG 72 Cb -0.00 0.52 0.13 0.00 -0.57 0.00 0.00 34.95 35.03 3cxh s ARG 72 CO 0.01 -0.59 0.23 0.34 -1.08 0.00 0.00 175.30 174.20 3cxh s ASP 73 N -2.78 3.95 0.31 -2.89 3.68 0.06 -4.96 116.67 114.03 3cxh s ASP 73 Ca 0.07 -2.66 0.07 0.00 2.13 0.00 0.00 52.55 52.16 3cxh s ASP 73 Cb -0.02 -1.25 0.84 0.00 -1.45 0.00 0.00 42.92 41.04 3cxh s ASP 73 CO -0.04 -0.27 1.68 0.74 0.13 0.00 0.00 175.17 177.41 3cxh h THR 74 N 5.48 0.39 0.00 1.71 2.02 -1.98 0.22 112.91 120.75 3cxh h THR 74 Ca -0.04 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3cxh h THR 74 Cb 0.93 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3cxh h THR 74 CO 0.55 0.06 -0.19 -1.28 0.37 0.00 0.00 175.52 175.03 3cxh h SER 75 N 0.35 0.00 -0.01 4.18 0.87 -1.96 -2.99 113.55 113.99 3cxh h SER 75 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 3cxh h SER 75 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3cxh h SER 75 CO -0.58 0.19 -0.58 0.29 -0.53 0.00 0.00 176.83 175.62 3cxh n LYS 76 N -4.04 1.64 -3.37 2.24 5.02 0.51 -5.02 118.16 115.14 3cxh n LYS 76 Ca -0.02 -0.38 -0.19 0.00 -2.02 0.00 0.00 58.31 55.70 3cxh n LYS 76 Cb 0.27 -1.28 0.06 0.00 -0.02 0.00 0.00 35.03 34.05 3cxh n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3cxh n ASN 77 N -0.80 -6.35 -3.64 4.39 4.05 0.20 -4.81 115.26 108.30 3cxh n ASN 77 Ca 0.05 -0.75 -0.09 0.00 0.45 0.00 0.00 54.58 54.24 3cxh n ASN 77 Cb 0.30 -4.64 -0.07 0.00 1.23 0.00 0.00 39.78 36.60 3cxh n ASN 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cxh s GLN 78 N -4.74 0.74 0.11 1.20 -2.07 -1.22 -1.65 119.66 112.02 3cxh s GLN 78 Ca 0.42 1.13 0.04 0.00 -1.82 0.00 0.00 55.36 55.13 3cxh s GLN 78 Cb -0.09 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 3cxh s GLN 78 CO 0.78 -0.13 0.08 -0.59 -1.32 0.00 0.00 175.29 174.10 3cxh s PHE 79 N 1.18 3.13 0.34 9.60 -0.12 -0.92 -0.77 117.98 130.43 3cxh s PHE 79 Ca -0.06 0.03 0.09 0.00 -0.05 0.00 0.00 56.93 56.93 3cxh s PHE 79 Cb -0.05 -1.57 -0.05 0.00 -0.63 0.00 0.00 43.02 40.72 3cxh s PHE 79 CO -0.13 0.51 0.05 -0.06 -0.05 0.00 0.00 175.22 175.54 3cxh s PHE 80 N -1.48 2.59 -0.00 3.49 0.40 0.99 -1.26 117.98 122.70 3cxh s PHE 80 Ca 0.29 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3cxh s PHE 80 Cb -0.11 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 3cxh s PHE 80 CO 0.22 0.44 -0.17 -1.17 0.70 0.00 0.00 175.22 175.24 3cxh s LEU 81 N -3.75 2.06 -0.29 -0.37 2.96 -0.10 -2.85 118.68 116.33 3cxh s LEU 81 Ca 0.36 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3cxh s LEU 81 Cb -0.01 -0.86 0.14 0.00 0.50 0.00 0.00 46.19 45.97 3cxh s LEU 81 CO 0.20 0.19 0.32 -0.75 -1.32 0.00 0.00 176.35 174.99 3cxh s LYS 82 N -0.54 0.35 -0.42 1.98 2.20 -1.15 -2.10 119.74 120.07 3cxh s LYS 82 Ca 0.06 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.40 3cxh s LYS 82 Cb -0.07 -0.60 0.03 0.00 -1.51 0.00 0.00 37.83 35.69 3cxh s LYS 82 CO -0.00 -1.04 0.31 -1.17 -0.36 0.00 0.00 175.35 173.09 3cxh s LEU 83 N 2.35 5.17 0.56 5.43 2.96 -0.05 -1.37 118.68 133.74 3cxh s LEU 