#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k42 n LEU 2 N 0.00 2.14 -4.96 -0.89 4.77 -1.26 -4.92 117.00 111.88 1k42 n LEU 2 Ca 0.00 -0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 1k42 n LEU 2 Cb 0.00 -1.49 0.09 0.00 -2.33 0.00 0.00 43.42 39.69 1k42 n LEU 2 CO 0.00 -1.37 0.59 0.54 -1.33 0.00 0.00 177.39 175.82 1k42 s VAL 3 N 11.33 2.26 0.01 4.08 0.11 -1.26 -5.01 120.40 131.92 1k42 s VAL 3 Ca 1.04 -0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.47 1k42 s VAL 3 Cb -0.35 -2.86 -0.18 0.00 -1.53 0.00 0.00 36.38 31.46 1k42 s VAL 3 CO 0.31 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 173.32 1k42 h ALA 4 N -0.61 0.15 -2.38 1.54 0.00 -1.61 -3.42 119.26 112.92 1k42 h ALA 4 Ca -0.42 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.56 1k42 h ALA 4 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1k42 h ALA 4 CO 0.50 0.09 0.41 1.21 0.00 0.00 0.00 179.25 181.46 1k42 s ASN 5 N -6.20 7.11 -0.19 0.00 3.84 -1.22 -2.03 114.94 116.25 1k42 s ASN 5 Ca -0.15 1.36 -0.03 0.00 0.21 0.00 0.00 52.86 54.26 1k42 s ASN 5 Cb 0.04 -2.50 -0.01 0.00 -0.55 0.00 0.00 41.25 38.23 1k42 s ASN 5 CO 0.75 -0.36 -0.06 -0.63 -2.79 0.00 0.00 177.10 174.00 1k42 s ILE 6 N 1.80 3.34 -0.35 -5.21 1.09 -1.26 -4.45 121.20 116.16 1k42 s ILE 6 Ca 0.43 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.46 1k42 s ILE 6 Cb -0.18 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.74 1k42 s ILE 6 CO 0.17 0.46 0.00 0.59 -0.10 0.00 0.00 174.94 176.05 1k42 n ASN 7 N 4.37 -4.57 0.28 3.58 4.13 -1.26 -3.70 115.26 118.09 1k42 n ASN 7 Ca -0.18 0.08 0.16 0.00 1.68 0.00 0.00 54.58 56.32 1k42 n ASN 7 Cb 0.51 -2.36 0.91 0.00 -1.54 0.00 0.00 39.78 37.31 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1k42 h GLY 8 N 0.00 0.00 -3.34 7.41 0.00 -1.75 -0.47 103.07 104.92 1k42 h GLY 8 Ca -0.07 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.78 1k42 h GLY 8 CO 0.10 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.22 1k42 n GLY 9 N -1.33 5.72 4.09 4.60 0.00 -1.25 -3.52 105.19 113.51 1k42 n GLY 9 Ca -0.02 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 1k42 n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k42 n PHE 10 N -0.92 -1.47 -0.08 1.61 3.01 -0.18 -4.47 117.46 114.96 1k42 n PHE 10 Ca 0.47 0.52 -0.17 0.00 1.01 0.00 0.00 57.45 59.27 1k42 n PHE 10 Cb 0.94 -3.15 -0.12 0.00 -0.01 0.00 0.00 39.48 37.13 1k42 n PHE 10 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1k42 h GLU 11 N -2.00 0.02 0.00 -1.08 4.39 -1.82 -3.35 114.58 110.74 1k42 h GLU 11 Ca -0.66 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1k42 h GLU 11 Cb 1.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1k42 h GLU 11 CO 0.62 1.01 0.00 0.77 -1.16 0.00 0.00 179.01 180.25 1k42 h SER 12 N -0.96 0.00 -3.07 1.42 0.02 -1.89 -3.44 113.55 105.63 1k42 h SER 12 Ca -0.15 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.23 1k42 h SER 12 Cb 1.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1k42 h SER 12 CO -0.08 0.00 1.01 -0.89 -1.14 0.00 0.00 176.83 175.73 1k42 s THR 13 N -3.15 4.04 0.19 -2.27 2.01 -1.25 -4.98 115.64 110.22 1k42 s THR 13 Ca 0.09 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 1k42 s THR 13 Cb 0.10 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1k42 s THR 13 CO 0.61 -0.45 1.04 -2.16 -0.69 0.00 0.00 174.62 172.97 1k42 s PRO 14 N 4.31 4.67 0.78 4.92 0.04 -1.26 -4.89 135.00 143.56 1k42 s PRO 14 Ca 0.60 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1k42 s PRO 14 Cb -0.18 -3.29 -0.15 0.00 0.04 0.00 0.00 34.50 30.92 1k42 s PRO 14 CO 0.25 0.20 -0.50 0.00 0.04 0.00 0.00 177.00 176.99 1k42 n ALA 15 N 2.13 -4.41 0.00 8.56 0.00 -1.26 -4.86 120.51 120.68 1k42 n ALA 15 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1k42 n ALA 15 Cb 0.47 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1k42 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k42 n GLY 16 N 3.05 4.40 3.70 0.00 0.00 -1.04 -4.93 105.19 110.36 1k42 n GLY 16 Ca 0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1k42 n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k42 n VAL 17 N -0.48 2.53 -3.25 1.61 3.14 -1.26 -2.79 118.33 117.84 1k42 n VAL 17 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1k42 n VAL 17 Cb 0.00 -1.57 -0.06 0.00 -1.06 0.00 0.00 33.84 31.15 1k42 n VAL 17 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k42 s VAL 18 N -1.19 4.73 -0.11 1.55 1.01 -0.54 -4.88 120.40 120.97 1k42 s VAL 18 Ca 0.61 1.05 0.14 0.00 0.00 0.00 0.00 61.98 63.78 1k42 s VAL 18 Cb -0.51 -3.80 -0.21 0.00 0.00 0.00 0.00 36.38 31.86 1k42 s VAL 18 CO 0.58 0.27 0.15 1.07 0.00 0.00 0.00 175.10 177.18 1k42 n THR 19 N 0.89 0.70 -3.59 3.92 5.66 -1.26 -4.83 114.28 115.77 1k42 n THR 19 Ca -0.05 -0.55 -0.29 0.00 -3.05 0.00 0.00 64.05 60.11 1k42 n THR 19 Cb 0.51 -0.36 -0.15 0.00 -1.55 0.00 0.00 70.33 68.78 1k42 n THR 19 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1k42 s ASP 20 N -4.54 3.50 0.40 1.09 1.11 -1.26 -5.00 116.67 111.97 1k42 s ASP 20 Ca -0.07 -1.27 0.12 0.00 0.18 0.00 0.00 52.55 51.51 1k42 s ASP 20 Cb 0.06 -0.45 0.95 0.00 1.07 0.00 0.00 42.92 44.55 1k42 s ASP 20 CO 0.64 -0.42 1.94 0.17 1.18 0.00 0.00 175.17 178.68 1k42 h LEU 21 N 8.34 0.48 -1.62 1.23 8.10 -1.88 0.17 115.31 130.12 1k42 h LEU 21 Ca -0.18 0.02 0.01 0.00 0.11 0.00 0.00 57.88 57.84 1k42 h LEU 21 Cb 1.03 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.15 1k42 h LEU 21 CO 0.43 0.27 0.27 0.00 -4.11 0.00 0.00 178.44 175.30 1k42 h ALA 22 N 1.65 1.75 -0.55 0.17 0.00 -1.93 -2.56 119.26 117.79 1k42 h ALA 22 Ca 0.34 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.83 1k42 h ALA 22 Cb 0.62 -0.15 -0.34 0.00 0.00 0.00 0.00 17.79 17.92 1k42 h ALA 22 CO -0.12 0.22 -0.78 -0.85 0.00 0.00 0.00 179.25 177.72 1k42 n GLU 23 N -4.48 2.95 0.00 0.00 0.28 0.14 -4.84 