#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k42 s LEU 2 N 0.00 2.87 0.26 -0.89 1.02 -1.26 -5.11 118.68 115.57 1k42 s LEU 2 Ca 0.00 -0.19 -0.21 0.00 0.02 0.00 0.00 54.13 53.76 1k42 s LEU 2 Cb 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 46.19 44.27 1k42 s LEU 2 CO 0.00 -2.28 0.84 0.54 0.02 0.00 0.00 176.35 175.48 1k42 s VAL 3 N -3.46 0.00 -0.00 -1.59 0.11 -1.26 -5.06 120.40 109.13 1k42 s VAL 3 Ca 0.70 -0.86 -0.24 0.00 -2.93 0.00 0.00 61.98 58.65 1k42 s VAL 3 Cb -0.04 -2.33 -0.16 0.00 -1.53 0.00 0.00 36.38 32.32 1k42 s VAL 3 CO 0.48 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 173.39 1k42 h ALA 4 N 2.00 -0.42 -2.64 1.54 0.00 -1.70 -3.44 119.26 114.60 1k42 h ALA 4 Ca -0.25 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 1k42 h ALA 4 Cb 1.24 0.16 0.07 0.00 0.00 0.00 0.00 17.79 19.26 1k42 h ALA 4 CO 0.30 -0.53 0.45 1.21 0.00 0.00 0.00 179.25 180.67 1k42 s ASN 5 N -5.10 5.86 0.08 0.00 3.84 -1.26 -2.20 114.94 116.16 1k42 s ASN 5 Ca -0.14 2.23 0.06 0.00 0.21 0.00 0.00 52.86 55.22 1k42 s ASN 5 Cb 0.02 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 1k42 s ASN 5 CO 0.51 -1.13 -0.08 -0.63 -2.79 0.00 0.00 177.10 172.98 1k42 s ILE 6 N -1.69 3.50 -1.60 -5.21 -1.09 -1.25 -4.55 121.20 109.31 1k42 s ILE 6 Ca 0.70 -1.12 -0.18 0.00 -2.23 0.00 0.00 60.65 57.82 1k42 s ILE 6 Cb -0.26 -2.61 0.16 0.00 -1.58 0.00 0.00 42.46 38.17 1k42 s ILE 6 CO 0.30 0.18 0.66 0.59 -1.23 0.00 0.00 174.94 175.43 1k42 n ASN 7 N 0.89 -2.89 -0.34 3.58 3.02 -1.26 -4.12 115.26 114.13 1k42 n ASN 7 Ca -0.13 -0.89 0.02 0.00 -0.03 0.00 0.00 54.58 53.54 1k42 n ASN 7 Cb 0.52 -2.41 0.17 0.00 -0.61 0.00 0.00 39.78 37.45 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1k42 h GLY 8 N -1.17 1.44 -1.22 7.41 0.00 -1.80 -1.34 103.07 106.40 1k42 h GLY 8 Ca -0.53 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1k42 h GLY 8 CO 0.73 0.29 0.00 0.61 0.00 0.00 0.00 176.54 178.17 1k42 n GLY 9 N -1.35 3.97 2.83 4.60 0.00 -1.26 -1.47 105.19 112.51 1k42 n GLY 9 Ca 0.15 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.53 -1.74 0.05 1.61 3.01 -0.50 -3.75 117.46 115.60 1k42 n PHE 10 Ca 0.18 0.69 -0.04 0.00 1.01 0.00 0.00 57.45 59.30 1k42 n PHE 10 Cb 0.76 -4.11 -0.09 0.00 -0.01 0.00 0.00 39.48 36.03 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 -1.56 0.00 0.01 -1.08 3.07 -1.85 -3.34 114.58 109.83 1k42 h GLU 11 Ca -0.42 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.16 1k42 h GLU 11 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 1k42 h GLU 11 CO 0.37 0.62 -1.60 0.77 -1.40 0.00 0.00 179.01 177.77 1k42 h SER 12 N 0.00 0.04 -3.26 1.42 0.02 -1.92 -3.45 113.55 106.40 1k42 h SER 12 Ca -0.11 -0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.20 1k42 h SER 12 Cb 1.71 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 64.18 1k42 h SER 12 CO 0.09 1.07 0.50 -0.89 -1.14 0.00 0.00 176.83 176.45 1k42 s THR 13 N -2.61 4.82 0.21 -2.27 2.01 -1.25 -5.01 115.64 111.53 1k42 s THR 13 Ca -0.05 1.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.51 1k42 s THR 13 Cb 0.08 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1k42 s THR 13 CO 0.82 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 173.60 1k42 s PRO 14 N 2.15 4.74 1.00 4.92 0.04 -1.26 -4.94 135.00 141.65 1k42 s PRO 14 Ca 0.43 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1k42 s PRO 14 Cb -0.17 -3.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.94 1k42 s PRO 14 CO 0.14 0.32 -0.85 0.00 0.04 0.00 0.00 177.00 176.65 1k42 n ALA 15 N 1.84 -5.48 0.00 8.56 0.00 -1.26 -4.89 120.51 119.27 1k42 n ALA 15 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1k42 n ALA 15 Cb 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 3.45 4.31 3.72 0.00 0.00 -0.91 -4.94 105.19 110.82 1k42 n GLY 16 Ca -0.02 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.21 2.14 -3.33 1.61 3.14 -1.26 -2.88 118.33 117.53 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 -1.68 -0.06 0.00 -1.06 0.00 0.00 33.84 31.04 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 -1.13 4.83 -0.15 1.55 1.01 -0.34 -4.89 120.40 121.28 1k42 s VAL 18 Ca 0.56 0.89 0.18 0.00 0.00 0.00 0.00 61.98 63.62 1k42 s VAL 18 Cb -0.53 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 31.84 1k42 s VAL 18 CO 0.62 0.27 0.28 1.07 0.00 0.00 0.00 175.10 177.33 1k42 n THR 19 N 0.89 1.11 -3.65 3.92 5.66 -1.26 -4.77 114.28 116.18 1k42 n THR 19 Ca -0.06 -0.77 -0.29 0.00 -3.05 0.00 0.00 64.05 59.89 1k42 n THR 19 Cb 0.52 -0.44 -0.16 0.00 -1.55 0.00 0.00 70.33 68.70 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 -5.37 3.40 0.54 1.09 1.01 -1.26 -4.98 116.67 111.09 1k42 s ASP 20 Ca -0.08 -1.20 0.40 0.00 0.71 0.00 0.00 52.55 52.37 1k42 s ASP 20 Cb 0.08 -0.54 1.59 0.00 1.01 0.00 0.00 42.92 45.05 1k42 s ASP 20 CO 0.84 -0.39 1.74 0.17 0.21 0.00 0.00 175.17 177.74 1k42 h LEU 21 N 8.28 0.02 -0.05 1.23 -0.00 -1.90 0.31 115.31 123.21 1k42 h LEU 21 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1k42 h LEU 21 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1k42 h LEU 21 CO 0.41 -0.00 0.03 0.00 -0.00 0.00 0.00 178.44 178.88 1k42 h ALA 22 N 1.31 0.06 -0.95 0.17 0.00 -1.94 -2.49 119.26 115.43 1k42 h ALA 22 Ca 0.67 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 55.07 1k42 h ALA 22 Cb 2.66 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 20.13 1k42 h ALA 22 CO -0.03 -0.44 0.61 -0.85 0.00 0.00 0.00 179.25 178.54 1k42 n GLU 23 N -5.05 2.27 -0.08 0.00 0.28 0.10 -4.27 120.64 113.88 1k42 n GLU 23 Ca -0.06 -3.06 -0.12 0.00 -0.16 0.00 0.00 57.16 53.76 1k42 n GLU 23 Cb 0.03 -2.16 -0.05 0.00 1.43 0.00 0.00 31.44 30.69 1k42 n GLU 23 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1k42 h GLY 24 N 1.11 0.49 -5.17 -1.84 0.00 -0.84 -3.45 103.07 93.35 1k42 h GLY 24 Ca 0.60 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 1k42 h GLY 24 CO 1.10 0.36 -0.63 0.14 0.00 0.00 0.00 176.54 177.51 1k42 s VAL 25 N -4.80 0.05 0.05 4.60 1.01 -1.00 -5.01 120.40 115.30 1k42 s VAL 25 Ca -0.14 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1k42 s VAL 25 Cb 0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 36.38 36.10 1k42 s VAL 25 CO 0.75 -0.24 1.43 -0.08 0.00 0.00 0.00 175.10 176.96 1k42 h GLU 26 N 5.22 0.32 -0.00 2.72 4.57 -1.93 -2.81 114.58 122.67 1k42 h GLU 26 Ca -0.28 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1k42 h GLU 26 Cb 1.