#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b n SER 2 N 0.00 0.17 -4.10 1.61 7.64 -1.26 -5.12 113.62 112.56 1x3b n SER 2 Ca 0.00 0.35 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 1x3b n SER 2 Cb 0.00 0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 63.26 1x3b n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x3b s SER 3 N -5.25 1.10 0.00 6.43 1.04 -1.26 -5.13 113.70 110.63 1x3b s SER 3 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x3b s SER 3 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1x3b s SER 3 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x3b n GLY 4 N 1.38 2.98 3.04 7.32 0.00 -1.26 -5.09 105.19 113.56 1x3b n GLY 4 Ca -0.22 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1x3b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3b s SER 5 N 2.00 5.52 0.08 1.61 0.15 -1.26 -4.64 113.70 117.16 1x3b s SER 5 Ca 0.00 -3.62 0.00 0.00 0.70 0.00 0.00 55.95 53.03 1x3b s SER 5 Cb 0.00 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1x3b s SER 5 CO 0.00 -0.18 0.00 -1.20 1.20 0.00 0.00 173.24 173.06 1x3b n SER 6 N 2.41 -0.70 -4.74 5.45 7.64 -1.26 -5.13 113.62 117.28 1x3b n SER 6 Ca 0.19 0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.89 1x3b n SER 6 Cb 0.36 1.05 0.08 0.00 -1.01 0.00 0.00 64.21 64.69 1x3b n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3b s GLY 7 N -2.14 2.11 0.30 0.23 0.00 -1.26 -4.73 107.32 101.82 1x3b s GLY 7 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1x3b s GLY 7 CO 0.00 1.01 0.00 1.03 0.00 0.00 0.00 173.10 175.14 1x3b n MET 8 N -2.86 -4.93 -3.86 2.90 0.00 -1.26 -4.98 117.12 102.13 1x3b n MET 8 Ca 0.11 3.55 -0.30 0.00 0.00 0.00 0.00 57.70 61.06 1x3b n MET 8 Cb 0.51 -3.86 -0.15 0.00 0.00 0.00 0.00 33.22 29.72 1x3b n MET 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1x3b s GLY 9 N -1.43 1.35 0.94 3.03 0.00 -1.26 -5.05 107.32 104.90 1x3b s GLY 9 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.79 1x3b s GLY 9 CO 0.00 1.26 1.11 -0.51 0.00 0.00 0.00 173.10 174.96 1x3b s THR 10 N 1.38 2.18 0.18 0.90 -4.23 -1.26 -3.55 115.64 111.23 1x3b s THR 10 Ca 0.06 0.06 -0.21 0.00 -1.18 0.00 0.00 61.69 60.42 1x3b s THR 10 Cb -0.18 -2.68 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1x3b s THR 10 CO -0.15 -0.08 1.36 0.55 -0.54 0.00 0.00 174.62 175.76 1x3b n VAL 11 N -3.92 -0.53 -0.14 2.29 3.14 -1.26 0.92 118.33 118.84 1x3b n VAL 11 Ca 0.06 2.10 -0.05 0.00 -2.96 0.00 0.00 64.34 63.49 1x3b n VAL 11 Cb 0.58 -2.69 0.01 0.00 -1.06 0.00 0.00 33.84 30.68 1x3b n VAL 11 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1x3b h MET 12 N 0.00 -0.12 -0.17 1.45 2.86 -1.91 -0.74 114.93 116.30 1x3b h MET 12 Ca 0.23 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1x3b h MET 12 Cb 0.45 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1x3b h MET 12 CO -0.85 -0.08 -0.09 -0.44 1.06 0.00 0.00 176.91 176.51 1x3b h ASP 13 N -0.13 -0.29 -1.01 1.22 5.19 0.24 0.22 116.42 121.86 1x3b h ASP 13 Ca 0.21 0.07 0.29 0.00 -0.62 0.00 0.00 57.03 56.99 1x3b h ASP 13 Cb 0.46 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.09 1x3b h ASP 13 CO -0.52 -0.12 0.96 0.58 -3.12 0.00 0.00 179.24 177.02 1x3b h VAL 14 N -0.07 0.18 0.17 -1.35 2.07 0.11 1.62 116.25 118.98 1x3b h VAL 14 Ca 0.10 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.30 1x3b h VAL 14 Cb 0.22 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1x3b h VAL 14 CO -0.22 0.00 -1.56 -0.07 0.02 0.00 0.00 177.57 175.74 1x3b h LEU 15 N 0.00 0.55 -0.06 2.57 3.38 -0.09 -3.18 115.31 118.48 1x3b h LEU 15 Ca 0.48 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1x3b h LEU 15 Cb 2.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 1x3b h LEU 15 CO -0.01 1.70 -0.02 0.11 0.09 0.00 0.00 178.44 180.32 1x3b h LYS 16 N -0.06 -0.00 -0.65 1.13 1.57 0.35 -2.43 116.57 116.48 1x3b h LYS 16 Ca -0.31 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1x3b h LYS 16 Cb 1.97 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.20 1x3b h LYS 16 CO 0.15 -0.00 0.25 0.78 -0.57 0.00 0.00 179.45 180.05 1x3b h GLY 17 N -0.00 0.93 -4.60 3.86 0.00 -0.53 -3.39 103.07 99.33 1x3b h GLY 17 Ca 0.03 -0.13 -0.54 0.00 0.00 0.00 0.00 47.33 46.69 1x3b h GLY 17 CO -0.06 -0.03 0.61 -0.35 0.00 0.00 0.00 176.54 176.71 1x3b s ASP 18 N -5.39 7.07 -0.01 0.19 2.15 -0.92 -4.93 116.67 114.84 1x3b s ASP 18 Ca -0.13 1.94 -0.22 0.00 0.43 0.00 0.00 52.55 54.58 1x3b s ASP 18 Cb 0.18 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 40.02 1x3b s ASP 18 CO 0.75 -0.51 1.13 0.78 -0.17 0.00 0.00 175.17 177.15 1x3b h ASN 19 N 7.07 0.38 -0.99 -0.34 4.21 -1.79 -3.21 115.58 120.92 1x3b h ASN 19 Ca -0.39 -0.70 0.40 0.00 1.21 0.00 0.00 56.30 56.82 1x3b h ASN 19 Cb 1.20 -0.12 -0.18 0.00 -1.12 0.00 0.00 38.32 38.10 1x3b h ASN 19 CO 0.84 1.03 0.49 0.54 -1.29 0.00 0.00 177.43 179.03 1x3b n ARG 20 N -4.40 -0.06 -2.44 0.81 1.74 -1.26 0.68 116.66 111.73 1x3b n ARG 20 Ca -0.09 