120.64 114.69 1k42 n GLU 23 Ca 0.03 -3.88 0.00 0.00 -0.16 0.00 0.00 57.16 53.15 1k42 n GLU 23 Cb 0.09 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1k42 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k42 n GLY 24 N -0.76 -0.13 3.69 -1.84 0.00 0.37 -4.83 105.19 101.70 1k42 n GLY 24 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 1k42 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k42 s VAL 25 N -0.69 5.38 0.38 1.61 1.01 -0.93 -4.96 120.40 122.19 1k42 s VAL 25 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1k42 s VAL 25 Cb 0.00 -3.50 0.31 0.00 0.00 0.00 0.00 36.38 33.19 1k42 s VAL 25 CO 0.00 0.39 1.95 -0.08 0.00 0.00 0.00 175.10 177.36 1k42 h GLU 26 N 7.10 0.63 -0.02 2.72 4.57 -1.90 -0.80 114.58 126.89 1k42 h GLU 26 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1k42 h GLU 26 Cb 1.16 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1k42 h GLU 26 CO 0.71 0.42 -0.23 0.41 -1.18 0.00 0.00 179.01 179.14 1k42 n GLY 27 N -1.47 0.45 2.73 1.92 0.00 -1.24 -4.34 105.19 103.24 1k42 n GLY 27 Ca 0.11 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 1k42 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k42 s TRP 28 N -2.24 0.21 0.04 1.61 0.52 -0.31 -1.41 118.94 117.36 1k42 s TRP 28 Ca 0.24 0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.55 1k42 s TRP 28 Cb 0.19 -0.49 -0.02 0.00 -1.15 0.00 0.00 33.47 32.00 1k42 s TRP 28 CO 0.44 -0.19 -0.22 -0.51 0.02 0.00 0.00 176.95 176.49 1k42 s ASP 29 N 1.77 2.63 0.37 2.95 1.11 -0.46 -2.19 116.67 122.85 1k42 s ASP 29 Ca 0.00 -0.52 0.08 0.00 0.18 0.00 0.00 52.55 52.29 1k42 s ASP 29 Cb -0.12 -0.23 -0.05 0.00 1.07 0.00 0.00 42.92 43.59 1k42 s ASP 29 CO -0.03 0.19 0.13 -0.76 1.18 0.00 0.00 175.17 175.88 1k42 s LEU 30 N -1.12 3.14 -0.25 1.23 1.43 -1.07 -0.60 118.68 121.43 1k42 s LEU 30 Ca 0.08 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1k42 s LEU 30 Cb -0.09 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1k42 s LEU 30 CO 0.02 -0.38 0.58 0.20 0.23 0.00 0.00 176.35 176.99 1k42 s ASN 31 N -3.84 -0.80 -0.11 2.29 -0.87 -0.06 -3.98 114.94 107.57 1k42 s ASN 31 Ca 0.38 1.33 -0.02 0.00 -1.57 0.00 0.00 52.86 52.98 1k42 s ASN 31 Cb 0.01 1.58 -0.03 0.00 -0.02 0.00 0.00 41.25 42.79 1k42 s ASN 31 CO 0.22 -0.22 -0.02 0.68 -2.57 0.00 0.00 177.10 175.18 1k42 s VAL 32 N 2.21 4.10 0.03 1.60 -7.23 -1.26 -2.69 120.40 117.17 1k42 s VAL 32 Ca -0.07 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1k42 s VAL 32 Cb -0.09 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1k42 s VAL 32 CO -0.17 0.56 0.04 0.61 -0.31 0.00 0.00 175.10 175.83 1k42 n GLY 33 N 2.63 2.54 0.00 2.32 0.00 -1.16 -4.95 105.19 106.57 1k42 n GLY 33 Ca -0.18 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 43.73 1k42 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k42 n SER 34 N -2.43 0.00 0.11 1.61 2.88 -1.26 -2.03 113.62 112.50 1k42 n SER 34 Ca 0.00 0.42 -0.04 0.00 -1.33 0.00 0.00 58.87 57.93 1k42 n SER 34 Cb 0.04 -0.45 0.11 0.00 -0.75 0.00 0.00 64.21 63.16 1k42 n SER 34 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k42 h SER 35 N 0.00 0.13 -0.46 -3.46 0.02 -1.88 -3.39 113.55 104.50 1k42 h SER 35 Ca 0.00 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1k42 h SER 35 Cb 0.15 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1k42 h SER 35 CO 0.00 0.76 0.38 -0.69 -1.14 0.00 0.00 176.83 176.14 1k42 s VAL 36 N -3.56 3.22 0.24 2.27 1.01 -0.86 -3.82 120.40 118.90 1k42 s VAL 36 Ca -0.02 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 61.85 1k42 s VAL 36 Cb 0.12 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1k42 s VAL 36 CO 0.79 -0.45 1.63 0.74 0.00 0.00 0.00 175.10 177.80 1k42 h THR 37 N 7.27 1.31 -3.86 3.92 2.02 -1.76 -3.43 112.91 118.38 1k42 h THR 37 Ca 0.06 -2.00 -0.68 0.00 0.77 0.00 0.00 66.41 64.55 1k42 h THR 37 Cb 1.00 2.11 -0.20 0.00 -1.74 0.00 0.00 68.15 69.31 1k42 h THR 37 CO 1.10 0.55 -0.77 0.21 0.37 0.00 0.00 175.52 176.98 1k42 s ASN 38 N -6.74 4.05 -0.39 4.18 3.84 -1.25 -5.08 114.94 113.55 1k42 s ASN 38 Ca -0.01 -0.34 -0.29 0.00 0.21 0.00 0.00 52.86 52.43 1k42 s ASN 38 Cb 0.12 -0.75 0.01 0.00 -0.55 0.00 0.00 41.25 40.08 1k42 s ASN 38 CO 0.75 0.26 1.31 -2.16 -2.79 0.00 0.00 177.10 174.47 1k42 s PRO 39 N -1.45 3.72 0.78 0.43 0.04 -1.26 -4.89 135.00 132.37 1k42 s PRO 39 Ca 0.16 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1k42 s PRO 39 Cb -0.11 -3.95 0.06 0.00 0.04 0.00 0.00 34.50 30.54 1k42 s PRO 39 CO 0.06 -1.37 1.11 -1.25 0.04 0.00 0.00 177.00 175.59 1k42 s PRO 40 N 4.57 2.23 -0.23 0.56 0.04 -1.26 -4.92 135.00 135.99 1k42 s PRO 40 Ca 0.57 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 1k42 s PRO 40 Cb -0.13 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1k42 s PRO 40 CO 0.29 -1.48 0.02 0.08 0.04 0.00 0.00 177.00 175.95 1k42 s VAL 41 N -3.31 3.99 -0.31 -0.36 1.01 -1.15 -4.90 120.40 115.37 1k42 s VAL 41 Ca 0.60 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1k42 s VAL 41 Cb -0.13 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1k42 s VAL 41 CO 0.52 0.39 0.07 -0.36 0.00 0.00 0.00 175.10 175.72 1k42 s PHE 42 N 1.37 3.19 -0.01 5.22 0.08 -1.26 -2.28 117.98 124.30 1k42 s PHE 42 Ca 0.05 -1.30 -0.20 0.00 0.12 0.00 0.00 56.93 55.60 1k42 s PHE 42 Cb -0.15 -2.23 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1k42 s PHE 42 CO 0.01 -0.68 0.44 -2.00 -0.10 0.00 0.00 175.22 172.90 1k42 s GLU 43 N 1.42 0.85 0.06 0.44 -6.30 -1.11 -1.47 118.70 112.59 1k42 s GLU 43 Ca -0.00 -0.11 -0.02 0.00 -2.50 0.00 0.00 54.97 52.34 1k42 s GLU 43 Cb -0.18 0.39 -0.04 0.00 0.00 0.00 0.00 34.13 34.29 1k42 s GLU 43 CO 0.02 -0.26 0.25 0.08 0.02 0.00 0.00 175.26 175.36 1k42 s VAL 44 N -1.61 5.34 0.04 3.70 1.01 -1.12 -0.27 120.40 127.50 1k42 s VAL 44 Ca -0.11 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1k42 