83 Ca 0.10 -1.01 -0.16 0.00 -0.22 0.00 0.00 54.13 52.84 3cxh s LEU 83 Cb -0.14 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 3cxh s LEU 83 CO -0.31 -0.48 1.02 0.20 -1.32 0.00 0.00 176.35 175.45 3cxh s ASN 84 N 1.86 6.26 -0.76 3.68 0.01 -1.22 0.22 114.94 124.98 3cxh s ASN 84 Ca 0.04 1.64 -0.04 0.00 -0.71 0.00 0.00 52.86 53.80 3cxh s ASN 84 Cb -0.20 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 38.95 3cxh s ASN 84 CO 0.09 -0.84 0.53 -1.54 -1.51 0.00 0.00 177.10 173.83 3cxh n SER 85 N -1.88 -4.07 -3.85 -1.22 3.41 -1.09 -4.90 113.62 100.02 3cxh n SER 85 Ca 0.07 -0.89 -0.30 0.00 -0.26 0.00 0.00 58.87 57.49 3cxh n SER 85 Cb 0.54 -1.38 0.25 0.00 -0.26 0.00 0.00 64.21 63.36 3cxh n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3cxh s VAL 86 N -2.97 1.55 0.19 -3.33 -7.23 -0.67 -4.63 120.40 103.31 3cxh s VAL 86 Ca 0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.09 3cxh s VAL 86 Cb -0.03 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.64 3cxh s VAL 86 CO 0.79 0.00 0.42 -0.89 -0.31 0.00 0.00 175.10 175.11 3cxh s THR 87 N -2.67 0.04 -0.98 5.32 2.01 -1.26 -2.54 115.64 115.56 3cxh s THR 87 Ca 0.69 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 61.64 3cxh s THR 87 Cb -0.14 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.66 3cxh s THR 87 CO 0.58 -0.19 1.11 0.35 -0.69 0.00 0.00 174.62 175.79 3cxh n THR 88 N -0.29 1.77 1.26 -0.82 -2.24 -1.26 -0.88 114.28 111.81 3cxh n THR 88 Ca -0.08 0.45 0.06 0.00 -2.27 0.00 0.00 64.05 62.21 3cxh n THR 88 Cb 0.63 -1.40 0.20 0.00 -2.10 0.00 0.00 70.33 67.65 3cxh n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cxh n GLU 89 N -1.52 1.57 -0.00 -0.78 1.02 -1.26 -3.19 120.64 116.48 3cxh n GLU 89 Ca 0.01 -0.88 0.03 0.00 -0.02 0.00 0.00 57.16 56.29 3cxh n GLU 89 Cb 0.04 -1.24 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 3cxh n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cxh n ASP 90 N 0.18 1.45 -4.65 1.62 10.43 -0.06 -4.99 116.55 120.53 3cxh n ASP 90 Ca 0.10 -1.23 -0.43 0.00 2.57 0.00 0.00 54.79 55.80 3cxh n ASP 90 Cb 0.22 -0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.16 3cxh n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3cxh s THR 91 N -0.43 4.02 -0.05 -3.53 2.01 -1.19 -4.87 115.64 111.58 3cxh s THR 91 Ca 0.06 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 3cxh s THR 91 Cb 0.04 -3.89 0.11 0.00 0.01 0.00 0.00 72.50 68.78 3cxh s THR 91 CO 0.06 -0.23 1.34 0.00 -0.69 0.00 0.00 174.62 175.10 3cxh s ALA 92 N 4.13 -2.52 -0.28 7.40 0.00 -0.84 -4.43 121.76 125.22 3cxh s ALA 92 Ca 0.61 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 3cxh s ALA 92 Cb -0.23 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3cxh s ALA 92 CO 0.22 -1.12 0.48 0.95 0.00 0.00 0.00 175.76 176.29 3cxh s THR 93 N -2.09 5.08 -0.03 0.00 -4.23 -0.71 -1.49 115.64 112.18 3cxh s THR 93 Ca 0.25 0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 61.30 3cxh s THR 93 Cb 0.02 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 3cxh