1.37 -0.35 0.00 -0.77 0.00 0.00 57.85 58.02 1x3b n ARG 20 Cb 0.54 -2.44 0.01 0.00 -1.02 0.00 0.00 32.46 29.54 1x3b n ARG 20 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x3b n PHE 21 N -5.25 3.24 -0.06 -1.55 3.72 -1.21 -4.12 117.46 112.22 1x3b n PHE 21 Ca 0.36 -2.89 -0.04 0.00 -0.05 0.00 0.00 57.45 54.84 1x3b n PHE 21 Cb 1.23 -0.81 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1x3b n PHE 21 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x3b h SER 22 N 3.22 0.00 -0.28 4.37 0.87 0.16 -3.30 113.55 118.59 1x3b h SER 22 Ca 0.42 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 1x3b h SER 22 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1x3b h SER 22 CO 1.12 0.64 0.58 0.24 -0.53 0.00 0.00 176.83 178.88 1x3b h MET 23 N -0.89 0.00 0.40 2.24 2.86 -1.84 0.46 114.93 118.15 1x3b h MET 23 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1x3b h MET 23 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1x3b h MET 23 CO 0.00 0.00 -0.19 1.25 1.06 0.00 0.00 176.91 179.03 1x3b h LEU 24 N 0.00 -0.45 -0.82 1.22 5.85 -1.91 -3.13 115.31 116.07 1x3b h LEU 24 Ca 0.13 -0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.93 1x3b h LEU 24 Cb 1.30 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.29 1x3b h LEU 24 CO -0.00 -0.02 -0.26 0.58 -0.34 0.00 0.00 178.44 178.41 1x3b h VAL 25 N -1.06 0.14 -0.93 1.05 2.07 -0.99 1.21 116.25 117.75 1x3b h VAL 25 Ca -0.05 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.73 1x3b h VAL 25 Cb 0.51 0.14 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 1x3b h VAL 25 CO 0.09 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.04 1x3b h ALA 26 N 1.64 1.53 0.48 1.67 0.00 -1.53 0.55 119.26 123.60 1x3b h ALA 26 Ca 0.37 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1x3b h ALA 26 Cb 0.60 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x3b h ALA 26 CO -0.85 -0.51 -0.24 0.00 0.00 0.00 0.00 179.25 177.66 1x3b h ALA 27 N 1.81 -0.66 -0.01 0.00 0.00 0.15 0.16 119.26 120.73 1x3b h ALA 27 Ca 0.62 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1x3b h ALA 27 Cb 1.32 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1x3b h ALA 27 CO -0.64 -0.87 -0.29 0.82 0.00 0.00 0.00 179.25 178.27 1x3b h ILE 28 N -0.66 0.36 -0.21 0.00 2.04 0.28 1.45 117.51 120.77 1x3b h ILE 28 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1x3b h ILE 28 Cb 0.50 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1x3b h ILE 28 CO 0.11 0.00 -0.40 -0.61 0.00 0.00 0.00 178.15 177.25 1x3b h GLN 29 N -0.43 -0.40 -0.56 2.37 -0.00 0.03 1.25 115.11 117.37 1x3b h GLN 29 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1x3b h GLN 29 Cb 0.52 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 28.06 1x3b h GLN 29 CO -0.25 -0.27 0.36 1.03 0.00 0.00 0.00 178.83 179.70 1x3b h SER 30 N -0.42 0.65 -0.30 -0.69 0.87 -0.16 -1.17 113.55 112.32 1x3b h SER 30 Ca 0.10 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1x3b h SER 30 Cb 0.60 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1x3b h SER 30 CO -0.44 0.48 0.20 0.00 -0.53 0.00 0.00 176.83 176.53 1x3b h ALA 31 N 1.20 1.77 -0.59 6.23 0.00 0.33 -3.46 119.26 124.73 1x3b h ALA 31 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x3b h ALA 31 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x3b h ALA 31 CO -0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1x3b n GLY 32 N -1.47 0.95 0.06 0.00 0.00 0.42 -4.84 105.19 100.30 1x3b n GLY 32 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1x3b n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x3b n LEU 33 N -0.30 0.00 -0.35 0.99 4.77 -0.67 -4.52 117.00 116.92 1x3b n LEU 33 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1x3b n LEU 33 Cb 0.36 0.27 0.11 0.00 -2.33 0.00 0.00 43.42 41.83 1x3b n LEU 33 CO 0.00 0.27 0.65 0.74 -1.33 0.00 0.00 177.39 177.72 1x3b h THR 34 N 0.00 0.03 -0.05 -5.08 2.02 -1.87 0.99 112.91 108.94 1x3b h THR 34 Ca -0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1x3b h THR 34 Cb 1.61 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1x3b h THR 34 CO 0.02 0.00 -0.38 -0.33 0.37 0.00 0.00 175.52 175.20 1x3b h GLU 35 N -0.00 -0.42 -0.48 6.66 4.39 -1.93 1.53 114.58 124.33 1x3b h GLU 35 Ca 0.44 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.26 1x3b h GLU 35 Cb 0.68 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.33 1x3b h GLU 35 CO -0.99 -0.28 -0.31 1.15 -1.16 0.00 0.00 179.01 177.41 1x3b h THR 36 N -0.44 0.22 0.00 1.13 2.02 -1.17 1.49 112.91 116.16 1x3b h THR 36 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1x3b h THR 36 Cb 0.49 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1x3b h THR 36 CO -0.28 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.54 1x3b h LEU 37 N -0.20 0.00 -2.19 2.58 3.38 -0.32 0.18 115.31 118.74 1x3b h LEU 37 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1x3b h LEU 37 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x3b