s VAL 44 Cb -0.03 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1k42 s VAL 44 CO 0.04 0.18 -0.12 -0.22 0.00 0.00 0.00 175.10 174.98 1k42 s LEU 45 N -2.33 2.20 -0.26 3.92 0.20 -0.60 -2.49 118.68 119.31 1k42 s LEU 45 Ca 0.34 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.66 1k42 s LEU 45 Cb -0.13 -0.47 0.03 0.00 -0.43 0.00 0.00 46.19 45.20 1k42 s LEU 45 CO 0.24 -0.04 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.61 1k42 s GLU 46 N -1.27 2.72 0.13 1.98 2.02 -1.26 -2.03 118.70 120.99 1k42 s GLU 46 Ca -0.01 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.89 1k42 s GLU 46 Cb -0.08 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 1k42 s GLU 46 CO 0.01 -0.46 0.09 0.95 0.02 0.00 0.00 175.26 175.87 1k42 s THR 47 N 1.30 0.11 -1.29 3.63 -4.23 -1.00 -5.00 115.64 109.15 1k42 s THR 47 Ca -0.01 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1k42 s THR 47 Cb -0.18 -1.94 0.26 0.00 1.34 0.00 0.00 72.50 71.99 1k42 s THR 47 CO -0.03 -0.49 1.05 -0.24 -0.54 0.00 0.00 174.62 174.36 1k42 n SER 48 N -0.09 2.09 -0.01 3.99 2.88 -1.26 -3.51 113.62 117.71 1k42 n SER 48 Ca -0.07 -2.18 0.09 0.00 -1.33 0.00 0.00 58.87 55.38 1k42 n SER 48 Cb 0.63 -0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 1k42 n SER 48 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k42 n ASP 49 N 0.23 0.74 -4.66 -3.46 8.00 -1.26 -4.97 116.55 111.17 1k42 n ASP 49 Ca 0.09 -0.14 -0.40 0.00 0.71 0.00 0.00 54.79 55.05 1k42 n ASP 49 Cb 0.42 1.73 0.02 0.00 -0.02 0.00 0.00 41.12 43.27 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k42 n ALA 50 N -2.04 0.77 0.07 2.24 0.00 -1.23 -4.91 120.51 115.41 1k42 n ALA 50 Ca -0.02 0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1k42 n ALA 50 Cb 0.46 -2.19 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 1k42 n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k42 h PRO 51 N 1.54 0.49 -3.89 0.00 0.13 -1.92 -3.41 132.00 124.93 1k42 h PRO 51 Ca -0.47 -0.68 -0.77 0.00 -0.87 0.00 0.00 66.00 63.20 1k42 h PRO 51 Cb 1.32 0.23 -0.27 0.00 0.13 0.00 0.00 31.00 32.42 1k42 h PRO 51 CO 0.57 1.30 -0.04 -2.00 -0.23 0.00 0.00 178.00 177.60 1k42 s GLU 52 N -2.83 3.32 7.19 0.86 2.56 -1.26 -4.93 118.70 123.61 1k42 s GLU 52 Ca -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 54.97 52.59 1k42 s GLU 52 Cb 0.04 -4.32 0.00 0.00 2.00 0.00 0.00 34.13 31.85 1k42 s GLU 52 CO 0.89 -1.28 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 1k42 n GLY 53 N 4.26 2.13 2.30 -1.50 0.00 -1.26 -4.03 105.19 107.08 1k42 n GLY 53 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1k42 n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k42 n ASN 54 N 9.49 -1.36 -3.84 1.61 3.02 -1.26 -4.58 115.26 118.33 1k42 n ASN 54 Ca 0.00 -2.17 -0.15 0.00 -0.03 0.00 0.00 54.58 52.23 1k42 n ASN 54 Cb 0.00 0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 39.62 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1k42 s LYS 55 N 0.10 0.17 0.29 3.52 1.02 -1.26 -2.37 119.74 121.21 1k42 s LYS 55 Ca 0.07 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 56.06 1k42 s LYS 55 Cb 0.35 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1k42 s LYS 55 CO -0.10 -0.07 0.38 0.14 -0.92 0.00 0.00 175.35 174.79 1k42 s VAL 56 N 0.57 0.00 -0.43 3.17 -7.23 -0.86 -4.46 120.40 111.17 1k42 s VAL 56 Ca -0.05 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 1k42 s VAL 56 Cb -0.08 -2.49 0.09 0.00 0.56 0.00 0.00 36.38 34.47 1k42 s VAL 56 CO -0.01 0.00 0.28 -0.22 -0.31 0.00 0.00 175.10 174.83 1k42 s LEU 57 N -3.18 5.30 -0.22 1.32 2.96 -0.70 -1.55 118.68 122.61 1k42 s LEU 57 Ca 0.31 -1.67 -0.28 0.00 -0.22 0.00 0.00 54.13 52.27 1k42 s LEU 57 Cb 0.01 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1k42 s LEU 57 CO 0.16 -0.58 0.99 0.00 -1.32 0.00 0.00 176.35 175.60 1k42 s ALA 58 N 1.38 3.65 0.04 5.97 0.00 0.63 -1.96 121.76 131.46 1k42 s ALA 58 Ca 0.04 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1k42 s ALA 58 Cb -0.24 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1k42 s ALA 58 CO 0.01 -0.96 -0.17 0.08 0.00 0.00 0.00 175.76 174.71 1k42 s VAL 59 N 2.96 2.85 -0.62 0.00 1.01 -0.35 -2.74 120.40 123.51 1k42 s VAL 59 Ca 0.42 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1k42 s VAL 59 Cb -0.15 -2.20 0.16 0.00 0.00 0.00 0.00 36.38 34.19 1k42 s VAL 59 CO 0.08 0.35 0.47 -0.89 0.00 0.00 0.00 175.10 175.11 1k42 s THR 60 N -0.92 4.16 -0.34 3.92 2.01 -0.97 0.18 115.64 123.68 1k42 s THR 60 Ca 0.15 -2.59 -0.20 0.00 0.31 0.00 0.00 61.69 59.35 1k42 s THR 60 Cb -0.11 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1k42 s THR 60 CO 0.05 -0.88 0.64 -0.69 -0.69 0.00 0.00 174.62 173.05 1k42 s VAL 61 N 0.32 4.90 -0.39 3.82 1.01 -1.12 -2.93 120.40 126.00 1k42 s VAL 61 Ca 0.15 0.70 0.11 0.00 0.00 0.00 0.00 61.98 62.93 1k42 s VAL 61 Cb -0.19 -4.05 0.37 0.00 0.00 0.00 0.00 36.38 32.51 1k42 s VAL 61 CO -0.04 -0.25 1.00 -0.46 0.00 0.00 0.00 175.10 175.35 1k42 n ASN 62 N 5.99 -0.49 0.00 3.32 0.23 -1.26 -1.38 115.26 121.66 1k42 n ASN 62 Ca -0.01 -3.07 0.00 0.00 -0.53 0.00 0.00 54.58 50.97 1k42 n ASN 62 Cb 0.49 0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 1k42 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k42 n GLY 63 N 0.09 -0.77 0.52 4.83 0.00 -1.26 -4.84 105.19 103.76 1k42 n GLY 63 Ca 0.11 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.79 1k42 n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k42 n VAL 64 N 0.00 0.00 -3.84 1.61 0.24 -1.26 -3.96 118.33 111.12 1k42 n VAL 64 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1k42 n VAL 64 Cb 0.00 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.44 1k42 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k42 n GLY 65 N 3.83 4.21 0.32 7.63 0.00 -1.25 -4.26 105.19 115.67 1k42 n GLY 65 Ca 0.02 