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1k42 h GLU 26 CO 0.44 0.61 -0.05 0.41 -1.18 0.00 0.00 179.01 179.23 1k42 n GLY 27 N -0.08 -1.25 2.84 1.92 0.00 -1.26 -4.62 105.19 102.74 1k42 n GLY 27 Ca -0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.66 0.85 -0.09 1.61 0.52 -1.06 -1.51 118.94 116.60 1k42 s TRP 28 Ca 0.25 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1k42 s TRP 28 Cb 0.20 -0.83 0.01 0.00 -1.15 0.00 0.00 33.47 31.70 1k42 s TRP 28 CO 0.49 -0.31 -0.14 -0.51 0.02 0.00 0.00 176.95 176.50 1k42 s ASP 29 N 1.52 2.21 0.42 2.95 1.11 -0.31 -2.38 116.67 122.18 1k42 s ASP 29 Ca -0.01 -0.38 0.08 0.00 0.18 0.00 0.00 52.55 52.42 1k42 s ASP 29 Cb -0.13 -0.99 -0.02 0.00 1.07 0.00 0.00 42.92 42.85 1k42 s ASP 29 CO -0.04 0.02 0.39 -0.76 1.18 0.00 0.00 175.17 175.97 1k42 s LEU 30 N 0.89 3.40 -0.30 1.23 1.43 -1.05 -1.67 118.68 122.62 1k42 s LEU 30 Ca -0.09 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1k42 s LEU 30 Cb -0.15 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1k42 s LEU 30 CO 0.01 -0.67 0.68 0.20 0.23 0.00 0.00 176.35 176.80 1k42 s ASN 31 N -4.15 -1.07 -0.12 2.29 -0.87 -0.57 -3.74 114.94 106.72 1k42 s ASN 31 Ca 0.49 1.52 -0.05 0.00 -1.57 0.00 0.00 52.86 53.25 1k42 s ASN 31 Cb -0.04 2.06 -0.04 0.00 -0.02 0.00 0.00 41.25 43.21 1k42 s ASN 31 CO 0.28 -0.22 0.07 0.68 -2.57 0.00 0.00 177.10 175.34 1k42 s VAL 32 N 2.57 4.86 0.67 1.60 -7.23 -1.26 -2.64 120.40 118.97 1k42 s VAL 32 Ca -0.07 -0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.02 1k42 s VAL 32 Cb -0.10 -3.11 0.05 0.00 0.56 0.00 0.00 36.38 33.79 1k42 s VAL 32 CO -0.19 0.58 0.97 -0.83 -0.31 0.00 0.00 175.10 175.31 1k42 s GLY 33 N -0.63 1.71 0.29 2.32 0.00 -1.14 -4.91 107.32 104.96 1k42 s GLY 33 Ca 0.11 -0.99 0.20 0.00 0.00 0.00 0.00 44.72 44.05 1k42 s GLY 33 CO 0.02 -0.61 1.62 1.44 0.00 0.00 0.00 173.10 175.57 1k42 n SER 34 N -2.80 0.53 0.05 1.64 7.64 -1.26 -1.35 113.62 118.06 1k42 n SER 34 Ca 0.08 0.74 -0.02 0.00 1.01 0.00 0.00 58.87 60.67 1k42 n SER 34 Cb 0.60 -0.81 0.23 0.00 -1.01 0.00 0.00 64.21 63.22 1k42 n SER 34 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1k42 h SER 35 N 0.00 0.39 -0.53 6.43 4.64 -1.91 -3.38 113.55 119.19 1k42 h SER 35 Ca 0.00 -0.13 -0.22 0.00 -0.47 0.00 0.00 61.79 60.97 1k42 h SER 35 Cb 0.02 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1k42 h SER 35 CO 0.00 0.67 0.61 -0.69 -0.87 0.00 0.00 176.83 176.55 1k42 s VAL 36 N -4.42 3.35 0.40 0.95 1.01 -0.46 -4.67 120.40 116.56 1k42 s VAL 36 Ca -0.06 -0.40 0.16 0.00 0.00 0.00 0.00 61.98 61.68 1k42 s VAL 36 Cb 0.14 -3.95 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1k42 s VAL 36 CO 0.78 -0.69 1.92 0.74 0.00 0.00 0.00 175.10 177.85 1k42 h THR 37 N 7.04 1.09 -3.19 3.92 2.02 -1.86 -3.36 112.91 118.56 1k42 h THR 37 Ca 0.10 -0.93 -0.58 0.00 0.77 0.00 0.00 66.41 65.77 1k42 h THR 37 Cb 0.99 1.51 -0.40 0.00 -1.74 0.00 0.00 68.15 68.51 1k42 h THR 37 CO 1.15 0.26 -0.76 0.21 0.37 0.00 0.00 175.52 176.76 1k42 s ASN 38 N -6.82 3.97 0.48 4.18 2.47 -1.26 -5.12 114.94 112.84 1k42 s ASN 38 Ca -0.03 -1.58 -0.20 0.00 0.42 0.00 0.00 52.86 51.47 1k42 s ASN 38 Cb 0.15 -0.88 -0.09 0.00 -1.45 0.00 0.00 41.25 38.98 1k42 s ASN 38 CO 0.69 -0.40 1.03 -2.16 -3.72 0.00 0.00 177.10 172.55 1k42 s PRO 39 N 1.61 3.83 0.00 0.43 0.04 -1.26 -4.65 135.00 135.00 1k42 s PRO 39 Ca 0.08 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1k42 s PRO 39 Cb -0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1k42 s PRO 39 CO -0.23 -0.40 0.00 -0.35 0.04 0.00 0.00 177.00 176.06 1k42 n PRO 40 N -0.92 0.31 -3.81 0.56 -0.04 -1.26 -4.93 135.00 124.92 1k42 n PRO 40 Ca 0.09 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 1k42 n PRO 40 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 1k42 n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k42 s VAL 41 N -0.55 3.93 -0.40 0.52 1.01 -1.06 -4.82 120.40 119.03 1k42 s VAL 41 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1k42 s VAL 41 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1k42 s VAL 41 CO 0.00 0.31 0.39 -0.36 0.00 0.00 0.00 175.10 175.44 1k42 s PHE 42 N 1.55 3.19 -0.05 5.22 0.08 -1.26 -2.47 117.98 124.23 1k42 s PHE 42 Ca 0.05 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1k42 s PHE 42 Cb -0.15 -2.78 0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1k42 s PHE 42 CO 0.01 -0.60 0.44 -2.00 -0.10 0.00 0.00 175.22 172.96 1k42 s GLU 43 N 2.03 0.76 0.04 0.44 -6.30 -1.14 -1.20 118.70 113.34 1k42 s GLU 43 Ca 0.11 0.06 0.00 0.00 -2.50 0.00 0.00 54.97 52.64 1k42 s GLU 43 Cb -0.17 0.35 -0.04 0.00 0.00 0.00 0.00 34.13 34.27 1k42 s GLU 43 CO 0.12 -0.21 0.14 0.08 0.02 0.00 0.00 175.26 175.42 1k42 s VAL 44 N -1.06 5.03 0.16 3.70 1.01 -1.14 -0.83 120.40 127.27 1k42 s VAL 44 Ca -0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1k42 