h LEU 37 CO -0.59 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.53 1x3b n ASN 38 N -2.43 3.26 -4.27 -0.43 3.02 0.52 -4.62 115.26 110.32 1x3b n ASN 38 Ca 0.00 -2.40 -0.29 0.00 -0.03 0.00 0.00 54.58 51.86 1x3b n ASN 38 Cb 0.15 -0.54 -0.15 0.00 -0.61 0.00 0.00 39.78 38.63 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x3b s ARG 39 N -1.85 1.81 0.33 3.52 0.52 0.05 -4.97 118.95 118.35 1x3b s ARG 39 Ca 0.29 -0.86 -0.28 0.00 -0.52 0.00 0.00 55.73 54.36 1x3b s ARG 39 Cb 0.21 -1.79 -0.13 0.00 0.52 0.00 0.00 34.95 33.76 1x3b s ARG 39 CO 0.10 0.49 1.16 -0.85 0.02 0.00 0.00 175.30 176.22 1x3b n GLU 40 N 2.37 1.77 0.00 3.54 0.00 -1.26 -4.74 120.64 122.32 1x3b n GLU 40 Ca -0.16 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1x3b n GLU 40 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.83 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x3b n GLY 41 N 0.97 -0.17 3.27 -1.84 0.00 -1.26 -5.11 105.19 101.05 1x3b n GLY 41 Ca 0.07 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -1.87 -0.02 -0.26 1.61 -7.23 -1.24 -4.25 120.40 107.14 1x3b s VAL 42 Ca 0.00 0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.19 1x3b s VAL 42 Cb 0.00 -0.61 0.13 0.00 0.56 0.00 0.00 36.38 36.46 1x3b s VAL 42 CO 0.00 0.03 0.52 -0.31 -0.31 0.00 0.00 175.10 175.04 1x3b s TYR 43 N 1.29 -1.13 -0.44 2.82 2.02 -1.26 -3.96 117.35 116.69 1x3b s TYR 43 Ca -0.09 1.73 -0.21 0.00 -0.37 0.00 0.00 57.07 58.14 1x3b s TYR 43 Cb -0.08 0.48 0.03 0.00 -0.40 0.00 0.00 41.96 41.99 1x3b s TYR 43 CO -0.11 -0.65 0.64 0.99 -1.57 0.00 0.00 175.55 174.85 1x3b s THR 44 N 2.74 4.83 0.23 -0.71 2.01 -1.10 -3.63 115.64 120.02 1x3b s THR 44 Ca 0.03 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1x3b s THR 44 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1x3b s THR 44 CO -0.17 -0.61 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.46 1x3b s VAL 45 N 2.80 3.54 -0.19 3.82 1.01 -1.21 0.16 120.40 130.33 1x3b s VAL 45 Ca 0.22 -1.72 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 1x3b s VAL 45 Cb -0.14 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1x3b s VAL 45 CO 0.19 -0.26 -0.06 -0.36 0.00 0.00 0.00 175.10 174.60 1x3b s PHE 46 N -2.06 1.93 -0.29 5.22 0.08 -1.07 -2.10 117.98 119.69 1x3b s PHE 46 Ca 0.29 -1.29 -0.08 0.00 0.12 0.00 0.00 56.93 55.97 1x3b s PHE 46 Cb -0.08 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1x3b s PHE 46 CO 0.19 -0.67 0.11 0.00 -0.10 0.00 0.00 175.22 174.75 1x3b s ALA 47 N 1.56 3.20 1.07 5.36 0.00 -1.23 -4.83 121.76 126.89 1x3b s ALA 47 Ca -0.01 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 1x3b s ALA 47 Cb -0.16 -2.24 0.24 0.00 0.00 0.00 0.00 23.12 20.95 1x3b s ALA 47 CO -0.08 -0.77 1.22 -1.25 0.00 0.00 0.00 175.76 174.88 1x3b s PRO 48 N 1.59 -0.19 0.63 0.00 0.04 -1.26 -1.29 135.00 134.52 1x3b s PRO 48 Ca 0.05 -0.22 -0.10 0.00 0.04 0.00 0.00 61.00 60.77 1x3b s PRO 48 Cb -0.16 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.79 1x3b s PRO 48 CO 0.05 -3.00 0.86 0.25 0.04 0.00 0.00 177.00 175.20 1x3b n THR 49 N -4.22 0.00 -0.03 1.26 -2.24 -0.87 -4.67 114.28 103.50 1x3b n THR 49 Ca 0.14 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 1x3b n THR 49 Cb 0.59 -1.62 -0.11 0.00 -2.10 0.00 0.00 70.33 67.10 1x3b n THR 49 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x3b h ASN 50 N -1.08 0.07 0.13 3.42 2.35 -1.94 -2.98 115.58 115.54 1x3b h ASN 50 Ca -0.28 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 54.79 1x3b h ASN 50 Cb 0.78 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1x3b h ASN 50 CO 0.20 0.74 0.00 1.21 -1.65 0.00 0.00 177.43 177.93 1x3b n GLU 51 N -4.70 0.15 0.15 0.81 0.00 -1.26 -2.01 120.64 113.78 1x3b n GLU 51 Ca -0.09 0.60 -0.13 0.00 0.00 0.00 0.00 57.16 57.54 1x3b n GLU 51 Cb 0.37 -1.95 -0.08 0.00 0.00 0.00 0.00 31.44 29.78 1x3b n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x3b h ALA 52 N 2.04 -0.41 -0.28 4.31 0.00 -1.85 -2.63 119.26 120.45 1x3b h ALA 52 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1x3b h ALA 52 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x3b h ALA 52 CO 0.00 -0.54 0.07 0.74 0.00 0.00 0.00 179.25 179.51 1x3b h PHE 53 N -0.78 0.47 -0.42 0.00 -1.00 -1.45 -2.22 116.94 111.53 1x3b h PHE 53 Ca -0.04 -0.06 0.12 0.00 2.81 0.00 0.00 57.97 60.81 1x3b h PHE 53 Cb 0.51 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1x3b h PHE 53 CO 0.03 0.52 0.51 0.00 -1.61 0.00 0.00 178.31 177.75 1x3b h ARG 54 N 0.28 0.00 -0.13 1.51 3.08 -1.49 0.36 114.38 117.99 1x3b h ARG 54 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1x3b h ARG 54 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1x3b h ARG 54 CO 0.00 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.70 1x3b h ALA 55 N 1.38 0.20 -1.39 0.04 0.00 -1.01 -3.45 119.26 115.04 1x3b h ALA 55 Ca 0.20 -0.36 -0.66 0.00 0.00 0.00 0.00 54.91 54.09 1x3b h ALA 55 Cb 1.22 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 