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1k42 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k42 n ASN 66 N -2.53 0.98 -4.45 1.61 5.15 -1.26 -4.82 115.26 109.94 1k42 n ASN 66 Ca 0.00 -1.41 -0.31 0.00 -0.60 0.00 0.00 54.58 52.26 1k42 n ASN 66 Cb 0.00 -0.02 -0.13 0.00 -0.53 0.00 0.00 39.78 39.10 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k42 s ASN 67 N -1.86 3.77 0.00 1.20 -0.87 -1.26 -5.01 114.94 110.91 1k42 s ASN 67 Ca 0.38 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1k42 s ASN 67 Cb 0.20 -0.60 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 1k42 s ASN 67 CO 0.31 0.26 1.84 -0.81 -2.57 0.00 0.00 177.10 176.13 1k42 n PRO 68 N 1.57 0.98 -2.69 -0.60 -0.04 -1.26 -3.90 135.00 129.06 1k42 n PRO 68 Ca -0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 1k42 n PRO 68 Cb 0.52 -1.01 0.10 0.00 -0.04 0.00 0.00 33.50 33.07 1k42 n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k42 n TRP 69 N 1.40 -2.16 0.12 0.54 2.14 -1.26 -4.92 117.44 113.30 1k42 n TRP 69 Ca 0.00 -1.74 -0.05 0.00 2.07 0.00 0.00 57.50 57.78 1k42 n TRP 69 Cb 0.49 1.54 -0.02 0.00 -0.81 0.00 0.00 31.31 32.51 1k42 n TRP 69 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1k42 h ASP 70 N 1.88 -0.28 -3.34 -0.67 3.32 -1.67 -3.39 116.42 112.27 1k42 h ASP 70 Ca -0.33 0.01 -0.63 0.00 0.02 0.00 0.00 57.03 56.11 1k42 h ASP 70 Cb 1.29 0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.72 1k42 h ASP 70 CO -0.09 -0.06 -0.62 -0.63 -1.72 0.00 0.00 179.24 176.13 1k42 s ILE 71 N -2.79 4.33 -0.05 0.35 1.09 -0.11 -2.98 121.20 121.04 1k42 s ILE 71 Ca -0.05 -0.20 -0.01 0.00 -1.10 0.00 0.00 60.65 59.29 1k42 s ILE 71 Cb 0.00 -2.94 0.03 0.00 -1.06 0.00 0.00 42.46 38.50 1k42 s ILE 71 CO 0.15 0.46 0.03 -0.70 -0.10 0.00 0.00 174.94 174.78 1k42 s GLU 72 N 0.51 0.20 -0.33 2.79 2.12 -1.09 0.11 118.70 123.01 1k42 s GLU 72 Ca 0.00 0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.53 1k42 s GLU 72 Cb -0.13 -0.62 0.06 0.00 0.26 0.00 0.00 34.13 33.70 1k42 s GLU 72 CO 0.02 -0.27 0.06 0.00 -0.54 0.00 0.00 175.26 174.53 1k42 s ALA 73 N 1.81 2.93 0.45 6.30 0.00 0.18 -0.89 121.76 132.53 1k42 s ALA 73 Ca 0.01 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.03 1k42 s ALA 73 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1k42 s ALA 73 CO -0.03 -1.41 0.65 0.99 0.00 0.00 0.00 175.76 175.96 1k42 s THR 74 N 1.24 3.81 -0.04 0.00 2.01 0.23 -0.86 115.64 122.03 1k42 s THR 74 Ca -0.01 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1k42 s THR 74 Cb -0.20 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1k42 s THR 74 CO -0.01 -0.26 -0.24 0.00 -0.69 0.00 0.00 174.62 173.42 1k42 s ALA 75 N -2.52 2.24 -0.25 7.40 0.00 -0.18 -1.35 121.76 127.09 1k42 s ALA 75 Ca 0.49 -1.07 -0.37 0.00 0.00 0.00 0.00 51.96 51.01 1k42 s ALA 75 Cb -0.10 -0.67 0.15 0.00 0.00 0.00 0.00 23.12 22.51 1k42 s ALA 75 CO 0.37 0.48 1.37 -0.59 0.00 0.00 0.00 175.76 177.39 1k42 s PHE 76 N -0.41 -0.02 0.64 0.00 -0.71 -0.50 -2.51 117.98 114.46 1k42 s PHE 76 Ca 0.04 0.01 -0.09 0.00 -1.04 0.00 0.00 56.93 55.85 1k42 s PHE 76 Cb -0.12 0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1k42 s PHE 76 CO 0.01 -0.04 1.00 -1.25 -1.34 0.00 0.00 175.22 173.60 1k42 s PRO 77 N -2.08 3.08 0.19 1.99 0.04 -1.26 -3.90 135.00 133.06 1k42 s PRO 77 Ca 0.12 0.36 0.09 0.00 0.04 0.00 0.00 61.00 61.61 1k42 s PRO 77 Cb 0.00 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1k42 s PRO 77 CO -0.03 -0.78 -0.19 0.08 0.04 0.00 0.00 177.00 176.13 1k42 s VAL 78 N -3.16 1.96 -0.02 -0.36 1.01 -0.76 -3.98 120.40 115.09 1k42 s VAL 78 Ca 0.55 -2.04 0.07 0.00 0.00 0.00 0.00 61.98 60.57 1k42 s VAL 78 Cb -0.11 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1k42 s VAL 78 CO 0.50 -0.35 -0.24 0.20 0.00 0.00 0.00 175.10 175.21 1k42 s ASN 79 N -2.88 2.87 0.14 3.32 -0.87 -0.86 -2.70 114.94 113.97 1k42 s ASN 79 Ca 0.19 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 1k42 s ASN 79 Cb -0.05 -0.34 -0.00 0.00 -0.02 0.00 0.00 41.25 40.84 1k42 s ASN 79 CO 0.08 0.30 0.18 1.33 -2.57 0.00 0.00 177.10 176.42 1k42 n VAL 80 N 2.50 0.00 -4.05 1.60 0.24 -0.62 -4.51 118.33 113.49 1k42 n VAL 80 Ca -0.16 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.34 61.20 1k42 n VAL 80 Cb 0.52 0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 33.23 1k42 n VAL 80 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1k42 s ARG 81 N -2.39 0.39 -0.55 7.34 0.52 -1.26 -4.71 118.95 118.29 1k42 s ARG 81 Ca 0.13 -0.48 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 1k42 s ARG 81 Cb -0.00 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1k42 s ARG 81 CO 0.09 0.04 1.34 -1.25 0.02 0.00 0.00 175.30 175.54 1k42 s PRO 82 N -0.97 3.41 0.00 3.54 0.04 -1.26 -3.15 135.00 136.61 1k42 s PRO 82 Ca -0.07 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1k42 s PRO 82 Cb -0.07 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1k42 s PRO 82 CO -0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1k42 n GLY 83 N 5.16 1.44 3.85 0.56 0.00 -1.26 -5.07 105.19 109.87 1k42 n GLY 83 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1k42 n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k42 s VAL 84 N -1.78 4.66 0.02 1.61 1.01 -1.19 -5.00 120.40 119.73 1k42 s VAL 84 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.88 1k42 s VAL 84 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1k42 s VAL 84 CO 0.00 -0.17 0.34 -0.89 0.00 0.00 0.00 175.10 174.37 1k42 s THR 85 N -1.97 5.18 0.38 3.92 2.01 -1.26 -4.21 115.64 119.69 1k42 s THR 85 Ca 0.54 0.45 0.07 0.00 0.31 0.00 0.00 61.69 63.07 1k42 s THR 85 Cb -0.10 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1k42 s THR 85 CO 0.17 0.42 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.20 1k42 s TYR 86 N -1.25 2.44 0.19 4.92 1.51 -1.05 -4.54 117.35 119.58 1k42 s TYR 