s VAL 44 Cb -0.03 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1k42 s VAL 44 CO 0.05 0.21 0.35 -1.48 0.00 0.00 0.00 175.10 174.23 1k42 s LEU 45 N -2.23 0.72 -0.30 3.92 -0.00 -0.96 -2.14 118.68 117.68 1k42 s LEU 45 Ca 0.30 -0.71 -0.05 0.00 -0.00 0.00 0.00 54.13 53.67 1k42 s LEU 45 Cb -0.13 1.49 0.03 0.00 -0.00 0.00 0.00 46.19 47.58 1k42 s LEU 45 CO 0.22 -0.92 0.05 -1.61 -0.00 0.00 0.00 176.35 174.09 1k42 s GLU 46 N -3.92 2.82 0.13 1.48 2.02 -1.26 -1.78 118.70 118.20 1k42 s GLU 46 Ca 0.13 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.14 1k42 s GLU 46 Cb 0.02 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1k42 s GLU 46 CO -0.03 -0.53 0.09 0.95 0.02 0.00 0.00 175.26 175.77 1k42 s THR 47 N 1.41 4.37 -0.85 3.63 -4.23 -0.80 -4.96 115.64 114.22 1k42 s THR 47 Ca -0.00 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1k42 s THR 47 Cb -0.18 -3.18 0.33 0.00 1.34 0.00 0.00 72.50 70.82 1k42 s THR 47 CO 0.01 -0.02 1.04 -1.54 -0.54 0.00 0.00 174.62 173.58 1k42 n SER 48 N -0.00 2.82 0.00 3.99 3.41 -1.26 -3.50 113.62 119.07 1k42 n SER 48 Ca -0.09 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1k42 n SER 48 Cb 0.54 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1k42 n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k42 n ASP 49 N 0.28 0.63 -4.35 4.04 2.03 -1.26 -5.09 116.55 112.82 1k42 n ASP 49 Ca 0.11 -1.27 -0.39 0.00 0.52 0.00 0.00 54.79 53.76 1k42 n ASP 49 Cb 0.60 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k42 n ALA 50 N -0.14 -2.20 0.09 -1.67 0.00 -1.23 -4.87 120.51 110.50 1k42 n ALA 50 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1k42 n ALA 50 Cb 0.36 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 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 0.20 0.18 -2.29 0.00 0.13 -1.92 -3.40 132.00 124.90 1k42 h PRO 51 Ca -0.42 -0.26 -0.58 0.00 -0.87 0.00 0.00 66.00 63.87 1k42 h PRO 51 Cb 1.43 0.09 -0.38 0.00 0.13 0.00 0.00 31.00 32.26 1k42 h PRO 51 CO 0.45 1.06 -1.00 -1.91 -0.23 0.00 0.00 178.00 176.37 1k42 n GLU 52 N -3.55 0.37 0.00 0.86 0.00 -1.26 -5.05 120.64 112.01 1k42 n GLU 52 Ca -0.04 -3.23 0.00 0.00 0.00 0.00 0.00 57.16 53.88 1k42 n GLU 52 Cb 0.91 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 30.77 1k42 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k42 n GLY 53 N 2.45 0.17 0.64 8.31 0.00 -1.26 -4.75 105.19 110.75 1k42 n GLY 53 Ca 0.28 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 1k42 n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k42 n ASN 54 N 0.00 -0.19 -3.97 1.61 5.15 -1.26 -4.43 115.26 112.17 1k42 n ASN 54 Ca 0.00 -1.34 -0.14 0.00 -0.60 0.00 0.00 54.58 52.49 1k42 n ASN 54 Cb 0.00 0.04 -0.14 0.00 -0.53 0.00 0.00 39.78 39.15 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k42 s LYS 55 N 0.00 0.40 0.30 1.20 1.02 -1.26 -1.90 119.74 119.49 1k42 s LYS 55 Ca 0.01 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.60 1k42 s LYS 55 Cb 0.01 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1k42 s LYS 55 CO -0.01 0.08 0.49 0.14 -0.92 0.00 0.00 175.35 175.14 1k42 s VAL 56 N -0.46 0.00 -0.47 3.17 -7.23 -0.73 -4.36 120.40 110.32 1k42 s VAL 56 Ca -0.02 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 1k42 s VAL 56 Cb -0.04 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.54 1k42 s VAL 56 CO -0.00 0.00 0.37 -0.22 -0.31 0.00 0.00 175.10 174.94 1k42 s LEU 57 N -3.12 5.63 -0.27 1.32 2.96 -0.66 -2.27 118.68 122.28 1k42 s LEU 57 Ca 0.26 -1.57 -0.27 0.00 -0.22 0.00 0.00 54.13 52.32 1k42 s LEU 57 Cb -0.01 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1k42 s LEU 57 CO 0.14 -0.67 0.97 0.00 -1.32 0.00 0.00 176.35 175.47 1k42 s ALA 58 N 1.53 3.60 0.01 5.97 0.00 -0.01 -1.89 121.76 130.97 1k42 s ALA 58 Ca 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1k42 s ALA 58 Cb -0.25 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1k42 s ALA 58 CO 0.03 -1.17 -0.12 0.08 0.00 0.00 0.00 175.76 174.58 1k42 s VAL 59 N 3.22 3.25 -0.59 0.00 1.01 -0.49 -2.86 120.40 123.94 1k42 s VAL 59 Ca 0.41 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1k42 s VAL 59 Cb -0.14 -2.38 0.15 0.00 0.00 0.00 0.00 36.38 34.01 1k42 s VAL 59 CO 0.10 0.40 0.44 -0.89 0.00 0.00 0.00 175.10 175.16 1k42 s THR 60 N -0.93 4.15 -0.17 3.92 2.01 -1.03 0.16 115.64 123.75 1k42 s THR 60 Ca 0.15 -2.43 -0.21 0.00 0.31 0.00 0.00 61.69 59.52 1k42 s THR 60 Cb -0.11 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1k42 s THR 60 CO 0.06 -0.85 0.62 -0.69 -0.69 0.00 0.00 174.62 173.07 1k42 s VAL 61 N 0.53 5.04 -0.46 3.82 1.01 -1.12 -2.56 120.40 126.66 1k42 s VAL 61 Ca 0.13 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1k42 s VAL 61 Cb -0.20 -3.95 0.31 0.00 0.00 0.00 0.00 36.38 32.54 1k42 s VAL 61 CO -0.04 0.16 1.09 -0.46 0.00 0.00 0.00 175.10 175.85 1k42 n ASN 62 N 4.67 -2.43 0.00 3.32 0.23 -1.26 -1.64 115.26 118.15 1k42 n ASN 62 Ca -0.02 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.40 1k42 n ASN 62 Cb 0.50 1.92 0.00 0.00 -2.08 0.00 0.00 39.78 40.12 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 0.56 0.26 0.76 4.83 0.00 -1.26 -4.86 105.19 105.48 1k42 n GLY 63 Ca 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.44 1.61 0.24 -1.26 -4.58 118.33 110.90 1k42 n VAL 64 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1k42 n VAL 64 Cb 0.00 -1.90 0.00 0.00 -1.47 0.00 0.00 33.84 30.47 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 3.26 5.09 1.32 7.63 0.00 -1.26 -4.77 105.19 116.46 1k42 n GLY 65 Ca 0.03 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.42 1k42 n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k42 