19.07 1x3b h ALA 55 CO -0.00 0.14 -0.17 1.28 0.00 0.00 0.00 179.25 180.50 1x3b n LEU 56 N -4.51 0.15 -4.77 0.00 4.77 0.13 -4.93 117.00 107.84 1x3b n LEU 56 Ca -0.07 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.77 1x3b n LEU 56 Cb 0.41 -1.08 0.18 0.00 -2.33 0.00 0.00 43.42 40.59 1x3b n LEU 56 CO 0.40 -2.18 0.74 -2.16 -1.33 0.00 0.00 177.39 172.86 1x3b s PRO 57 N -0.97 0.30 0.16 3.23 0.04 -1.26 -4.81 135.00 131.68 1x3b s PRO 57 Ca 0.66 -0.03 0.24 0.00 0.04 0.00 0.00 61.00 61.91 1x3b s PRO 57 Cb -0.88 -1.77 0.91 0.00 0.04 0.00 0.00 34.50 32.79 1x3b s PRO 57 CO 0.57 -2.71 1.73 -0.35 0.04 0.00 0.00 177.00 176.28 1x3b n PRO 58 N -4.06 0.15 0.05 0.56 -0.04 -1.26 -0.73 135.00 129.68 1x3b n PRO 58 Ca 0.11 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.60 1x3b n PRO 58 Cb 0.59 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1x3b n PRO 58 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1x3b h ARG 59 N 0.00 0.36 0.00 0.54 9.65 -2.00 -3.31 114.38 119.61 1x3b h ARG 59 Ca 0.00 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1x3b h ARG 59 Cb 0.49 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1x3b h ARG 59 CO 0.00 1.29 -0.45 0.93 2.80 0.00 0.00 179.97 184.54 1x3b h GLU 60 N 0.10 0.00 0.00 0.20 5.08 -1.91 -3.17 114.58 114.88 1x3b h GLU 60 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1x3b h GLU 60 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1x3b h GLU 60 CO 0.15 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 1x3b n ARG 61 N -2.46 0.00 0.27 2.33 1.74 0.09 -2.86 116.66 115.77 1x3b n ARG 61 Ca 0.03 0.15 0.17 0.00 -0.77 0.00 0.00 57.85 57.43 1x3b n ARG 61 Cb 0.48 -0.96 0.83 0.00 -1.02 0.00 0.00 32.46 31.79 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x3b h SER 62 N 0.00 0.00 -0.43 0.55 0.87 -1.76 0.64 113.55 113.43 1x3b h SER 62 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1x3b h SER 62 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1x3b h SER 62 CO 0.00 0.00 0.22 -0.09 -0.53 0.00 0.00 176.83 176.43 1x3b h ARG 63 N 0.00 0.43 0.01 2.24 1.12 -1.55 1.10 114.38 117.73 1x3b h ARG 63 Ca 0.05 -0.03 -0.40 0.00 -1.11 0.00 0.00 59.98 58.50 1x3b h ARG 63 Cb 0.69 -0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 30.50 1x3b h ARG 63 CO -0.00 0.28 -2.25 1.28 -3.11 0.00 0.00 179.97 176.17 1x3b n LEU 64 N -4.90 2.24 0.27 3.80 4.77 0.05 -2.93 117.00 120.30 1x3b n LEU 64 Ca 0.02 0.23 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1x3b n LEU 64 Cb 0.10 -0.90 0.71 0.00 -2.33 0.00 0.00 43.42 41.00 1x3b n LEU 64 CO 0.30 0.63 1.08 -0.07 -1.33 0.00 0.00 177.39 178.01 1x3b h LEU 65 N -0.67 0.00 0.00 2.23 3.38 0.10 -3.33 115.31 117.02 1x3b h LEU 65 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1x3b h LEU 65 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1x3b h LEU 65 CO -0.26 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1x3b n GLY 66 N -1.46 0.97 3.70 0.83 0.00 0.38 -4.88 105.19 104.73 1x3b n GLY 66 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1x3b n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.00 6.47 -0.04 1.61 1.01 -1.13 -4.90 116.67 118.69 1x3b s ASP 67 Ca 0.00 2.71 -0.24 0.00 0.71 0.00 0.00 52.55 55.73 1x3b s ASP 67 Cb 0.00 -2.58 -0.22 0.00 1.01 0.00 0.00 42.92 41.13 1x3b s ASP 67 CO 0.00 -0.96 1.08 0.00 0.21 0.00 0.00 175.17 175.51 1x3b h ALA 68 N 7.98 0.05 -0.39 5.23 0.00 -1.86 -2.86 119.26 127.42 1x3b h ALA 68 Ca -0.44 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1x3b h ALA 68 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x3b h ALA 68 CO 0.94 0.07 0.00 1.63 0.00 0.00 0.00 179.25 181.89 1x3b n LYS 69 N -4.53 0.00 -0.26 0.00 4.76 -1.26 0.96 118.16 117.82 1x3b n LYS 69 Ca -0.09 0.92 0.25 0.00 -2.87 0.00 0.00 58.31 56.52 1x3b n LYS 69 Cb 0.47 -1.44 0.60 0.00 -1.84 0.00 0.00 35.03 32.83 1x3b n LYS 69 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x3b h GLU 70 N 0.00 0.23 0.00 1.97 3.07 -1.86 -0.05 114.58 117.93 1x3b h GLU 70 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1x3b h GLU 70 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1x3b h GLU 70 CO 0.00 0.15 0.00 -0.11 -1.40 0.00 0.00 179.01 177.65 1x3b n LEU 71 N -4.44 0.00 -0.32 1.33 0.00 0.27 -1.15 117.00 112.70 1x3b n LEU 71 Ca 0.22 0.99 0.20 0.00 0.00 0.00 0.00 56.01 57.42 1x3b n LEU 71 Cb 0.91 -0.49 0.47 0.00 0.00 0.00 0.00 43.42 44.31 1x3b n LEU 71 CO 0.33 -0.49 1.21 0.00 0.00 0.00 0.00 177.39 178.44 1x3b h ALA 72 N -1.83 2.11 -0.51 1.96 0.00 0.06 0.39 119.26 121.43 1x3b h ALA 72 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1x3b h ALA 72 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1x3b h ALA 72 CO 0.00 -0.50 0.04 -0.97 0.00 0.00 0.00 179.25 177.82 1x3b h ASN 73 N 0.47 -0.13 0.08 0.00 -1.24 -0.54 1.45 115.58 115.66 1x3b h ASN 73 Ca 0.58 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.70 1x3b h ASN 73 Cb 1.35 0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.59 