86 Ca 0.27 -0.64 0.11 0.00 -1.01 0.00 0.00 57.07 55.80 1k42 s TYR 86 Cb -0.14 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1k42 s TYR 86 CO 0.15 0.46 -0.19 0.99 -1.11 0.00 0.00 175.55 175.84 1k42 s THR 87 N -2.72 2.63 -0.12 -0.71 2.01 0.11 -3.10 115.64 113.75 1k42 s THR 87 Ca 0.34 -1.92 -0.01 0.00 0.31 0.00 0.00 61.69 60.41 1k42 s THR 87 Cb 0.08 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.33 1k42 s THR 87 CO 0.17 -0.12 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.45 1k42 s TYR 88 N -1.71 1.37 0.02 4.92 6.14 -0.87 -1.93 117.35 125.29 1k42 s TYR 88 Ca 0.22 -0.71 0.03 0.00 0.64 0.00 0.00 57.07 57.25 1k42 s TYR 88 Cb -0.08 -1.17 -0.01 0.00 0.42 0.00 0.00 41.96 41.11 1k42 s TYR 88 CO 0.12 -0.50 -0.08 0.99 0.64 0.00 0.00 175.55 176.71 1k42 s THR 89 N 1.74 0.64 0.16 4.34 2.01 -0.87 -1.37 115.64 122.29 1k42 s THR 89 Ca 0.04 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1k42 s THR 89 Cb -0.13 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1k42 s THR 89 CO -0.08 -0.04 0.35 -0.51 -0.69 0.00 0.00 174.62 173.66 1k42 s ILE 90 N -0.65 0.07 -0.07 1.82 2.07 -0.36 -1.44 121.20 122.64 1k42 s ILE 90 Ca -0.01 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1k42 s ILE 90 Cb -0.06 -1.59 0.02 0.00 0.13 0.00 0.00 42.46 40.96 1k42 s ILE 90 CO 0.00 -0.30 -0.05 0.26 -1.91 0.00 0.00 174.94 172.94 1k42 s TRP 91 N -3.90 1.00 0.12 3.50 0.52 0.07 -1.71 118.94 118.54 1k42 s TRP 91 Ca 0.11 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.95 1k42 s TRP 91 Cb 0.02 -0.89 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1k42 s TRP 91 CO -0.04 -0.31 -0.17 0.00 0.02 0.00 0.00 176.95 176.45 1k42 s ALA 92 N 1.33 2.73 -0.30 0.98 0.00 -1.15 -1.42 121.76 123.93 1k42 s ALA 92 Ca -0.04 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 1k42 s ALA 92 Cb -0.14 -0.67 0.15 0.00 0.00 0.00 0.00 23.12 22.46 1k42 s ALA 92 CO -0.03 0.59 0.80 0.50 0.00 0.00 0.00 175.76 177.61 1k42 s ARG 93 N -2.21 0.45 0.42 0.00 3.52 -0.54 -1.62 118.95 118.96 1k42 s ARG 93 Ca 0.19 1.11 0.08 0.00 -0.13 0.00 0.00 55.73 56.97 1k42 s ARG 93 Cb -0.10 0.66 -0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1k42 s ARG 93 CO 0.11 -0.18 0.39 0.00 -0.81 0.00 0.00 175.30 174.81 1k42 s ALA 94 N 2.72 4.10 0.01 6.12 0.00 -1.03 -0.93 121.76 132.76 1k42 s ALA 94 Ca -0.03 -1.87 -0.26 0.00 0.00 0.00 0.00 51.96 49.80 1k42 s ALA 94 Cb -0.10 -1.05 -0.16 0.00 0.00 0.00 0.00 23.12 21.81 1k42 s ALA 94 CO -0.18 -0.23 1.23 1.49 0.00 0.00 0.00 175.76 178.07 1k42 h GLU 95 N 1.00 -0.54 -5.70 0.00 4.81 -1.55 -3.37 114.58 109.22 1k42 h GLU 95 Ca -0.41 0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.19 1k42 h GLU 95 Cb 1.27 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.64 1k42 h GLU 95 CO 0.56 -0.24 -0.57 -0.65 -0.73 0.00 0.00 179.01 177.38 1k42 s GLN 96 N -4.77 3.36 0.59 1.92 -1.52 -1.26 -4.72 119.66 113.26 1k42 s GLN 96 Ca -0.14 -0.32 -0.20 0.00 -1.95 0.00 0.00 55.36 52.75 1k42 s GLN 96 Cb 0.02 -3.00 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 1k42 s GLN 96 CO 0.52 0.61 1.30 0.16 -0.25 0.00 0.00 175.29 177.63 1k42 s ASP 97 N -0.59 5.04 0.00 5.90 -4.77 -1.26 -4.31 116.67 116.68 1k42 s ASP 97 Ca 0.11 2.63 0.00 0.00 -3.30 0.00 0.00 52.55 51.99 1k42 s ASP 97 Cb -0.12 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1k42 s ASP 97 CO 0.02 -1.71 0.00 0.61 0.70 0.00 0.00 175.17 174.79 1k42 n GLY 98 N 0.75 1.06 3.33 2.12 0.00 -1.16 -4.96 105.19 106.32 1k42 n GLY 98 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1k42 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k42 s ALA 99 N -2.00 2.22 0.09 4.61 0.00 -1.19 -4.55 121.76 120.95 1k42 s ALA 99 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.89 1k42 s ALA 99 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1k42 s ALA 99 CO 0.00 0.53 -0.17 0.08 0.00 0.00 0.00 175.76 176.20 1k42 s VAL 100 N -0.67 2.87 0.17 0.00 1.01 -1.05 -0.57 120.40 122.15 1k42 s VAL 100 Ca 0.11 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 1k42 s VAL 100 Cb -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1k42 s VAL 100 CO -0.00 0.19 0.35 -0.69 0.00 0.00 0.00 175.10 174.95 1k42 s VAL 101 N -1.07 0.06 0.02 2.92 1.01 -1.16 -4.50 120.40 117.66 1k42 s VAL 101 Ca 0.17 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1k42 s VAL 101 Cb -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1k42 s VAL 101 CO 0.09 -0.25 -0.06 -0.55 0.00 0.00 0.00 175.10 174.33 1k42 s SER 102 N -2.94 0.64 -0.25 3.32 0.15 -1.18 -1.74 113.70 111.70 1k42 s SER 102 Ca 0.14 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.48 1k42 s SER 102 Cb 0.02 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 1k42 s SER 102 CO -0.01 -0.06 0.08 -0.36 1.20 0.00 0.00 173.24 174.09 1k42 s PHE 103 N -0.66 0.92 0.40 3.44 0.40 -1.17 -0.79 117.98 120.51 1k42 s PHE 103 Ca -0.04 -1.03 0.08 0.00 -0.60 0.00 0.00 56.93 55.34 1k42 s PHE 103 Cb -0.05 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 1k42 s PHE 103 CO 0.00 -0.73 0.19 0.95 0.70 0.00 0.00 175.22 176.33 1k42 s THR 104 N 1.89 2.50 0.00 0.64 -4.23 -1.16 -2.56 115.64 112.73 1k42 s THR 104 Ca 0.05 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1k42 s THR 104 Cb -0.17 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1k42 s THR 104 CO -0.20 -0.05 -0.16 0.68 -0.54 0.00 0.00 174.62 174.35 1k42 s VAL 105 N -2.55 1.27 -0.23 2.29 -7.23 -1.15 -2.11 120.40 110.70 1k42 s VAL 105 Ca 0.41 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 59.52 1k42 s VAL 105 Cb 0.02 -1.08 0.12 0.00 0.56 0.00 0.00 36.38 36.00 1k42 s VAL 105 CO 0.23 0.28 0.99 -0.83 -0.31 0.00 0.00 175.10 175.46 1k42 s GLY 106 N -0.58 -0.23 0.00 2.32 0.00 -0.50 -2.23 107.32 106.11 1k42 s GLY 106 Ca 0.06 2.36 0.00 0.00 0.00 0.00 0.00 44.72 47.13 1k42 s GLY 106 CO -0.00 1.51 