n ASN 66 N -1.10 3.81 -4.11 1.61 4.13 -1.26 -4.86 115.26 113.48 1k42 n ASN 66 Ca 0.00 -2.53 -0.17 0.00 1.68 0.00 0.00 54.58 53.57 1k42 n ASN 66 Cb 0.00 -0.59 -0.12 0.00 -1.54 0.00 0.00 39.78 37.53 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1k42 s ASN 67 N -0.53 1.31 0.00 6.41 0.02 -1.26 -5.01 114.94 115.89 1k42 s ASN 67 Ca 0.34 -0.51 0.00 0.00 -1.02 0.00 0.00 52.86 51.66 1k42 s ASN 67 Cb 0.25 -0.04 0.00 0.00 0.02 0.00 0.00 41.25 41.48 1k42 s ASN 67 CO 0.11 -0.08 0.81 -0.81 0.02 0.00 0.00 177.10 177.15 1k42 n PRO 68 N 1.63 0.93 -3.09 -0.60 -0.04 -1.26 -3.91 135.00 128.65 1k42 n PRO 68 Ca -0.20 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.07 1k42 n PRO 68 Cb 0.55 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.36 0.92 0.00 0.54 2.14 -1.26 -4.86 117.44 114.56 1k42 n TRP 69 Ca 0.00 -3.73 -0.00 0.00 2.07 0.00 0.00 57.50 55.84 1k42 n TRP 69 Cb 0.06 -0.42 -0.00 0.00 -0.81 0.00 0.00 31.31 30.14 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 2.99 -0.01 -3.40 -0.67 5.19 -1.68 -3.37 116.42 115.47 1k42 h ASP 70 Ca 0.09 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.87 1k42 h ASP 70 Cb 0.92 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.23 1k42 h ASP 70 CO 0.56 0.01 -0.62 -0.63 -3.12 0.00 0.00 179.24 175.44 1k42 s ILE 71 N -1.26 4.34 -0.10 0.35 1.01 0.13 -2.90 121.20 122.76 1k42 s ILE 71 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1k42 s ILE 71 Cb 0.00 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1k42 s ILE 71 CO 0.00 0.43 -0.21 -0.70 0.00 0.00 0.00 174.94 174.47 1k42 s GLU 72 N 0.75 2.75 -0.32 2.79 2.12 -1.08 0.76 118.70 126.47 1k42 s GLU 72 Ca 0.02 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 1k42 s GLU 72 Cb -0.14 -2.14 0.06 0.00 0.26 0.00 0.00 34.13 32.17 1k42 s GLU 72 CO 0.02 0.10 0.04 0.00 -0.54 0.00 0.00 175.26 174.89 1k42 s ALA 73 N 0.53 2.90 0.31 6.30 0.00 -0.00 -1.50 121.76 130.28 1k42 s ALA 73 Ca -0.15 -1.87 0.10 0.00 0.00 0.00 0.00 51.96 50.03 1k42 s ALA 73 Cb -0.17 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1k42 s ALA 73 CO 0.05 -1.36 -0.02 0.99 0.00 0.00 0.00 175.76 175.43 1k42 s THR 74 N 1.26 2.91 -0.02 0.00 2.01 -0.67 -0.51 115.64 120.63 1k42 s THR 74 Ca -0.03 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.04 1k42 s THR 74 Cb -0.20 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1k42 s THR 74 CO -0.01 -0.29 -0.22 0.00 -0.69 0.00 0.00 174.62 173.42 1k42 s ALA 75 N -2.44 1.79 0.00 7.40 0.00 -0.86 -1.16 121.76 126.48 1k42 s ALA 75 Ca 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1k42 s ALA 75 Cb -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1k42 s ALA 75 CO 0.19 0.44 0.00 1.97 0.00 0.00 0.00 175.76 178.36 1k42 n PHE 76 N 2.53 0.00 -1.99 0.00 1.16 -0.57 -2.56 117.46 116.03 1k42 n PHE 76 Ca -0.15 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.14 1k42 n PHE 76 Cb 0.53 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.47 1k42 n PHE 76 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1k42 s PRO 77 N -2.00 2.24 -0.08 3.97 0.04 -1.26 -4.18 135.00 133.72 1k42 s PRO 77 Ca 0.00 0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.17 1k42 s PRO 77 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1k42 s PRO 77 CO 0.00 -1.36 -0.23 0.08 0.04 0.00 0.00 177.00 175.53 1k42 s VAL 78 N -3.43 1.93 -0.53 -0.36 1.01 -0.75 -3.80 120.40 114.48 1k42 s VAL 78 Ca 0.60 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1k42 s VAL 78 Cb -0.11 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.68 1k42 s VAL 78 CO 0.48 0.53 0.66 0.20 0.00 0.00 0.00 175.10 176.98 1k42 s ASN 79 N 0.23 6.21 0.36 3.32 0.01 -0.94 -2.79 114.94 121.35 1k42 s ASN 79 Ca -0.14 -1.03 0.02 0.00 -0.71 0.00 0.00 52.86 51.00 1k42 s ASN 79 Cb -0.16 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.22 1k42 s ASN 79 CO 0.07 -0.97 0.18 1.33 -1.51 0.00 0.00 177.10 176.19 1k42 n VAL 80 N 5.62 0.00 -4.28 1.60 0.24 -0.71 -4.33 118.33 116.47 1k42 n VAL 80 Ca -0.07 -1.54 -0.18 0.00 -2.04 0.00 0.00 64.34 60.51 1k42 n VAL 80 Cb 0.45 0.01 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1k42 n VAL 80 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1k42 s ARG 81 N -3.43 0.69 -0.54 7.34 3.00 -1.26 -4.65 118.95 120.09 1k42 s ARG 81 Ca 0.13 -0.45 -0.28 0.00 -1.00 0.00 0.00 55.73 54.13 1k42 s ARG 81 Cb -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 34.95 34.32 1k42 s ARG 81 CO 0.08 0.17 1.32 -1.25 0.00 0.00 0.00 175.30 175.62 1k42 s PRO 82 N -0.58 3.44 0.00 5.12 0.04 -1.26 -3.20 135.00 138.56 1k42 s PRO 82 Ca 0.01 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1k42 s PRO 82 Cb -0.05 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1k42 s PRO 82 CO 0.00 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1k42 n GLY 83 N 5.14 1.40 3.84 0.56 0.00 -1.26 -5.07 105.19 109.80 1k42 n GLY 83 Ca 0.12 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.58 4.61 -0.20 1.61 1.01 -1.19 -4.92 120.40 119.73 1k42 s VAL 84 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 1k42 s VAL 84 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1k42 s VAL 84 CO 0.00 -0.20 0.57 -0.89 0.00 0.00 0.00 175.10 174.58 1k42 s THR 85 N -2.01 5.07 0.16 3.92 2.01 -1.26 -3.99 115.64 119.54 1k42 s THR 85 Ca 0.55 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.66 1k42 s THR 85 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1k42 s THR 85 CO 0.17 0.14 0.12 -0.31 -0.69 0.00 0.00 174.62 174.05 1k42 s TYR 86 N 1.79 3.11 0.19 4.92 1.51 -0.54 -4.35 117.35 123.98 1k42 s TYR 86 Ca 0.26 -0.03 0.11 0.00 -1.01 0.00 