1x3b h ASN 73 CO -0.31 -0.04 -0.04 0.40 -1.29 0.00 0.00 177.43 176.15 1x3b h ILE 74 N 0.16 1.15 -0.70 2.57 1.08 0.13 -2.42 117.51 119.48 1x3b h ILE 74 Ca 0.26 -0.85 0.13 0.00 -0.39 0.00 0.00 64.86 64.00 1x3b h ILE 74 Cb 0.38 1.69 -0.09 0.00 -3.07 0.00 0.00 36.82 35.73 1x3b h ILE 74 CO -0.39 0.21 0.26 -0.07 -0.69 0.00 0.00 178.15 177.46 1x3b h LEU 75 N -0.49 0.22 -0.07 1.44 3.38 -0.32 1.00 115.31 120.47 1x3b h LEU 75 Ca -0.01 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1x3b h LEU 75 Cb 0.42 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1x3b h LEU 75 CO 0.02 0.10 -0.26 0.11 0.09 0.00 0.00 178.44 178.50 1x3b h LYS 76 N 0.41 -0.35 0.00 1.13 1.57 0.21 0.54 116.57 120.08 1x3b h LYS 76 Ca 0.37 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1x3b h LYS 76 Cb 0.54 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1x3b h LYS 76 CO -0.38 -0.23 0.00 0.98 -0.57 0.00 0.00 179.45 179.25 1x3b n TYR 77 N -5.38 0.00 0.02 -1.35 9.36 -0.33 -0.98 117.16 118.51 1x3b n TYR 77 Ca -0.04 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.29 1x3b n TYR 77 Cb 0.29 -0.42 -0.12 0.00 -0.63 0.00 0.00 39.34 38.46 1x3b n TYR 77 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1x3b n HIS 78 N -1.42 0.31 -3.97 2.98 8.25 0.15 -4.91 115.22 116.62 1x3b n HIS 78 Ca 0.03 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 1x3b n HIS 78 Cb 0.10 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.49 1x3b n HIS 78 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x3b s ILE 79 N -3.44 5.21 0.30 1.59 1.01 0.12 -2.61 121.20 123.38 1x3b s ILE 79 Ca -0.06 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.46 1x3b s ILE 79 Cb 0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1x3b s ILE 79 CO 0.87 0.34 0.04 -0.83 0.00 0.00 0.00 174.94 175.36 1x3b s GLY 80 N -1.84 1.79 -0.67 6.18 0.00 0.42 -3.48 107.32 109.72 1x3b s GLY 80 Ca 0.25 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 1x3b s GLY 80 CO 0.17 -1.76 1.84 1.34 0.00 0.00 0.00 173.10 174.69 1x3b n ASP 81 N -0.97 7.01 0.00 1.64 2.03 -0.06 -2.70 116.55 123.50 1x3b n ASP 81 Ca -0.05 -3.80 0.00 0.00 0.52 0.00 0.00 54.79 51.46 1x3b n ASP 81 Cb 0.60 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x3b n GLU 82 N -0.71 0.00 -3.23 -0.67 0.28 -1.25 -4.89 120.64 110.18 1x3b n GLU 82 Ca 0.55 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.16 1x3b n GLU 82 Cb 0.53 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.35 1x3b n GLU 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3b s ILE 83 N -2.00 5.06 -0.08 3.84 -1.09 -1.26 -3.39 121.20 122.27 1x3b s ILE 83 Ca 0.00 1.15 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 1x3b s ILE 83 Cb 0.00 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1x3b s ILE 83 CO 0.00 0.35 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.83 1x3b s LEU 84 N 0.34 0.72 0.13 2.97 0.20 -1.26 -5.08 118.68 116.70 1x3b s LEU 84 Ca 0.30 -0.15 0.07 0.00 0.69 0.00 0.00 54.13 55.04 1x3b s LEU 84 Cb -0.17 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 1x3b s LEU 84 CO 0.14 -0.18 -0.16 0.68 -0.29 0.00 0.00 176.35 176.54 1x3b s VAL 85 N 1.92 1.54 -0.35 1.68 -7.23 -1.26 -4.90 120.40 111.79 1x3b s VAL 85 Ca 0.05 -1.73 0.21 0.00 -1.81 0.00 0.00 61.98 58.70 1x3b s VAL 85 Cb -0.12 -1.61 0.22 0.00 0.56 0.00 0.00 36.38 35.42 1x3b s VAL 85 CO -0.06 -0.32 1.65 -0.24 -0.31 0.00 0.00 175.10 175.82 1x3b n SER 86 N 0.58 0.57 -2.33 4.85 2.88 -1.26 -2.75 113.62 116.16 1x3b n SER 86 Ca -0.16 0.71 -0.24 0.00 -1.33 0.00 0.00 58.87 57.86 1x3b n SER 86 Cb 0.56 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 63.18 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 87 N -0.81 4.22 0.00 0.46 0.00 -1.26 -3.92 105.19 103.88 1x3b n GLY 87 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1x3b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3b n GLY 88 N 0.85 0.00 0.00 -0.02 0.00 -1.11 -5.14 105.19 99.76 1x3b n GLY 88 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1x3b n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x3b n ILE 89 N 0.00 0.00 0.00 -0.61 2.08 -1.25 -4.82 119.36 114.76 1x3b n ILE 89 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x3b n ILE 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 5.00 0.08 5.08 7.39 0.00 -1.26 -4.90 105.19 116.59 1x3b n GLY 90 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1x3b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3b n ALA 91 N 0.00 0.00 -3.15 4.61 0.00 -1.26 -4.67 120.51 116.03 1x3b n ALA 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N 0.00 1.08 0.01 0.00 2.96 -1.26 -3.60 118.68 117.87 1x3b s LEU 92 Ca 0.00 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1x3b s LEU 92 Cb 0.00 1.09 -0.01 0.00 0.50 0.00 0.00 46.19 47.77 1x3b s LEU 92 CO 0.00 -0.45 0.02 -0.69 -1.32 0.00 0.00 176.35 173.91 1x3b s VAL 93 N -1.54 0.10 -0.32 1.68 1.01 0.13 -4.99 120.40 116.46 1x3b s