0.00 1.16 0.00 0.00 0.00 173.10 175.77 1k42 n ASN 107 N 1.66 0.00 -0.35 1.64 0.23 -0.91 -1.42 115.26 116.12 1k42 n ASN 107 Ca -0.12 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1k42 n ASN 107 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1k42 n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k42 n GLN 108 N -0.98 0.89 -0.25 -3.83 3.00 -1.26 -2.96 117.38 111.99 1k42 n GLN 108 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1k42 n GLN 108 Cb 0.00 -1.31 0.18 0.00 0.00 0.00 0.00 30.24 29.11 1k42 n GLN 108 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1k42 n SER 109 N -0.12 3.13 -0.68 1.08 2.88 -1.26 -4.93 113.62 113.73 1k42 n SER 109 Ca 0.00 -2.57 -0.09 0.00 -1.33 0.00 0.00 58.87 54.88 1k42 n SER 109 Cb 0.15 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 1k42 n SER 109 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1k42 n PHE 110 N -0.29 0.00 -3.35 0.66 3.72 -1.15 -4.99 117.46 112.05 1k42 n PHE 110 Ca 0.15 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.29 1k42 n PHE 110 Cb 0.63 -2.00 -0.02 0.00 -0.94 0.00 0.00 39.48 37.14 1k42 n PHE 110 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1k42 s GLN 111 N -2.52 3.54 0.02 -1.08 -1.52 -1.26 -4.94 119.66 111.91 1k42 s GLN 111 Ca 0.00 -0.19 0.01 0.00 -1.95 0.00 0.00 55.36 53.23 1k42 s GLN 111 Cb 0.00 -2.66 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 1k42 s GLN 111 CO 0.00 0.17 -0.05 -2.00 -0.25 0.00 0.00 175.29 173.17 1k42 s GLU 112 N -3.99 0.37 -0.00 2.91 2.12 -1.26 -2.13 118.70 116.72 1k42 s GLU 112 Ca 0.42 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 1k42 s GLU 112 Cb -0.10 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.14 1k42 s GLU 112 CO 0.34 0.02 -0.03 0.66 -0.54 0.00 0.00 175.26 175.70 1k42 n TYR 113 N 1.95 0.00 -2.60 5.30 4.01 -0.94 -4.95 117.16 119.92 1k42 n TYR 113 Ca -0.20 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.31 1k42 n TYR 113 Cb 0.56 -0.05 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 1k42 n TYR 113 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1k42 s GLY 114 N -3.35 1.79 -0.30 2.72 0.00 -1.26 -4.97 107.32 101.95 1k42 s GLY 114 Ca -0.03 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 1k42 s GLY 114 CO 0.04 -1.07 1.29 -1.60 0.00 0.00 0.00 173.10 171.75 1k42 s ARG 115 N -4.95 0.04 -0.40 2.90 3.52 -1.26 -2.93 118.95 115.86 1k42 s ARG 115 Ca 0.61 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 56.38 1k42 s ARG 115 Cb -0.08 0.05 0.25 0.00 -1.56 0.00 0.00 34.95 33.61 1k42 s ARG 115 CO 0.41 -0.01 0.55 1.47 -0.81 0.00 0.00 175.30 176.91 1k42 n LEU 116 N 4.61 -0.13 -4.84 -0.88 -0.00 -1.06 -5.00 117.00 109.70 1k42 n LEU 116 Ca -0.07 -4.56 -0.34 0.00 -0.00 0.00 0.00 56.01 51.05 1k42 n LEU 116 Cb 0.56 0.66 -0.06 0.00 -0.00 0.00 0.00 43.42 44.57 1k42 n LEU 116 CO -0.06 2.06 0.38 -1.38 -0.00 0.00 0.00 177.39 178.40 1k42 s HIS 117 N -1.00 3.47 -0.02 1.47 -3.43 -1.26 -3.03 115.29 111.49 1k42 s HIS 117 Ca 0.35 1.22 -0.00 0.00 -0.80 0.00 0.00 55.06 55.82 1k42 s HIS 117 Cb 0.18 -2.52 -0.00 0.00 -1.43 0.00 0.00 32.58 28.81 1k42 s HIS 117 CO -0.12 0.21 0.02 0.39 -2.00 0.00 0.00 174.74 173.23 1k42 n GLU 118 N 0.05 -0.05 -4.48 -0.38 1.02 -1.04 -4.96 120.64 110.81 1k42 n GLU 118 Ca 0.01 0.34 -0.33 0.00 -0.02 0.00 0.00 57.16 57.16 1k42 n GLU 118 Cb 0.52 -1.62 -0.16 0.00 -0.02 0.00 0.00 31.44 30.16 1k42 n GLU 118 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1k42 s GLN 119 N -3.01 3.07 0.33 3.49 -1.52 -0.71 -4.94 119.66 116.37 1k42 s GLN 119 Ca 0.00 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 1k42 s GLN 119 Cb -0.00 -2.54 -0.11 0.00 -0.22 0.00 0.00 33.01 30.15 1k42 s GLN 119 CO 0.02 -0.06 1.40 -0.65 -0.25 0.00 0.00 175.29 175.75 1k42 s GLN 120 N 0.95 4.25 -0.08 2.91 -1.52 -1.26 -3.01 119.66 121.91 1k42 s GLN 120 Ca -0.03 2.37 0.03 0.00 -1.95 0.00 0.00 55.36 55.77 1k42 s GLN 120 Cb -0.15 -3.04 0.01 0.00 -0.22 0.00 0.00 33.01 29.61 1k42 s GLN 120 CO -0.04 -0.36 -0.16 0.42 -0.25 0.00 0.00 175.29 174.90 1k42 s ILE 121 N -0.94 1.43 0.78 1.08 -1.09 0.26 -4.97 121.20 117.75 1k42 s ILE 121 Ca 0.52 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 58.23 1k42 s ILE 121 Cb -0.43 -1.27 0.16 0.00 -1.58 0.00 0.00 42.46 39.35 1k42 s ILE 121 CO 0.55 0.42 1.06 0.35 -1.23 0.00 0.00 174.94 176.09 1k42 n THR 122 N 3.70 0.00 1.25 2.92 -2.24 -1.26 -3.00 114.28 115.65 1k42 n THR 122 Ca -0.22 -1.30 0.12 0.00 -2.27 0.00 0.00 64.05 60.38 1k42 n THR 122 Cb 0.52 -1.13 0.64 0.00 -2.10 0.00 0.00 70.33 68.26 1k42 n THR 122 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k42 n THR 123 N -3.13 0.17 -3.21 4.28 -2.24 -1.26 -2.46 114.28 106.44 1k42 n THR 123 Ca 0.16 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1k42 n THR 123 Cb 0.56 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1k42 n THR 123 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k42 n GLU 124 N -1.21 1.58 -3.31 -0.78 1.02 -1.26 -4.37 120.64 112.30 1k42 n GLU 124 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.87 1k42 n GLU 124 Cb 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.50 1k42 n GLU 124 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1k42 s TRP 125 N 0.50 3.24 -0.23 -0.32 0.52 -1.26 -3.82 118.94 117.56 1k42 s TRP 125 Ca 0.00 0.40 -0.07 0.00 0.02 0.00 0.00 56.10 56.45 1k42 s TRP 125 Cb 0.00 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 1k42 s TRP 125 CO 0.00 -0.32 0.05 -0.65 0.02 0.00 0.00 176.95 176.05 1k42 s GLN 126 N 2.21 3.65 -0.30 4.98 -0.21 -0.64 -4.89 119.66 124.45 1k42 s GLN 126 Ca 0.17 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 1k42 s GLN 126 Cb -0.16 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.62 1k42 s GLN 126 CO 0.10 -0.13 1.09 -1.25 -2.12 0.00 0.00 175.29 172.99 1k42 s PRO 127 N 1.42 4.09 -0.03 2.91 