0.00 57.07 56.39 1k42 s TYR 86 Cb -0.16 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1k42 s TYR 86 CO 0.10 0.52 -0.19 0.99 -1.11 0.00 0.00 175.55 175.86 1k42 s THR 87 N -1.75 2.65 -0.08 -0.71 2.01 -0.06 -2.03 115.64 115.67 1k42 s THR 87 Ca 0.30 -1.91 0.01 0.00 0.31 0.00 0.00 61.69 60.41 1k42 s THR 87 Cb -0.10 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1k42 s THR 87 CO 0.23 -0.12 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.62 1k42 s TYR 88 N -1.69 1.41 0.04 4.92 1.51 -0.73 -0.80 117.35 122.01 1k42 s TYR 88 Ca 0.22 -0.57 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1k42 s TYR 88 Cb -0.08 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1k42 s TYR 88 CO 0.12 -0.33 -0.13 0.99 -1.11 0.00 0.00 175.55 175.08 1k42 s THR 89 N 0.95 1.06 0.14 -0.71 2.01 -0.70 -1.73 115.64 116.66 1k42 s THR 89 Ca -0.09 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 1k42 s THR 89 Cb -0.15 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1k42 s THR 89 CO 0.00 0.00 0.35 -0.51 -0.69 0.00 0.00 174.62 173.78 1k42 s ILE 90 N -0.83 0.08 -0.07 1.82 2.07 -0.22 -1.33 121.20 122.72 1k42 s ILE 90 Ca 0.01 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1k42 s ILE 90 Cb -0.08 -1.41 0.02 0.00 0.13 0.00 0.00 42.46 41.12 1k42 s ILE 90 CO 0.01 -0.35 -0.05 0.26 -1.91 0.00 0.00 174.94 172.90 1k42 s TRP 91 N -3.86 1.01 0.06 3.50 0.52 -0.35 -1.75 118.94 118.08 1k42 s TRP 91 Ca 0.07 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 55.91 1k42 s TRP 91 Cb 0.02 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1k42 s TRP 91 CO -0.08 -0.32 -0.24 0.00 0.02 0.00 0.00 176.95 176.33 1k42 s ALA 92 N 1.34 2.07 0.38 0.98 0.00 -1.14 -1.61 121.76 123.78 1k42 s ALA 92 Ca -0.04 -1.23 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1k42 s ALA 92 Cb -0.14 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1k42 s ALA 92 CO -0.03 0.47 0.71 -0.98 0.00 0.00 0.00 175.76 175.94 1k42 s ARG 93 N -1.41 2.18 0.14 0.00 1.70 -0.66 -1.35 118.95 119.55 1k42 s ARG 93 Ca 0.10 -1.55 -0.17 0.00 -0.47 0.00 0.00 55.73 53.64 1k42 s ARG 93 Cb -0.10 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1k42 s ARG 93 CO 0.03 -0.99 0.43 0.00 -1.08 0.00 0.00 175.30 173.69 1k42 s ALA 94 N -2.43 -0.99 0.27 7.88 0.00 -1.07 -0.44 121.76 124.98 1k42 s ALA 94 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 1k42 s ALA 94 Cb -0.04 0.74 0.52 0.00 0.00 0.00 0.00 23.12 24.34 1k42 s ALA 94 CO 0.14 -0.68 1.81 1.49 0.00 0.00 0.00 175.76 178.53 1k42 h GLU 95 N 2.31 0.82 -5.21 0.00 4.81 -1.52 -3.39 114.58 112.40 1k42 h GLU 95 Ca -0.33 -0.05 -0.44 0.00 -0.13 0.00 0.00 59.36 58.40 1k42 h GLU 95 Cb 1.26 -0.19 -0.26 0.00 0.63 0.00 0.00 28.75 30.19 1k42 h GLU 95 CO 0.45 0.54 -0.80 -0.65 -0.73 0.00 0.00 179.01 177.83 1k42 s GLN 96 N -5.97 0.96 0.61 1.92 -0.21 -1.26 -4.87 119.66 110.83 1k42 s GLN 96 Ca -0.12 -0.62 -0.19 0.00 0.02 0.00 0.00 55.36 54.45 1k42 s GLN 96 Cb 0.22 -0.94 -0.04 0.00 1.00 0.00 0.00 33.01 33.25 1k42 s GLN 96 CO 0.79 0.24 1.11 -0.25 -2.12 0.00 0.00 175.29 175.07 1k42 n ASP 97 N 2.26 1.39 0.00 5.90 9.92 -1.26 -4.33 116.55 130.43 1k42 n ASP 97 Ca -0.16 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1k42 n ASP 97 Cb 0.55 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1k42 n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k42 n GLY 98 N 1.12 1.30 3.21 0.44 0.00 -1.15 -4.97 105.19 105.14 1k42 n GLY 98 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 1.63 0.14 4.61 0.00 -1.23 -4.48 121.76 120.44 1k42 s ALA 99 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.16 1k42 s ALA 99 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1k42 s ALA 99 CO 0.00 0.39 -0.23 0.08 0.00 0.00 0.00 175.76 176.00 1k42 s VAL 100 N -0.58 2.51 0.13 0.00 1.01 -0.97 0.25 120.40 122.75 1k42 s VAL 100 Ca 0.07 -1.74 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 1k42 s VAL 100 Cb -0.08 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1k42 s VAL 100 CO 0.00 0.03 0.32 -0.69 0.00 0.00 0.00 175.10 174.76 1k42 s VAL 101 N -1.27 0.09 -0.09 2.92 1.01 -1.15 -4.55 120.40 117.36 1k42 s VAL 101 Ca 0.17 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1k42 s VAL 101 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1k42 s VAL 101 CO 0.09 -0.39 -0.18 -0.44 0.00 0.00 0.00 175.10 174.18 1k42 s SER 102 N -2.88 2.45 -0.30 3.32 0.01 -1.17 -2.54 113.70 112.59 1k42 s SER 102 Ca 0.08 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1k42 s SER 102 Cb 0.03 -1.12 0.08 0.00 0.21 0.00 0.00 66.02 65.22 1k42 s SER 102 CO -0.07 0.08 -0.00 -0.36 0.41 0.00 0.00 173.24 173.30 1k42 s PHE 103 N 0.62 3.31 0.25 2.43 0.40 -0.88 -1.10 117.98 123.00 1k42 s PHE 103 Ca -0.14 -2.58 0.05 0.00 -0.60 0.00 0.00 56.93 53.66 1k42 s PHE 103 Cb -0.16 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 1k42 s PHE 103 CO 0.04 -0.91 -0.03 0.95 0.70 0.00 0.00 175.22 175.97 1k42 s THR 104 N 1.07 1.34 -0.13 0.64 -4.23 -1.15 -1.76 115.64 111.43 1k42 s THR 104 Ca 0.04 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1k42 s THR 104 Cb -0.19 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1k42 s THR 104 CO -0.08 -0.32 -0.20 0.68 -0.54 0.00 0.00 174.62 174.15 1k42 s VAL 105 N -3.21 1.89 0.53 2.29 -7.23 -1.12 -1.88 120.40 111.67 1k42 s VAL 105 Ca 0.29 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 1k42 s VAL 105 Cb 0.05 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1k42 s VAL 105 CO 0.10 0.52 0.20 -0.83 -0.31 0.00 0.00 175.10 174.77 1k42 s GLY 106 N 0.86 2.74 0.35 2.32 0.00 -0.47 -2.84 107.32 110.28 1k42 s GLY 106 