VAL 93 Ca -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1x3b s VAL 93 Cb -0.05 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1x3b s VAL 93 CO 0.02 -0.44 0.04 -0.13 0.00 0.00 0.00 175.10 174.59 1x3b s ARG 94 N -1.38 2.28 -0.24 2.72 0.52 -1.26 -1.74 118.95 119.85 1x3b s ARG 94 Ca -0.15 -1.42 -0.21 0.00 -0.52 0.00 0.00 55.73 53.43 1x3b s ARG 94 Cb -0.09 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 1x3b s ARG 94 CO -0.00 -0.73 0.68 -1.17 0.02 0.00 0.00 175.30 174.10 1x3b s LEU 95 N 1.20 4.08 -0.47 2.53 0.20 0.12 -4.87 118.68 121.47 1x3b s LEU 95 Ca -0.02 0.81 -0.29 0.00 0.69 0.00 0.00 54.13 55.32 1x3b s LEU 95 Cb -0.20 -2.94 0.02 0.00 -0.43 0.00 0.00 46.19 42.64 1x3b s LEU 95 CO -0.02 -0.39 1.21 -0.75 -0.29 0.00 0.00 176.35 176.11 1x3b s LYS 96 N 2.48 3.66 0.45 1.98 2.20 -1.26 0.18 119.74 129.43 1x3b s LYS 96 Ca 0.29 0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 56.41 1x3b s LYS 96 Cb -0.16 -3.95 -0.06 0.00 -1.51 0.00 0.00 37.83 32.15 1x3b s LYS 96 CO 0.09 -1.46 0.83 0.45 -0.36 0.00 0.00 175.35 174.90 1x3b s SER 97 N 2.89 6.49 0.24 1.43 0.15 -1.21 -0.88 113.70 122.80 1x3b s SER 97 Ca 0.51 1.22 -0.06 0.00 0.70 0.00 0.00 55.95 58.32 1x3b s SER 97 Cb -0.09 -2.36 0.24 0.00 -1.71 0.00 0.00 66.02 62.10 1x3b s SER 97 CO 0.32 -0.49 1.83 -0.07 1.20 0.00 0.00 173.24 176.02 1x3b h LEU 98 N 0.95 1.06 -1.41 3.45 4.07 -1.69 -1.84 115.31 119.89 1x3b h LEU 98 Ca -0.47 -0.13 0.25 0.00 0.08 0.00 0.00 57.88 57.61 1x3b h LEU 98 Cb 1.19 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.57 1x3b h LEU 98 CO 0.63 0.90 0.65 -0.61 -1.08 0.00 0.00 178.44 178.93 1x3b h GLN 99 N 1.15 0.39 0.00 1.13 -0.00 -1.84 -3.46 115.11 112.49 1x3b h GLN 99 Ca 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 1x3b h GLN 99 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1x3b h GLN 99 CO -0.03 0.26 0.00 0.41 0.00 0.00 0.00 178.83 179.47 1x3b n GLY 100 N -1.49 3.73 3.72 2.39 0.00 -0.69 -4.99 105.19 107.85 1x3b n GLY 100 Ca 0.23 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1x3b n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 101 N 0.00 6.82 0.13 1.61 1.11 -1.26 -4.60 116.67 120.48 1x3b s ASP 101 Ca 0.00 2.33 -0.30 0.00 0.18 0.00 0.00 52.55 54.76 1x3b s ASP 101 Cb 0.00 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.34 1x3b s ASP 101 CO 0.00 -0.65 1.12 -0.54 1.18 0.00 0.00 175.17 176.28 1x3b s LYS 102 N 1.10 4.54 -0.02 8.23 3.01 -1.26 -3.36 119.74 131.98 1x3b s LYS 102 Ca 0.65 1.72 -0.20 0.00 -1.01 0.00 0.00 55.97 57.13 1x3b s LYS 102 Cb -0.37 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.09 1x3b s LYS 102 CO 0.30 -0.04 0.58 -0.51 0.51 0.00 0.00 175.35 176.19 1x3b s LEU 103 N 0.13 4.40 -0.11 3.17 1.43 0.49 -4.85 118.68 123.34 1x3b s LEU 103 Ca 0.52 1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 1x3b s LEU 103 Cb -0.29 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1x3b s LEU 103 CO 0.33 0.10 0.52 -0.70 0.23 0.00 0.00 176.35 176.83 1x3b s GLU 104 N -0.13 4.36 -0.07 1.70 2.12 -1.26 0.11 118.70 125.53 1x3b s GLU 104 Ca 0.30 0.54 -0.03 0.00 0.36 0.00 0.00 54.97 56.14 1x3b s GLU 104 Cb -0.18 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.82 1x3b s GLU 104 CO 0.16 0.14 0.14 0.08 -0.54 0.00 0.00 175.26 175.24 1x3b s VAL 105 N 0.64 -0.15 0.17 3.70 1.01 -0.71 -1.57 120.40 123.50 1x3b s VAL 105 Ca 0.28 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1x3b s VAL 105 Cb -0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1x3b s VAL 105 CO 0.12 0.11 0.12 -0.94 0.00 0.00 0.00 175.10 174.51 1x3b s SER 106 N 1.72 0.20 -0.23 3.32 1.04 -1.24 -0.69 113.70 117.82 1x3b s SER 106 Ca -0.03 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.14 1x3b s SER 106 Cb -0.12 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.41 1x3b s SER 106 CO -0.05 -0.81 -0.12 -0.22 0.98 0.00 0.00 173.24 173.02 1x3b s LEU 107 N -3.10 2.87 -0.01 2.42 2.96 -1.24 -3.25 118.68 119.33 1x3b s LEU 107 Ca 0.32 -1.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.11 1x3b s LEU 107 Cb 0.07 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1x3b s LEU 107 CO 0.07 -0.15 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.38 1x3b s LYS 108 N 1.22 0.40 -1.99 1.98 1.02 -0.56 -4.75 119.74 117.06 1x3b s LYS 108 Ca -0.04 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1x3b s LYS 108 Cb -0.18 -0.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1x3b s LYS 108 CO -0.07 0.03 0.00 0.09 -0.92 0.00 0.00 175.35 174.47 1x3b n ASN 109 N 3.34 -5.40 -0.29 2.83 4.13 -1.26 0.72 115.26 119.33 1x3b n ASN 109 Ca -0.17 0.46 -0.04 0.00 1.68 0.00 0.00 54.58 56.51 1x3b n ASN 109 Cb 0.56 -4.64 -0.02 0.00 -1.54 0.00 0.00 39.78 34.14 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x3b n ASN 110 N -1.28 -3.66 -4.47 6.41 5.15 -1.26 -5.01 115.26 111.13 1x3b n ASN 110 Ca -0.19 0.09 -0.33 0.00 -0.60 0.00 0.00 54.58 53.56 1x3b n ASN 110 Cb 0.65 -1.