s THR 93 CO -0.03 0.05 0.50 -0.31 -0.54 0.00 0.00 174.62 174.28 3cxh s TYR 94 N 2.27 3.66 -0.03 3.99 1.51 0.52 -0.54 117.35 128.74 3cxh s TYR 94 Ca 0.19 1.05 0.05 0.00 -1.01 0.00 0.00 57.07 57.36 3cxh s TYR 94 Cb -0.16 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 3cxh s TYR 94 CO 0.10 0.42 -0.20 0.71 -1.11 0.00 0.00 175.55 175.47 3cxh s TYR 95 N -0.34 1.85 -0.02 2.71 2.02 0.19 -0.82 117.35 122.93 3cxh s TYR 95 Ca 0.27 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3cxh s TYR 95 Cb -0.17 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3cxh s TYR 95 CO 0.14 -0.11 0.04 0.00 -1.57 0.00 0.00 175.55 174.05 3cxh s ALA 97 N -1.10 -1.72 -0.00 0.00 0.00 -0.12 -0.13 121.76 118.67 3cxh s ALA 97 Ca 0.20 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 3cxh s ALA 97 Cb -0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3cxh s ALA 97 CO 0.10 -0.36 0.36 0.50 0.00 0.00 0.00 175.76 176.36 3cxh s ARG 98 N -1.15 3.81 -0.09 0.00 3.52 -0.02 0.34 118.95 125.36 3cxh s ARG 98 Ca -0.11 0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3cxh s ARG 98 Cb -0.00 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3cxh s ARG 98 CO 0.09 0.68 -0.18 -1.54 -0.81 0.00 0.00 175.30 173.55 3cxh s SER 99 N -1.20 2.43 0.74 -2.12 1.04 -0.15 -1.88 113.70 112.56 3cxh s SER 99 Ca 0.24 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 3cxh s SER 99 Cb -0.15 -1.11 0.05 0.00 0.10 0.00 0.00 66.02 64.91 3cxh s SER 99 CO 0.13 0.08 1.09 -1.61 0.98 0.00 0.00 173.24 173.91 3cxh s GLU 100 N 0.58 2.30 -0.13 4.02 2.02 -0.09 -2.79 118.70 124.62 3cxh s GLU 100 Ca -0.15 0.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.86 3cxh s GLU 100 Cb -0.17 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.07 3cxh s GLU 100 CO 0.05 -1.30 0.25 -0.47 0.02 0.00 0.00 175.26 173.81 3cxh s TYR 101 N -3.39 -0.39 -0.08 1.61 6.14 -1.26 -2.18 117.35 117.80 3cxh s TYR 101 Ca 0.60 0.89 0.04 0.00 0.64 0.00 0.00 57.07 59.24 3cxh s TYR 101 Cb -0.11 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.20 3cxh s TYR 101 CO 0.48 -0.36 -0.19 0.71 0.64 0.00 0.00 175.55 176.83 3cxh s TYR 102 N 2.40 2.03 0.60 4.97 2.02 -0.84 -4.99 117.35 123.54 3cxh s TYR 102 Ca 0.02 -0.75 0.28 0.00 -0.37 0.00 0.00 57.07 56.25 3cxh s TYR 102 Cb -0.12 -1.39 1.31 0.00 -0.40 0.00 0.00 41.96 41.36 3cxh s TYR 102 CO -0.08 -0.31 1.71 0.66 -1.57 0.00 0.00 175.55 175.95 3cxh h SER 103 N 6.68 0.00 0.01 2.29 4.64 -2.01 0.35 113.55 125.52 3cxh h SER 103 Ca -0.26 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.66 3cxh h SER 103 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 3cxh h SER 103 CO 0.47 0.00 -2.24 0.52 -0.87 0.00 0.00 176.83 174.71 3cxh n VAL 104 N -3.52 1.55 0.91 0.95 0.31 -1.26 -4.51 118.33 112.76 3cxh n VAL 104 Ca 0.13 -0.40 0.11 0.00 -0.01 0.00 0.00 64.34 64.17 3cxh n VAL 104 Cb 0.94 -1.78 0.31 0.00 -0.91 0.00 0.00 33.84 32.40 3cxh n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cxh n THR 105 N -3.95 0.30 -4.89 2.52 -2.24 -1.03 -5.05 114.28 