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 43.98 1k42 s GLY 106 CO -0.02 -2.08 0.07 0.21 0.00 0.00 0.00 173.10 171.28 1k42 s ASN 107 N -4.08 2.59 0.14 1.64 2.47 0.25 -2.90 114.94 115.04 1k42 s ASN 107 Ca 0.18 -1.45 -0.18 0.00 0.42 0.00 0.00 52.86 51.82 1k42 s ASN 107 Cb -0.01 0.06 -0.02 0.00 -1.45 0.00 0.00 41.25 39.83 1k42 s ASN 107 CO 0.11 -0.68 1.78 1.56 -3.72 0.00 0.00 177.10 176.14 1k42 h GLN 108 N 2.00 0.30 -0.86 0.43 4.20 -1.85 -0.96 115.11 118.38 1k42 h GLN 108 Ca -0.40 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1k42 h GLN 108 Cb 1.25 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1k42 h GLN 108 CO 0.68 0.20 0.00 0.45 -0.67 0.00 0.00 178.83 179.49 1k42 n SER 109 N -4.95 1.97 0.00 1.46 2.88 -1.26 -4.79 113.62 108.93 1k42 n SER 109 Ca -0.02 -2.19 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1k42 n SER 109 Cb 0.05 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.13 0.00 -2.18 0.66 3.72 -0.36 -4.99 117.46 114.44 1k42 n PHE 110 Ca 0.06 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1k42 n PHE 110 Cb 0.44 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.03 4.25 -0.09 -1.08 -1.52 -1.26 -4.47 119.66 115.47 1k42 s GLN 111 Ca 0.00 2.01 -0.03 0.00 -1.95 0.00 0.00 55.36 55.39 1k42 s GLN 111 Cb 0.00 -3.65 -0.04 0.00 -0.22 0.00 0.00 33.01 29.10 1k42 s GLN 111 CO 0.00 -0.64 0.04 -2.00 -0.25 0.00 0.00 175.29 172.44 1k42 s GLU 112 N 2.75 3.11 -0.01 2.91 2.12 -1.26 0.86 118.70 129.17 1k42 s GLU 112 Ca 0.65 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 1k42 s GLU 112 Cb -0.32 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1k42 s GLU 112 CO 0.27 0.72 -0.03 0.66 -0.54 0.00 0.00 175.26 176.34 1k42 n TYR 113 N 2.03 0.00 -2.98 5.30 4.01 -1.13 -5.00 117.16 119.39 1k42 n TYR 113 Ca -0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 1k42 n TYR 113 Cb 0.54 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.55 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 -3.22 1.90 -0.30 2.72 0.00 -1.26 -4.94 107.32 102.22 1k42 s GLY 114 Ca -0.02 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 42.86 1k42 s GLY 114 CO 0.04 -1.49 0.97 1.09 0.00 0.00 0.00 173.10 173.71 1k42 s ARG 115 N -4.45 0.26 -0.43 2.90 1.04 -1.26 -2.81 118.95 114.20 1k42 s ARG 115 Ca 0.57 0.46 0.06 0.00 -1.04 0.00 0.00 55.73 55.77 1k42 s ARG 115 Cb -0.09 0.25 0.19 0.00 -2.04 0.00 0.00 34.95 33.27 1k42 s ARG 115 CO 0.35 -0.28 0.49 1.47 -0.04 0.00 0.00 175.30 177.29 1k42 n LEU 116 N 5.46 -1.13 -4.85 -1.89 -0.00 -0.72 -5.00 117.00 108.87 1k42 n LEU 116 Ca -0.06 -4.07 -0.23 0.00 -0.00 0.00 0.00 56.01 51.64 1k42 n LEU 116 Cb 0.53 0.63 -0.04 0.00 -0.00 0.00 0.00 43.42 44.54 1k42 n LEU 116 CO -0.08 1.93 -0.15 -1.38 -0.00 0.00 0.00 177.39 177.70 1k42 s HIS 117 N 0.02 3.21 -0.02 1.47 -3.43 -1.26 -2.07 115.29 113.22 1k42 s HIS 117 Ca 0.33 -0.05 -0.01 0.00 -0.80 0.00 0.00 55.06 54.53 1k42 s HIS 117 Cb 0.07 -1.49 0.00 0.00 -1.43 0.00 0.00 32.58 29.74 1k42 s HIS 117 CO -0.16 0.51 0.03 -1.91 -2.00 0.00 0.00 174.74 171.21 1k42 n GLU 118 N -0.91 -0.10 -3.76 -0.38 2.13 -1.05 -4.89 120.64 111.67 1k42 n GLU 118 Ca -0.08 0.57 -0.13 0.00 0.66 0.00 0.00 57.16 58.18 1k42 n GLU 118 Cb 0.56 -1.69 -0.14 0.00 0.27 0.00 0.00 31.44 30.45 1k42 n GLU 118 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1k42 s GLN 119 N -1.36 0.13 0.72 5.31 -1.52 -1.08 -4.99 119.66 116.88 1k42 s GLN 119 Ca 0.01 0.38 -0.14 0.00 -1.95 0.00 0.00 55.36 53.66 1k42 s GLN 119 Cb -0.00 -0.12 0.04 0.00 -0.22 0.00 0.00 33.01 32.70 1k42 s GLN 119 CO 0.03 -0.14 1.14 -0.65 -0.25 0.00 0.00 175.29 175.42 1k42 s GLN 120 N 1.00 2.34 -0.02 2.91 -0.21 -1.26 -2.94 119.66 121.48 1k42 s GLN 120 Ca -0.08 1.48 0.02 0.00 0.02 0.00 0.00 55.36 56.81 1k42 s GLN 120 Cb -0.10 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1k42 s GLN 120 CO -0.05 -1.63 -0.08 0.42 -2.12 0.00 0.00 175.29 171.83 1k42 s ILE 121 N -2.36 0.68 0.72 1.08 -1.09 0.14 -4.92 121.20 115.46 1k42 s ILE 121 Ca 0.68 -0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1k42 s ILE 121 Cb -0.23 -0.61 0.15 0.00 -1.58 0.00 0.00 42.46 40.19 1k42 s ILE 121 CO 0.47 0.21 0.99 0.35 -1.23 0.00 0.00 174.94 175.73 1k42 n THR 122 N 3.22 0.00 0.35 2.92 -2.24 -1.26 -2.94 114.28 114.33 1k42 n THR 122 Ca -0.17 -1.40 0.13 0.00 -2.27 0.00 0.00 64.05 60.34 1k42 n THR 122 Cb 0.55 -1.02 0.55 0.00 -2.10 0.00 0.00 70.33 68.32 1k42 n THR 122 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1k42 h THR 123 N -0.77 0.00 -4.55 4.28 1.35 -1.84 -2.83 112.91 108.55 1k42 h THR 123 Ca -0.33 -0.25 -0.11 0.00 -0.55 0.00 0.00 66.41 65.18 1k42 h THR 123 Cb 1.15 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1k42 h THR 123 CO 0.33 0.00 -0.02 -0.62 -0.25 0.00 0.00 175.52 174.96 1k42 n GLU 124 N -2.40 0.93 -3.28 4.72 1.02 -1.26 -4.24 120.64 116.13 1k42 n GLU 124 Ca 0.01 -0.68 -0.38 0.00 -0.02 0.00 0.00 57.16 56.09 1k42 n GLU 124 Cb 0.22 -0.05 -0.06 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.19 3.68 -0.23 -0.32 0.52 -1.26 -4.09 118.94 117.43 1k42 s TRP 125 Ca 0.13 1.12 -0.07 0.00 0.02 0.00 0.00 56.10 57.31 1k42 s TRP 125 Cb -0.01 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1k42 s TRP 125 CO 0.08 0.39 0.05 -1.14 0.02 0.00 0.00 176.95 176.35 1k42 s GLN 126 N -0.29 3.65 -0.47 4.98 2.00 -0.45 -4.86 119.66 124.21 1k42 s GLN 126 Ca 0.29 -0.49 -0.29 0.00 -2.00 0.00 0.00 55.36 52.87 1k42 s GLN 126 Cb -0.18 -3.25 0.03 0.00 0.80 0.00 0.00 33.01 30.41 1k42 s GLN 126 CO 0.16 -0.13 1.16 -1.25 -0.50 0.00 0.00 175.29 174.73 1k42 s PRO 127 N 1.43 3.71 -0.06 1.67 0.04 -1.26 -2.90 135.00 137.63 1k42 s PRO 127 Ca 0.05 