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.27 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x3b s VAL 111 N -2.07 3.05 -0.01 3.44 1.01 0.22 -5.12 120.40 120.92 1x3b s VAL 111 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1x3b s VAL 111 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1x3b s VAL 111 CO 0.00 0.59 0.18 -0.69 0.00 0.00 0.00 175.10 175.18 1x3b s VAL 112 N -0.68 5.44 0.04 2.92 1.01 -1.26 -1.50 120.40 126.36 1x3b s VAL 112 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1x3b s VAL 112 Cb -0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1x3b s VAL 112 CO 0.01 0.33 -0.00 -0.44 0.00 0.00 0.00 175.10 174.99 1x3b s SER 113 N -1.93 0.32 -0.03 3.32 0.01 -1.20 -2.83 113.70 111.36 1x3b s SER 113 Ca 0.27 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.84 1x3b s SER 113 Cb -0.13 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1x3b s SER 113 CO 0.19 -0.46 -0.02 0.54 0.41 0.00 0.00 173.24 173.90 1x3b s VAL 114 N -2.67 0.30 -1.30 3.43 0.11 -0.01 -3.60 120.40 116.66 1x3b s VAL 114 Ca -0.05 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1x3b s VAL 114 Cb -0.01 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1x3b s VAL 114 CO -0.05 0.17 0.00 0.59 -3.33 0.00 0.00 175.10 172.47 1x3b n ASN 115 N 4.00 -3.82 -0.97 3.54 3.02 -0.61 0.44 115.26 120.86 1x3b n ASN 115 Ca -0.25 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.53 1x3b n ASN 115 Cb 0.51 -3.41 0.01 0.00 -0.61 0.00 0.00 39.78 36.29 1x3b n ASN 115 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x3b n LYS 116 N -2.31 -0.97 -4.18 3.52 5.02 -1.26 -5.02 118.16 112.95 1x3b n LYS 116 Ca -0.15 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 1x3b n LYS 116 Cb 0.52 -2.93 -0.13 0.00 -0.02 0.00 0.00 35.03 32.48 1x3b n LYS 116 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x3b s GLU 117 N -4.97 0.67 0.19 1.97 2.02 0.17 -5.13 118.70 113.62 1x3b s GLU 117 Ca 0.06 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 1x3b s GLU 117 Cb -0.03 -0.58 -0.08 0.00 0.10 0.00 0.00 34.13 33.55 1x3b s GLU 117 CO 0.09 0.13 1.11 -1.25 0.02 0.00 0.00 175.26 175.37 1x3b s PRO 118 N -1.19 4.58 0.18 0.39 0.04 -1.26 -0.83 135.00 136.92 1x3b s PRO 118 Ca -0.03 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1x3b s PRO 118 Cb -0.08 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1x3b s PRO 118 CO 0.01 0.06 0.43 0.08 0.04 0.00 0.00 177.00 177.62 1x3b s VAL 119 N -0.30 5.12 -0.01 -0.36 1.01 -1.13 -2.96 120.40 121.77 1x3b s VAL 119 Ca 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 1x3b s VAL 119 Cb -0.30 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1x3b s VAL 119 CO 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 175.10 175.40 1x3b h ALA 120 N 2.54 0.00 -2.18 5.51 0.00 0.31 -3.45 119.26 121.99 1x3b h ALA 120 Ca -0.47 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 53.91 1x3b h ALA 120 Cb 1.17 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 1x3b h ALA 120 CO 0.71 0.01 -0.78 -1.21 0.00 0.00 0.00 179.25 177.98 1x3b s GLU 121 N -1.07 0.68 1.11 0.00 2.02 -0.90 -4.99 118.70 115.55 1x3b s GLU 121 Ca -0.00 -1.26 -0.19 0.00 0.02 0.00 0.00 54.97 53.54 1x3b s GLU 121 Cb 0.00 -1.00 0.26 0.00 0.10 0.00 0.00 34.13 33.49 1x3b s GLU 121 CO 0.01 -1.25 1.23 -1.25 0.02 0.00 0.00 175.26 174.02 1x3b s PRO 122 N 1.02 -0.57 -0.31 0.39 0.04 -1.26 -3.10 135.00 131.21 1x3b s PRO 122 Ca 0.21 -0.35 -0.02 0.00 0.04 0.00 0.00 61.00 60.88 1x3b s PRO 122 Cb -0.14 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1x3b s PRO 122 CO -0.04 -3.23 0.27 -3.47 0.04 0.00 0.00 177.00 170.57 1x3b n ASP 123 N -4.36 -3.23 -4.04 6.66 2.03 -1.22 -4.92 116.55 107.48 1x3b n ASP 123 Ca 0.16 -0.21 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 1x3b n ASP 123 Cb 0.59 -1.89 -0.12 0.00 -0.72 0.00 0.00 41.12 38.99 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x3b s ILE 124 N -3.11 3.04 0.07 5.18 1.01 -0.07 -4.97 121.20 122.36 1x3b s ILE 124 Ca 0.12 -2.88 -0.31 0.00 0.00 0.00 0.00 60.65 57.59 1x3b s ILE 124 Cb -0.02 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1x3b s ILE 124 CO 0.22 -0.78 1.20 -0.04 0.00 0.00 0.00 174.94 175.54 1x3b s MET 125 N 0.16 4.44 0.00 2.79 -1.94 -1.26 0.13 119.30 123.61 1x3b s MET 125 Ca 0.15 1.79 0.00 0.00 -1.71 0.00 0.00 55.69 55.91 1x3b s MET 125 Cb -0.22 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.28 1x3b s MET 125 CO -0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 175.02 174.74 1x3b n ALA 126 N 3.80 0.00 1.52 3.03 0.00 0.21 -4.93 120.51 124.14 1x3b n ALA 126 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1x3b n ALA 126 Cb 0.46 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.50 1x3b n ALA 126 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3b n THR 127 N -0.52 0.00 -2.61 0.00 5.66 -1.23 -4.28 114.28 111.30 1x3b n THR 127 Ca 0.00 -0.14 -0.02 0.00 -3.05 0.00 0.00 64.05 60.83 1x3b n THR 127 Cb 0.00 