99.94 3cxh n THR 105 Ca -0.46 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3cxh n THR 105 Cb 0.89 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3cxh n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cxh n GLY 106 N 1.26 1.64 3.89 3.38 0.00 0.12 -4.80 105.19 110.68 3cxh n GLY 106 Ca 0.17 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3cxh n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cxh s TYR 107 N 0.00 3.46 -0.30 1.61 1.51 -1.26 -1.98 117.35 120.39 3cxh s TYR 107 Ca 0.00 0.85 -0.08 0.00 -1.01 0.00 0.00 57.07 56.83 3cxh s TYR 107 Cb 0.00 -2.28 0.17 0.00 -0.11 0.00 0.00 41.96 39.74 3cxh s TYR 107 CO 0.00 0.07 0.79 0.00 -1.11 0.00 0.00 175.55 175.29 3cxh s ALA 108 N -2.17 -2.55 -0.70 3.71 0.00 -0.93 -4.94 121.76 114.19 3cxh s ALA 108 Ca 0.48 1.92 -0.27 0.00 0.00 0.00 0.00 51.96 54.08 3cxh s ALA 108 Cb -0.11 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3cxh s ALA 108 CO 0.29 -1.19 1.40 -1.64 0.00 0.00 0.00 175.76 174.62 3cxh s MET 109 N 2.80 3.10 0.03 0.00 -1.94 -1.26 -0.91 119.30 121.13 3cxh s MET 109 Ca 0.06 -0.02 0.17 0.00 -1.71 0.00 0.00 55.69 54.18 3cxh s MET 109 Cb -0.11 -4.21 -0.16 0.00 2.01 0.00 0.00 34.83 32.36 3cxh s MET 109 CO -0.18 -2.24 0.74 -0.40 -0.01 0.00 0.00 175.02 172.93 3cxh n ASP 110 N 10.02 0.73 -4.08 3.03 5.75 -0.79 -4.87 116.55 126.34 3cxh n ASP 110 Ca 0.07 0.32 -0.30 0.00 -0.01 0.00 0.00 54.79 54.87 3cxh n ASP 110 Cb 0.50 0.35 -0.17 0.00 -1.03 0.00 0.00 41.12 40.77 3cxh n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cxh s TYR 111 N -2.93 2.25 0.08 2.11 1.51 -1.23 -5.02 117.35 114.12 3cxh s TYR 111 Ca -0.04 -1.15 0.09 0.00 -1.01 0.00 0.00 57.07 54.97 3cxh s TYR 111 Cb 0.09 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3cxh s TYR 111 CO 0.82 -0.58 -0.25 -1.58 -1.11 0.00 0.00 175.55 172.85 3cxh s TRP 112 N 1.07 2.18 0.80 2.71 0.52 -1.26 -0.84 118.94 124.12 3cxh s TRP 112 Ca -0.03 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.57 3cxh s TRP 112 Cb -0.14 -1.25 0.07 0.00 -1.15 0.00 0.00 33.47 31.00 3cxh s TRP 112 CO -0.04 0.20 1.11 0.20 0.02 0.00 0.00 176.95 178.43 3cxh s GLY 113 N -1.56 1.62 0.40 0.98 0.00 0.81 -4.67 107.32 104.89 3cxh s GLY 113 Ca 0.11 -0.28 0.15 0.00 0.00 0.00 0.00 44.72 44.70 3cxh s GLY 113 CO 0.03 0.16 1.87 0.06 0.00 0.00 0.00 173.10 175.22 3cxh h GLN 114 N -1.09 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 111.59 3cxh h GLN 114 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 3cxh h GLN 114 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3cxh h GLN 114 CO 0.60 0.32 0.00 0.41 -0.00 0.00 0.00 178.83 180.17 3cxh n GLY 115 N -0.52 2.79 2.73 0.06 0.00 -1.26 -5.05 105.19 103.95 3cxh n GLY 115 Ca -0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 3cxh n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cxh s THR 116 N -2.00 0.37 -0.12 2.61 -1.32 -0.00 -4.95 115.64 110.23 3cxh s THR 116 Ca 0.00 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 3cxh s THR 116 Cb 0.00 