0.59 0.05 0.00 0.04 0.00 0.00 61.00 61.73 1k42 s PRO 127 Cb -0.15 -3.92 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 1k42 s PRO 127 CO 0.03 -1.40 -0.21 -0.06 0.04 0.00 0.00 177.00 175.40 1k42 s PHE 128 N 4.53 2.13 0.33 0.56 0.08 -0.72 -4.98 117.98 119.91 1k42 s PHE 128 Ca 0.49 -0.70 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 1k42 s PHE 128 Cb -0.08 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1k42 s PHE 128 CO 0.32 -0.25 0.55 -0.08 -0.10 0.00 0.00 175.22 175.66 1k42 s THR 129 N 0.08 0.00 0.09 0.64 -1.32 -1.26 -1.06 115.64 112.82 1k42 s THR 129 Ca -0.08 -1.42 -0.25 0.00 -1.21 0.00 0.00 61.69 58.73 1k42 s THR 129 Cb -0.14 -2.58 0.09 0.00 -1.51 0.00 0.00 72.50 68.35 1k42 s THR 129 CO 0.04 0.00 1.15 0.72 -2.21 0.00 0.00 174.62 174.32 1k42 s PHE 130 N -3.13 0.04 0.08 9.09 -0.71 -0.71 -5.00 117.98 117.64 1k42 s PHE 130 Ca 0.25 -0.30 0.03 0.00 -1.04 0.00 0.00 56.93 55.87 1k42 s PHE 130 Cb -0.02 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1k42 s PHE 130 CO 0.16 -0.62 -0.10 -1.21 -1.34 0.00 0.00 175.22 172.11 1k42 s GLU 131 N -2.18 0.76 0.05 1.99 2.02 -1.26 -1.77 118.70 118.31 1k42 s GLU 131 Ca 0.24 -1.04 -0.27 0.00 0.02 0.00 0.00 54.97 53.92 1k42 s GLU 131 Cb -0.01 -0.48 0.09 0.00 0.10 0.00 0.00 34.13 33.82 1k42 s GLU 131 CO 0.02 0.08 0.81 -0.06 0.02 0.00 0.00 175.26 176.13 1k42 s PHE 132 N -2.10 -0.38 0.07 1.61 0.08 -0.86 -4.87 117.98 111.53 1k42 s PHE 132 Ca 0.01 0.21 0.09 0.00 0.12 0.00 0.00 56.93 57.36 1k42 s PHE 132 Cb -0.05 0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 42.92 1k42 s PHE 132 CO 0.00 -0.65 -0.25 0.99 -0.10 0.00 0.00 175.22 175.21 1k42 s THR 133 N -3.31 2.33 -0.22 0.64 2.01 -1.26 -1.46 115.64 114.36 1k42 s THR 133 Ca 0.04 -1.45 -0.31 0.00 0.31 0.00 0.00 61.69 60.28 1k42 s THR 133 Cb -0.01 -1.96 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 1k42 s THR 133 CO -0.09 0.28 2.16 0.52 -0.69 0.00 0.00 174.62 176.79 1k42 n VAL 134 N 1.47 0.36 0.06 3.82 0.31 -1.26 -4.82 118.33 118.26 1k42 n VAL 134 Ca -0.17 -0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 1k42 n VAL 134 Cb 0.52 -2.20 -0.15 0.00 -0.91 0.00 0.00 33.84 31.11 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 13.30 0.54 1.17 4.52 0.02 -1.95 -3.33 113.55 127.81 1k42 h SER 135 Ca -0.38 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.66 1k42 h SER 135 Cb 1.27 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1k42 h SER 135 CO 0.97 1.63 -0.49 -0.78 -1.14 0.00 0.00 176.83 177.03 1k42 h ASP 136 N -0.14 0.00 0.00 3.07 3.58 -1.98 -3.47 116.42 117.48 1k42 h ASP 136 Ca -0.27 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1k42 h ASP 136 Cb 1.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.94 1k42 h ASP 136 CO 0.15 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 1k42 n GLN 137 N -2.40 0.00 -2.38 0.28 1.13 -1.25 -5.01 117.38 107.75 1k42 n GLN 137 Ca 0.03 0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.72 1k42 n GLN 137 Cb 0.47 -2.45 -0.02 0.00 0.11 0.00 0.00 30.24 28.35 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k42 s GLU 138 N -2.78 4.19 0.00 -1.09 0.41 -1.26 -4.66 118.70 113.51 1k42 s GLU 138 Ca 0.00 1.67 0.30 0.00 -0.41 0.00 0.00 54.97 56.52 1k42 s GLU 138 Cb 0.00 -3.80 1.60 0.00 -1.78 0.00 0.00 34.13 30.15 1k42 s GLU 138 CO 0.00 -0.77 2.07 0.25 -0.49 0.00 0.00 175.26 176.32 1k42 n THR 139 N 5.49 0.02 -3.79 3.63 -2.24 -1.26 -4.60 114.28 111.54 1k42 n THR 139 Ca 0.14 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 1k42 n THR 139 Cb 0.45 -0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.38 -0.05 0.24 2.28 1.01 -1.26 -1.74 120.40 118.52 1k42 s VAL 140 Ca 0.34 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1k42 s VAL 140 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.49 1k42 s VAL 140 CO 0.42 0.07 0.29 0.27 0.00 0.00 0.00 175.10 176.15 1k42 s ILE 141 N 0.85 0.00 -0.02 2.22 -4.36 -1.12 -4.49 121.20 114.28 1k42 s ILE 141 Ca -0.07 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1k42 s ILE 141 Cb -0.10 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.20 1k42 s ILE 141 CO -0.02 0.00 0.02 0.00 0.24 0.00 0.00 174.94 175.17 1k42 s ARG 142 N -3.91 0.02 -0.44 0.37 1.70 -1.14 -1.80 118.95 113.75 1k42 s ARG 142 Ca 0.33 0.13 -0.18 0.00 -0.47 0.00 0.00 55.73 55.54 1k42 s ARG 142 Cb 0.03 -0.23 0.03 0.00 -0.57 0.00 0.00 34.95 34.21 1k42 s ARG 142 CO 0.14 -0.12 0.49 0.00 -1.08 0.00 0.00 175.30 174.72 1k42 s ALA 143 N 0.82 3.42 -0.39 7.88 0.00 -1.06 -1.37 121.76 131.07 1k42 s ALA 143 Ca -0.07 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 1k42 s ALA 143 Cb -0.10 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1k42 s ALA 143 CO -0.02 -1.70 1.23 -1.25 0.00 0.00 0.00 175.76 174.03 1k42 s PRO 144 N 2.25 3.80 -0.16 0.00 0.04 -0.79 -2.04 135.00 138.11 1k42 s PRO 144 Ca 0.13 0.92 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 1k42 s PRO 144 Cb -0.18 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1k42 s PRO 144 CO 0.13 -1.27 0.17 0.42 0.04 0.00 0.00 177.00 176.49 1k42 s ILE 145 N 4.52 5.41 0.20 0.56 1.01 0.34 -2.92 121.20 130.32 1k42 s ILE 145 Ca 0.53 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 1k42 s ILE 145 Cb -0.12 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1k42 s ILE 145 CO 0.27 0.51 0.38 -1.00 0.00 0.00 0.00 174.94 175.10 1k42 s HIS 146 N -0.21 3.48 0.09 3.97 3.76 -0.26 -0.82 115.29 125.30 1k42 s HIS 146 Ca 0.12 0.31 -0.19 0.00 -0.15 0.00 0.00 55.06 55.15 1k42 s HIS 146 Cb -0.12 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.79 1k42 s HIS 146 CO 0.02 0.39 0.46 -0.06 -0.85 0.00 0.00 174.74 174.70 1k42 s PHE 147 N -1.87 -0.32 0.00 1.40 0.08 0.23 -3.06 117.98 114.44 1k42 s PHE 147 Ca 0.38 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1k42 s PHE 147 Cb -0.11 0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.65 1k42 s PHE 147 CO 0.29 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.15 1k42 n GLY 148 N 0.11 0.70 3.29 4.36 0.00 -1.25 -0.70 105.19 111.71 1k42 n GLY 148 Ca -0.17 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.81 1.49 0.38 1.61 2.02 -1.26 -4.50 117.35 116.28 1k42 s TYR 149 Ca 0.00 -0.65 0.13 0.00 -0.37 0.00 0.00 57.07 56.17 1k42 s TYR 149 Cb 0.00 -0.72 0.77 0.00 -0.40 0.00 0.00 41.96 41.60 1k42 s TYR 149 CO 0.00 0.22 1.86 0.00 -1.57 0.00 0.00 175.55 176.05 1k42 h ALA 150 N 2.75 1.44 0.00 3.71 0.00 -1.97 -0.81 119.26 124.37 1k42 h ALA 150 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1k42 h ALA 150 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k42 h ALA 150 CO 0.61 0.42 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1k42 n ALA 151 N -2.48 1.74 -0.36 0.00 0.00 -1.26 -1.71 120.51 116.44 1k42 n ALA 151 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1k42 n ALA 151 Cb 0.37 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.75 2.49 -4.90 0.00 5.15 -0.39 -2.29 115.26 113.56 1k42 n ASN 152 Ca 0.03 -2.33 -0.28 0.00 -0.60 0.00 0.00 54.58 51.41 1k42 n ASN 152 Cb 0.21 -0.20 0.02 0.00 -0.53 0.00 0.00 39.78 39.28 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 -1.57 4.28 -1.35 3.44 1.01 -0.69 -3.99 120.40 121.52 1k42 s VAL 153 Ca 0.16 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1k42 s VAL 153 Cb 0.12 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1k42 s VAL 153 CO 0.05 -0.73 0.32 0.61 0.00 0.00 0.00 175.10 175.36 1k42 n GLY 154 N -2.52 -0.50 3.63 4.51 0.00 -0.65 -4.92 105.19 104.74 1k42 n GLY 154 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.44 -0.82 -0.20 1.61 -0.87 -1.04 -4.99 114.94 106.20 1k42 s ASN 155 Ca 0.21 1.45 -0.24 0.00 -1.57 0.00 0.00 52.86 52.70 1k42 s ASN 155 Cb -0.10 1.41 -0.01 0.00 -0.02 0.00 0.00 41.25 42.52 1k42 s ASN 155 CO 0.26 -0.24 0.81 -0.89 -2.57 0.00 0.00 177.10 174.47 1k42 s THR 156 N 0.94 4.88 -0.29 1.60 2.01 -1.26 -2.80 115.64 120.73 1k42 s THR 156 Ca -0.04 1.56 -0.11 0.00 0.31 0.00 0.00 61.69 63.41 1k42 s THR 156 Cb -0.05 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1k42 s THR 156 CO -0.09 0.00 0.18 -0.63 -0.69 0.00 0.00 174.62 173.40 1k42 s ILE 157 N 2.35 5.12 -0.14 1.82 1.01 0.12 -1.33 121.20 130.15 1k42 s ILE 157 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 1k42 s ILE 157 Cb -0.16 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1k42 s ILE 157 CO 0.10 0.19 0.34 -0.31 0.00 0.00 0.00 174.94 175.27 1k42 s TYR 158 N 1.72 3.49 0.01 3.97 1.51 0.42 -1.40 117.35 127.07 1k42 s TYR 158 Ca 0.07 0.68 0.08 0.00 -1.01 0.00 0.00 57.07 56.89 1k42 s TYR 158 Cb -0.16 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1k42 s TYR 158 CO 0.10 0.25 -0.26 0.42 -1.11 0.00 0.00 175.55 174.95 1k42 s ILE 159 N 0.39 2.06 -0.29 2.71 1.01 -0.79 -1.66 121.20 124.63 1k42 s ILE 159 Ca 0.19 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1k42 s ILE 159 Cb -0.14 -1.73 0.17 0.00 0.01 0.00 0.00 42.46 40.77 1k42 s ILE 159 CO 0.06 0.47 1.23 -0.62 0.00 0.00 0.00 174.94 176.08 1k42 s ASP 160 N -0.89 -0.23 0.00 3.58 -1.08 -0.63 -1.65 116.67 115.77 1k42 s ASP 160 Ca 0.11 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 1k42 s ASP 160 Cb -0.10 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.03 1k42 s ASP 160 CO 0.00 -0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.23 1k42 n GLY 161 N 2.39 1.40 3.55 2.66 0.00 -0.54 -1.21 105.19 113.44 1k42 n GLY 161 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1k42 n GLY 161 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k42 n LEU 162 N 0.00 2.13 -4.05 0.99 7.94 -0.98 -3.60 117.00 119.44 1k42 n LEU 162 Ca 0.00 -0.78 -0.16 0.00 -1.11 0.00 0.00 56.01 53.96 1k42 n LEU 162 Cb 0.00 -1.60 -0.13 0.00 0.53 0.00 0.00 43.42 42.22 1k42 n LEU 162 CO 0.00 -1.87 -0.42 0.00 -1.11 0.00 0.00 177.39 173.99 1k42 s ALA 163 N 12.92 0.67 -0.27 1.96 0.00 -0.44 -3.78 121.76 132.81 1k42 s ALA 163 Ca 0.97 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1k42 s ALA 163 Cb -0.18 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 22.95 1k42 s ALA 163 CO 0.22 0.08 -0.08 0.42 0.00 0.00 0.00 175.76 176.40 1k42 s ILE 164 N -0.82 2.24 0.00 0.00 -1.09 -1.26 -1.71 121.20 118.56 1k42 s ILE 164 Ca -0.03 -1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 56.65 1k42 s ILE 164 Cb -0.07 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 1k42 s ILE 164 CO 0.00 -0.12 0.01 0.00 -1.23 0.00 0.00 174.94 173.61 1k42 s ALA 165 N 1.08 -0.01 1.07 9.38 0.00 0.02 -2.70 121.76 130.60 1k42 s ALA 165 Ca -0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1k42 s ALA 165 Cb -0.20 0.05 0.23 0.00 0.00 0.00 0.00 23.12 23.20 1k42 s ALA 165 CO -0.05 -0.09 1.19 -1.54 0.00 0.00 0.00 175.76 175.27 1k42 s SER 166 N -0.72 2.13 -0.02 0.00 1.04 -1.26 -0.88 113.70 113.99 1k42 s SER 166 Ca -0.08 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.67 1k42 s SER 166 Cb -0.05 -0.77 0.05 0.00 0.10 0.00 0.00 66.02 65.35 1k42 s SER 166 CO -0.00 -3.36 0.49 0.00 0.98 0.00 0.00 173.24 171.34 1k42 s GLN 167 N -5.57 0.88 0.00 4.02 1.03 -1.26 -4.79 119.66 113.97 1k42 s GLN 167 Ca 0.71 -0.01 0.29 0.00 0.04 0.00 0.00 55.36 56.38 1k42 s GLN 167 Cb -0.08 0.40 1.72 0.00 0.03 0.00 0.00 33.01 35.08 1k42 s GLN 167 CO 0.54 -0.27 2.06 -0.35 -2.54 0.00 0.00 175.29 174.73