0.04 -1.26 -2.96 135.00 139.21 1k42 s PRO 127 Ca 0.05 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.32 1k42 s PRO 127 Cb -0.15 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 1k42 s PRO 127 CO 0.03 -0.86 -0.24 -0.06 0.04 0.00 0.00 177.00 175.90 1k42 s PHE 128 N 3.62 2.22 0.32 0.56 0.08 -0.70 -4.98 117.98 119.11 1k42 s PHE 128 Ca 0.46 -0.51 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 1k42 s PHE 128 Cb -0.13 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1k42 s PHE 128 CO 0.14 -0.10 0.53 -0.08 -0.10 0.00 0.00 175.22 175.61 1k42 s THR 129 N -0.41 0.00 0.02 0.64 -1.32 -1.26 -1.22 115.64 112.09 1k42 s THR 129 Ca 0.05 -1.44 -0.07 0.00 -1.21 0.00 0.00 61.69 59.02 1k42 s THR 129 Cb -0.11 -2.55 0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1k42 s THR 129 CO 0.01 0.00 0.32 2.22 -2.21 0.00 0.00 174.62 174.95 1k42 n PHE 130 N -0.50 -0.47 -4.26 9.09 1.16 -0.47 -5.00 117.46 117.02 1k42 n PHE 130 Ca -0.01 -0.26 -0.18 0.00 -1.87 0.00 0.00 57.45 55.13 1k42 n PHE 130 Cb 0.61 0.12 -0.11 0.00 -1.61 0.00 0.00 39.48 38.50 1k42 n PHE 130 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1k42 s GLU 131 N -2.01 1.08 -0.28 3.97 2.02 -1.26 -2.04 118.70 120.18 1k42 s GLU 131 Ca 0.07 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.51 1k42 s GLU 131 Cb -0.00 -0.93 0.10 0.00 0.10 0.00 0.00 34.13 33.40 1k42 s GLU 131 CO 0.01 0.17 0.91 -0.59 0.02 0.00 0.00 175.26 175.78 1k42 s PHE 132 N -2.34 -0.61 0.06 1.61 -0.71 -1.18 -4.72 117.98 110.09 1k42 s PHE 132 Ca 0.12 1.46 0.09 0.00 -1.04 0.00 0.00 56.93 57.55 1k42 s PHE 132 Cb -0.04 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1k42 s PHE 132 CO 0.03 -0.29 -0.22 0.99 -1.34 0.00 0.00 175.22 174.39 1k42 s THR 133 N 0.38 2.53 -0.43 -4.49 2.01 -1.26 -2.52 115.64 111.86 1k42 s THR 133 Ca 0.01 -1.37 -0.40 0.00 0.31 0.00 0.00 61.69 60.24 1k42 s THR 133 Cb -0.05 -2.06 -0.16 0.00 0.01 0.00 0.00 72.50 70.24 1k42 s THR 133 CO -0.05 0.28 2.14 0.52 -0.69 0.00 0.00 174.62 176.82 1k42 n VAL 134 N 1.43 0.08 0.17 3.82 0.31 -1.26 -4.80 118.33 118.09 1k42 n VAL 134 Ca -0.17 -0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 1k42 n VAL 134 Cb 0.52 -0.97 -0.08 0.00 -0.91 0.00 0.00 33.84 32.40 1k42 n VAL 134 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1k42 h SER 135 N 10.21 -0.33 0.00 4.52 0.02 -1.96 -3.43 113.55 122.58 1k42 h SER 135 Ca -0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1k42 h SER 135 Cb 1.38 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1k42 h SER 135 CO 1.06 -0.16 0.00 0.47 -1.14 0.00 0.00 176.83 177.06 1k42 n ASP 136 N -5.22 0.00 -2.70 3.07 9.92 -1.26 -5.03 116.55 115.33 1k42 n ASP 136 Ca -0.10 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.10 1k42 n ASP 136 Cb 0.20 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.78 1k42 n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k42 n GLN 137 N 0.00 1.05 -2.99 -1.24 0.00 -1.26 -4.87 117.38 108.07 1k42 n GLN 137 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 57.00 54.90 1k42 n GLN 137 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 30.24 30.10 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k42 s GLU 138 N 0.18 3.75 0.11 2.61 0.41 -1.26 -4.88 118.70 119.61 1k42 s GLU 138 Ca 0.20 0.27 0.27 0.00 -0.41 0.00 0.00 54.97 55.29 1k42 s GLU 138 Cb 0.35 -3.80 1.01 0.00 -1.78 0.00 0.00 34.13 29.90 1k42 s GLU 138 CO -0.08 -0.81 1.83 0.25 -0.49 0.00 0.00 175.26 175.96 1k42 n THR 139 N 5.72 0.35 -4.13 3.63 -2.24 -1.26 -4.58 114.28 111.77 1k42 n THR 139 Ca 0.02 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1k42 n THR 139 Cb 0.48 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 1k42 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k42 s VAL 140 N -3.06 0.41 0.24 2.28 1.01 -1.26 -1.58 120.40 118.44 1k42 s VAL 140 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k42 s VAL 140 Cb 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1k42 s VAL 140 CO 0.54 0.16 0.17 0.27 0.00 0.00 0.00 175.10 176.24 1k42 s ILE 141 N 0.42 0.04 -0.09 2.22 -4.36 -1.10 -4.51 121.20 113.82 1k42 s ILE 141 Ca -0.05 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 1k42 s ILE 141 Cb -0.08 -2.51 0.04 0.00 1.25 0.00 0.00 42.46 41.16 1k42 s ILE 141 CO -0.00 0.00 0.21 0.00 0.24 0.00 0.00 174.94 175.39 1k42 s ARG 142 N -3.96 0.18 -0.45 0.37 1.70 -0.51 -1.82 118.95 114.46 1k42 s ARG 142 Ca 0.39 0.43 -0.15 0.00 -0.47 0.00 0.00 55.73 55.93 1k42 s ARG 142 Cb 0.06 -0.08 0.06 0.00 -0.57 0.00 0.00 34.95 34.42 1k42 s ARG 142 CO 0.16 -0.13 0.36 0.00 -1.08 0.00 0.00 175.30 174.62 1k42 s ALA 143 N 0.95 3.53 -0.42 7.88 0.00 -1.04 -1.40 121.76 131.25 1k42 s ALA 143 Ca -0.07 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 49.60 1k42 s ALA 143 Cb -0.08 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1k42 s ALA 143 CO -0.06 -1.65 1.32 -1.25 0.00 0.00 0.00 175.76 174.12 1k42 s PRO 144 N 1.65 3.65 -0.16 0.00 0.04 -0.90 -1.02 135.00 138.27 1k42 s PRO 144 Ca 0.04 0.85 -0.24 0.00 0.04 0.00 0.00 61.00 61.69 1k42 s PRO 144 Cb -0.23 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1k42 s PRO 144 CO 0.07 -1.47 0.77 0.42 0.04 0.00 0.00 177.00 176.84 1k42 s ILE 145 N 5.03 4.94 0.35 0.56 -1.09 -0.03 -2.98 121.20 127.97 1k42 s ILE 145 Ca 0.57 1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 60.34 1k42 s ILE 145 Cb -0.12 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 1k42 s ILE 145 CO 0.31 0.08 0.78 -1.00 -1.23 0.00 0.00 174.94 173.89 1k42 s HIS 146 N 1.86 3.36 0.09 3.97 3.76 0.03 -0.64 115.29 127.71 1k42 s HIS 146 Ca 0.36 1.29 -0.19 0.00 -0.15 0.00 0.00 55.06 56.38 1k42 s HIS 146 Cb -0.17 -2.60 0.04 0.00 1.11 0.00 0.00 32.58 30.97 1k42 s HIS 146 CO 0.13 0.04 0.46 -0.06 -0.85 0.00 0.00 174.74 174.46 1k42 s PHE 147 N -2.04 -0.31 0.00 1.40 0.40 0.31 -3.13 117.98 114.61 1k42 s PHE 147 Ca 0.56 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 1k42 s PHE 147 Cb -0.10 0.30 0.00 0.00 0.51 0.00 0.00 43.02 43.73 1k42 s PHE 147 CO 0.17 -0.67 0.00 0.41 0.70 0.00 0.00 175.22 175.83 1k42 n GLY 148 N 0.10 0.71 3.45 4.36 0.00 -1.25 -0.94 105.19 111.62 1k42 n GLY 148 Ca -0.17 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1k42 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k42 s TYR 149 N -0.62 2.19 0.40 1.61 2.02 -1.26 -4.50 117.35 117.19 1k42 s TYR 149 Ca 0.00 -0.37 0.13 0.00 -0.37 0.00 0.00 57.07 56.45 1k42 s TYR 149 Cb 0.00 -0.96 0.81 0.00 -0.40 0.00 0.00 41.96 41.41 1k42 s TYR 149 CO 0.00 0.65 1.89 0.00 -1.57 0.00 0.00 175.55 176.52 1k42 h ALA 150 N 2.36 1.50 0.00 3.71 0.00 -1.97 -0.64 119.26 124.22 1k42 h ALA 150 Ca -0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1k42 h ALA 150 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k42 h ALA 150 CO 0.60 0.37 0.00 0.00 0.00 0.00 0.00 179.25 180.22 1k42 n ALA 151 N -2.48 2.12 -0.32 0.00 0.00 -1.26 -2.38 120.51 116.18 1k42 n ALA 151 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1k42 n ALA 151 Cb 0.34 -1.41 0.19 0.00 0.00 0.00 0.00 19.45 18.56 1k42 n ALA 151 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1k42 n ASN 152 N -1.66 3.19 -4.94 0.00 5.15 -0.31 -2.54 115.26 114.16 1k42 n ASN 152 Ca 0.06 -2.16 -0.25 0.00 -0.60 0.00 0.00 54.58 51.63 1k42 n ASN 152 Cb 0.31 -0.30 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 1k42 n ASN 152 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1k42 s VAL 153 N -1.30 3.80 -1.29 3.44 1.01 -0.85 -4.15 120.40 121.07 1k42 s VAL 153 Ca 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1k42 s VAL 153 Cb 0.17 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1k42 s VAL 153 CO 0.16 -0.39 0.27 0.61 0.00 0.00 0.00 175.10 175.75 1k42 n GLY 154 N -2.32 -0.50 3.63 4.51 0.00 -0.48 -4.92 105.19 105.12 1k42 n GLY 154 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1k42 n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k42 s ASN 155 N -2.37 -0.79 -0.23 1.61 -0.87 -1.11 -4.93 114.94 106.24 1k42 s ASN 155 Ca 0.18 1.43 -0.23 0.00 -1.57 0.00 0.00 52.86 52.68 1k42 s ASN 155 Cb -0.09 1.41 -0.01 0.00 -0.02 0.00 0.00 41.25 42.54 1k42 s ASN 155 CO 0.22 -0.24 0.74 -0.89 -2.57 0.00 0.00 177.10 174.37 1k42 s THR 156 N 0.77 4.91 -0.29 1.60 2.01 -1.26 -2.81 115.64 120.58 1k42 s THR 156 Ca -0.03 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 1k42 s THR 156 Cb -0.05 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1k42 s THR 156 CO -0.06 -0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 1k42 s ILE 157 N 2.49 5.16 -0.18 1.82 1.09 0.13 -1.45 121.20 130.27 1k42 s ILE 157 Ca 0.32 0.02 -0.13 0.00 -1.10 0.00 0.00 60.65 59.76 1k42 s ILE 157 Cb -0.16 -3.51 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1k42 s ILE 157 CO 0.09 0.19 0.26 -0.31 -0.10 0.00 0.00 174.94 175.07 1k42 s TYR 158 N 1.73 3.43 0.01 3.97 1.51 -0.11 -1.21 117.35 126.69 1k42 s TYR 158 Ca 0.07 0.52 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 1k42 s TYR 158 Cb -0.16 -2.31 -0.02 0.00 -0.11 0.00 0.00 41.96 39.35 1k42 s TYR 158 CO 0.10 0.22 -0.26 0.42 -1.11 0.00 0.00 175.55 174.92 1k42 s ILE 159 N 0.54 2.05 -0.29 2.71 1.01 -0.83 -1.47 121.20 124.93 1k42 s ILE 159 Ca 0.14 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 1k42 s ILE 159 Cb -0.13 -1.73 0.17 0.00 0.01 0.00 0.00 42.46 40.78 1k42 s ILE 159 CO 0.03 0.47 1.21 -0.62 0.00 0.00 0.00 174.94 176.03 1k42 s ASP 160 N -0.89 -0.25 0.00 3.58 -1.08 -0.50 -1.73 116.67 115.80 1k42 s ASP 160 Ca 0.11 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.59 1k42 s ASP 160 Cb -0.10 0.69 0.00 0.00 -1.46 0.00 0.00 42.92 42.05 1k42 s ASP 160 CO 0.00 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.23 1k42 n GLY 161 N 2.42 1.03 3.56 2.66 0.00 -1.26 -0.75 105.19 112.85 1k42 n GLY 161 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1k42 n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k42 s LEU 162 N 0.00 3.08 0.03 0.99 2.96 -1.23 -3.51 118.68 121.00 1k42 s LEU 162 Ca 0.00 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1k42 s LEU 162 Cb 0.00 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1k42 s LEU 162 CO 0.00 -3.51 -0.11 0.00 -1.32 0.00 0.00 176.35 171.42 1k42 s ALA 163 N 13.87 0.85 -0.20 5.97 0.00 -0.52 -3.81 121.76 137.92 1k42 s ALA 163 Ca 0.95 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1k42 s ALA 163 Cb -0.15 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1k42 s ALA 163 CO 0.15 0.13 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1k42 s ILE 164 N -0.86 1.77 -0.00 0.00 1.01 -1.26 -2.04 121.20 119.81 1k42 s ILE 164 Ca -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1k42 s ILE 164 Cb -0.07 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 1k42 s ILE 164 CO 0.01 0.24 0.05 0.00 0.00 0.00 0.00 174.94 175.24 1k42 s ALA 165 N 1.35 -0.11 0.85 9.38 0.00 -0.81 -1.89 121.76 130.53 1k42 s ALA 165 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1k42 s ALA 165 Cb -0.16 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.17 1k42 s ALA 165 CO -0.09 -0.13 1.18 -1.54 0.00 0.00 0.00 175.76 175.17 1k42 s SER 166 N -0.95 3.78 0.66 0.00 1.04 -1.26 0.10 113.70 117.07 1k42 s SER 166 Ca -0.10 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.33 1k42 s SER 166 Cb -0.06 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.69 1k42 s SER 166 CO 0.00 -2.28 1.05 0.00 0.98 0.00 0.00 173.24 172.99 1k42 s GLN 167 N -5.56 3.20 0.00 4.02 -2.07 -1.26 -4.83 119.66 113.15 1k42 s GLN 167 Ca 0.69 0.91 0.29 0.00 -1.82 0.00 0.00 55.36 55.43 1k42 s GLN 167 Cb -0.05 -2.03 1.72 0.00 -1.09 0.00 0.00 33.01 31.56 1k42 s GLN 167 CO 0.49 -0.89 2.06 -0.35 -1.32 0.00 0.00 175.29 175.28