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.21 3cxh s THR 116 CO 0.00 -0.03 1.18 -0.89 -2.21 0.00 0.00 174.62 172.67 3cxh s THR 117 N 1.95 4.37 -0.10 5.08 2.01 -1.26 -0.35 115.64 127.34 3cxh s THR 117 Ca 0.02 1.67 0.03 0.00 0.31 0.00 0.00 61.69 63.72 3cxh s THR 117 Cb -0.15 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3cxh s THR 117 CO -0.07 -0.06 -0.20 0.68 -0.69 0.00 0.00 174.62 174.27 3cxh s VAL 118 N 2.72 1.79 -0.17 3.82 -7.23 -0.56 -4.40 120.40 116.36 3cxh s VAL 118 Ca 0.53 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 3cxh s VAL 118 Cb -0.22 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.16 3cxh s VAL 118 CO 0.17 0.50 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.41 3cxh s THR 119 N 0.51 2.46 -0.72 5.32 2.01 -1.06 -1.98 115.64 122.18 3cxh s THR 119 Ca -0.16 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 3cxh s THR 119 Cb -0.17 -2.04 0.06 0.00 0.01 0.00 0.00 72.50 70.36 3cxh s THR 119 CO 0.06 0.51 1.10 -0.69 -0.69 0.00 0.00 174.62 174.91 3cxh s VAL 120 N 1.12 4.14 0.11 3.82 1.01 -1.26 -2.47 120.40 126.86 3cxh s VAL 120 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3cxh s VAL 120 Cb -0.14 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 3cxh s VAL 120 CO -0.06 -1.61 -0.08 -0.55 0.00 0.00 0.00 175.10 172.79 3cxh s SER 121 N 3.77 1.33 0.00 3.32 0.15 -0.76 -4.66 113.70 116.85 3cxh s SER 121 Ca 0.28 -0.94 0.28 0.00 0.70 0.00 0.00 55.95 56.27 3cxh s SER 121 Cb -0.12 0.05 1.09 0.00 -1.71 0.00 0.00 66.02 65.33 3cxh s SER 121 CO 0.09 -0.38 1.78 -0.24 1.20 0.00 0.00 173.24 175.69 3cxh n SER 122 N 0.13 0.57 -4.76 5.45 2.88 -1.26 -3.38 113.62 113.25 3cxh n SER 122 Ca -0.13 -0.57 -0.36 0.00 -1.33 0.00 0.00 58.87 56.47 3cxh n SER 122 Cb 0.60 -0.03 0.02 0.00 -0.75 0.00 0.00 64.21 64.05 3cxh n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxh s ALA 123 N -2.53 2.67 0.02 -1.46 0.00 -1.26 -5.02 121.76 114.19 3cxh s ALA 123 Ca 0.26 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 3cxh s ALA 123 Cb 0.20 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 3cxh s ALA 123 CO 0.50 -1.07 0.38 -0.46 0.00 0.00 0.00 175.76 175.11 3cxh s TRP 124 N -1.55 3.66 0.00 0.00 -0.00 -1.26 -4.92 118.94 114.87 3cxh s TRP 124 Ca 0.74 0.88 0.01 0.00 -0.00 0.00 0.00 56.10 57.73 3cxh s TRP 124 Cb -0.31 -2.21 -0.01 0.00 -0.00 0.00 0.00 33.47 30.94 3cxh s TRP 124 CO 0.35 0.60 -0.04 0.50 -0.00 0.00 0.00 176.95 178.36 3cxh s ARG 125 N -1.40 0.31 -0.31 5.86 3.52 -1.26 -5.10 118.95 120.57 3cxh s ARG 125 Ca 0.27 -0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.37 3cxh s ARG 125 Cb -0.15 -0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 32.92 3cxh s ARG 125 CO 0.14 0.07 2.28 1.58 -0.81 0.00 0.00 175.30 178.56 3cxh n HIS 126 N 2.76 1.77 0.65 5.12 -0.00 -1.26 -5.23 115.22 119.04 3cxh n HIS 126 Ca -0.14 -0.02 0.05 0.00 -0.00 0.00 0.00 57.72 57.61 3cxh n HIS 126 Cb 0.58 -2.68 0.31 0.00 -0.00 0.00 0.00 29.99 28.20 3cxh n HIS 126 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99