0.18 0.02 0.00 -1.55 0.00 0.00 70.33 68.97 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x3b n ASN 128 N -0.43 -0.84 0.00 1.09 6.94 -1.26 -4.96 115.26 115.79 1x3b n ASN 128 Ca 0.18 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 1x3b n ASN 128 Cb 0.29 0.62 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3b n GLY 129 N -0.48 -0.81 3.24 4.83 0.00 -1.26 -3.72 105.19 106.99 1x3b n GLY 129 Ca -0.15 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1x3b n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3b s VAL 130 N -3.00 0.18 0.03 1.61 0.11 -1.24 0.68 120.40 118.77 1x3b s VAL 130 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1x3b s VAL 130 Cb 0.00 -2.54 0.01 0.00 -1.53 0.00 0.00 36.38 32.32 1x3b s VAL 130 CO 0.00 0.00 0.25 -0.69 -3.33 0.00 0.00 175.10 171.33 1x3b s VAL 131 N -4.01 0.09 -0.27 2.04 1.01 0.34 -3.33 120.40 116.26 1x3b s VAL 131 Ca 0.39 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x3b s VAL 131 Cb 0.07 -0.82 0.10 0.00 0.00 0.00 0.00 36.38 35.73 1x3b s VAL 131 CO 0.13 -0.39 0.15 -1.00 0.00 0.00 0.00 175.10 173.99 1x3b s HIS 132 N -2.21 0.17 0.17 5.22 3.76 -0.89 -0.89 115.29 120.62 1x3b s HIS 132 Ca -0.08 -0.66 -0.32 0.00 -0.15 0.00 0.00 55.06 53.86 1x3b s HIS 132 Cb -0.02 -0.79 -0.11 0.00 1.11 0.00 0.00 32.58 32.76 1x3b s HIS 132 CO -0.02 -0.79 1.79 0.28 -0.85 0.00 0.00 174.74 175.16 1x3b n VAL 133 N 5.27 0.19 -3.51 -0.90 0.31 -1.18 -3.56 118.33 114.96 1x3b n VAL 133 Ca -0.06 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 1x3b n VAL 133 Cb 0.44 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 1x3b n VAL 133 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x3b s ILE 134 N 2.00 2.61 -0.29 2.52 -4.36 -0.41 0.25 121.20 123.51 1x3b s ILE 134 Ca 0.78 -1.30 0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1x3b s ILE 134 Cb -0.48 -2.91 0.45 0.00 1.25 0.00 0.00 42.46 40.77 1x3b s ILE 134 CO 0.35 0.00 1.27 0.35 0.24 0.00 0.00 174.94 177.15 1x3b n THR 135 N -1.62 2.50 0.00 8.37 -2.24 -1.16 -2.05 114.28 118.08 1x3b n THR 135 Ca 0.04 -3.71 0.00 0.00 -2.27 0.00 0.00 64.05 58.11 1x3b n THR 135 Cb 0.62 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -0.89 0.00 -4.58 3.42 4.13 -1.26 -4.84 115.26 111.24 1x3b n ASN 136 Ca 0.37 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.20 1x3b n ASN 136 Cb 0.88 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.09 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x3b s VAL 137 N -2.00 4.29 0.96 2.41 1.01 -1.26 -4.67 120.40 121.14 1x3b s VAL 137 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 1x3b s VAL 137 Cb 0.00 -4.55 0.17 0.00 0.00 0.00 0.00 36.38 32.00 1x3b s VAL 137 CO 0.00 -0.98 1.13 -0.76 0.00 0.00 0.00 175.10 174.48 1x3b s LEU 138 N 4.24 2.49 0.04 3.92 1.43 -1.26 -5.05 118.68 124.49 1x3b s LEU 138 Ca 0.43 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1x3b s LEU 138 Cb -0.08 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1x3b s LEU 138 CO 0.29 -3.33 -0.03 -1.10 0.23 0.00 0.00 176.35 172.41 1x3b s GLN 139 N -4.61 0.48 1.07 1.70 -0.21 -1.26 -5.07 119.66 111.77 1x3b s GLN 139 Ca 0.67 -0.96 -0.17 0.00 0.02 0.00 0.00 55.36 54.92 1x3b s GLN 139 Cb -0.23 0.17 0.24 0.00 1.00 0.00 0.00 33.01 34.18 1x3b s GLN 139 CO 0.59 -0.09 1.22 -1.25 -2.12 0.00 0.00 175.29 173.64 1x3b s PRO 140 N -2.87 -0.23 -0.08 2.91 0.04 -1.26 -5.03 135.00 128.48 1x3b s PRO 140 Ca -0.03 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.77 1x3b s PRO 140 Cb 0.00 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1x3b s PRO 140 CO -0.06 -3.03 0.07 1.03 0.04 0.00 0.00 177.00 175.05 1x3b h SER 141 N -2.08 -0.04 -1.75 6.66 0.87 -2.01 -3.50 113.55 111.68 1x3b h SER 141 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1x3b h SER 141 Cb 1.27 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1x3b h SER 141 CO 0.37 0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 1x3b n GLY 142 N 1.67 -1.15 3.81 5.77 0.00 -1.26 -4.86 105.19 109.16 1x3b n GLY 142 Ca -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1x3b n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3b s PRO 143 N 0.00 2.21 -0.25 1.61 0.04 -1.26 -5.08 135.00 132.27 1x3b s PRO 143 Ca 0.00 0.69 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 1x3b s PRO 143 Cb 0.00 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.77 1x3b s PRO 143 CO 0.00 -1.54 1.23 -1.12 0.04 0.00 0.00 177.00 175.60 1x3b s SER 144 N -3.89 -0.19 -0.30 6.66 0.01 -1.26 -5.07 113.70 109.65 1x3b s SER 144 Ca 0.60 0.27 -0.09 0.00 1.31 0.00 0.00 55.95 58.05 1x3b s SER 144 Cb -0.14 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1x3b s SER 144 CO 0.54 -0.14 0.32 -0.24 0.41 0.00 0.00 173.24 174.14 1x3b n SER 145 N 1.02 -6.57 0.00 2.44 2.88 -1.26 -5.31 113.62 106.81 1x3b n SER 145 Ca -0.07 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1x3b n SER 145 Cb 0.58 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42