#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 2.00 0.48 -0.89 1.02 -1.26 -5.13 118.68 114.90 1k42 s LEU 2 Ca 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 54.13 53.73 1k42 s LEU 2 Cb 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.95 1k42 s LEU 2 CO 0.00 0.16 0.35 0.54 0.02 0.00 0.00 176.35 177.42 1k42 s VAL 3 N 0.24 2.05 0.05 -1.59 0.11 -1.26 -5.04 120.40 114.95 1k42 s VAL 3 Ca -0.13 -1.49 -0.27 0.00 -2.93 0.00 0.00 61.98 57.16 1k42 s VAL 3 Cb -0.16 -2.54 -0.17 0.00 -1.53 0.00 0.00 36.38 31.98 1k42 s VAL 3 CO 0.06 0.00 1.49 0.00 -3.33 0.00 0.00 175.10 173.32 1k42 h ALA 4 N 0.96 -0.44 -2.24 1.54 0.00 -1.50 -3.43 119.26 114.15 1k42 h ALA 4 Ca -0.39 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 53.90 1k42 h ALA 4 Cb 1.28 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1k42 h ALA 4 CO 0.60 -0.67 0.17 1.21 0.00 0.00 0.00 179.25 180.56 1k42 s ASN 5 N -4.93 6.83 -0.07 0.00 3.84 -1.24 -1.36 114.94 118.02 1k42 s ASN 5 Ca -0.15 1.40 0.02 0.00 0.21 0.00 0.00 52.86 54.35 1k42 s ASN 5 Cb 0.04 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.32 1k42 s ASN 5 CO 0.61 -0.25 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.91 1k42 s ILE 6 N -2.03 1.20 -1.12 -5.21 1.01 -1.24 -4.73 121.20 109.08 1k42 s ILE 6 Ca 0.56 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 1k42 s ILE 6 Cb -0.10 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1k42 s ILE 6 CO 0.16 0.37 0.43 0.59 0.00 0.00 0.00 174.94 176.49 1k42 n ASN 7 N 3.82 -4.82 -0.13 3.58 4.13 -1.26 -3.88 115.26 116.68 1k42 n ASN 7 Ca -0.22 -0.20 0.27 0.00 1.68 0.00 0.00 54.58 56.10 1k42 n ASN 7 Cb 0.52 -3.69 0.58 0.00 -1.54 0.00 0.00 39.78 35.65 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 -0.98 0.00 -5.15 7.41 0.00 -1.83 -1.59 103.07 100.92 1k42 h GLY 8 Ca -0.38 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.68 1k42 h GLY 8 CO 0.41 0.00 -0.91 0.61 0.00 0.00 0.00 176.54 176.65 1k42 n GLY 9 N -1.65 1.66 3.25 4.60 0.00 -1.26 -2.95 105.19 108.84 1k42 n GLY 9 Ca 0.19 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.55 -2.09 0.06 1.61 3.01 -0.60 -3.00 117.46 115.90 1k42 n PHE 10 Ca 0.03 0.87 -0.03 0.00 1.01 0.00 0.00 57.45 59.32 1k42 n PHE 10 Cb 0.83 -4.74 -0.07 0.00 -0.01 0.00 0.00 39.48 35.48 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 -1.65 0.00 0.00 -1.08 4.39 -1.82 -3.33 114.58 111.09 1k42 h GLU 11 Ca -0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1k42 h GLU 11 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1k42 h GLU 11 CO 0.46 0.60 -1.35 0.45 -1.16 0.00 0.00 179.01 178.01 1k42 n SER 12 N -3.15 0.63 -4.77 1.42 2.88 -1.26 -4.90 113.62 104.47 1k42 n SER 12 Ca -0.05 -0.62 -0.36 0.00 -1.33 0.00 0.00 58.87 56.51 1k42 n SER 12 Cb 0.88 1.34 -0.07 0.00 -0.75 0.00 0.00 64.21 65.61 1k42 n SER 12 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1k42 s THR 13 N -3.19 5.40 0.43 2.46 2.01 -1.25 -5.08 115.64 116.42 1k42 s THR 13 Ca 0.02 0.18 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 1k42 s THR 13 Cb 0.15 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1k42 s THR 13 CO 0.88 0.50 1.00 -2.16 -0.69 0.00 0.00 174.62 174.15 1k42 s PRO 14 N -0.11 4.12 1.01 4.92 0.04 -1.26 -4.90 135.00 138.82 1k42 s PRO 14 Ca 0.10 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 1k42 s PRO 14 Cb -0.11 -2.31 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 1k42 s PRO 14 CO 0.00 -0.14 -1.02 0.00 0.04 0.00 0.00 177.00 175.88 1k42 n ALA 15 N -0.46 -5.34 0.00 8.56 0.00 -1.26 -4.92 120.51 117.09 1k42 n ALA 15 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1k42 n ALA 15 Cb 0.52 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 3.21 4.39 3.68 0.00 0.00 -1.16 -4.94 105.19 110.38 1k42 n GLY 16 Ca -0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.46 2.99 -3.07 1.61 3.14 -1.26 -2.77 118.33 118.51 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 -1.46 -0.06 0.00 -1.06 0.00 0.00 33.84 31.26 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 -1.28 4.53 -0.06 1.55 1.01 -0.57 -4.87 120.40 120.71 1k42 s VAL 18 Ca 0.66 1.34 0.14 0.00 0.00 0.00 0.00 61.98 64.11 1k42 s VAL 18 Cb -0.48 -3.87 -0.21 0.00 0.00 0.00 0.00 36.38 31.82 1k42 s VAL 18 CO 0.54 0.20 0.22 0.35 0.00 0.00 0.00 175.10 176.41 1k42 n THR 19 N 0.70 0.35 -3.35 3.92 -2.24 -1.26 -4.83 114.28 107.57 1k42 n THR 19 Ca -0.02 -0.43 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 1k42 n THR 19 Cb 0.51 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1k42 n THR 19 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1k42 s ASP 20 N -4.06 1.42 0.51 3.42 1.11 -1.26 -4.98 116.67 112.83 1k42 s ASP 20 Ca -0.06 -1.92 0.39 0.00 0.18 0.00 0.00 52.55 51.14 1k42 s ASP 20 Cb 0.07 0.31 1.56 0.00 1.07 0.00 0.00 42.92 45.93 1k42 s ASP 20 CO 0.59 -0.24 1.66 0.17 1.18 0.00 0.00 175.17 178.53 1k42 h LEU 21 N 6.73 0.10 -0.06 1.23 8.10 -1.88 1.75 115.31 131.28 1k42 h LEU 21 Ca 0.08 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 1k42 h LEU 21 Cb 1.02 0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 41.28 1k42 h LEU 21 CO 0.22 -0.05 0.01 0.00 -4.11 0.00 0.00 178.44 174.51 1k42 h ALA 22 N 1.32 0.08 -0.93 0.17 0.00 -1.92 -2.41 119.26 115.57 1k42 h ALA 22 Ca 0.78 -0.15 -0.49 0.00 0.00 0.00 0.00 54.91 55.05 1k42 h ALA 22 Cb 2.88 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 20.23 1k42 h ALA 22 CO -0.14 -0.27 -0.89 -0.85 0.00 0.00 0.00 179.25 177.10 1k42 n GLU 23 N -4.89 2.99 -0.02 0.00 0.28 0.20 -4.81 120.64 114.38 1k42 n GLU 23 Ca -0.07 -4.05 -0.02 0.00 -0.16 0.00 0.00 57.16 52.86 1k42 n GLU 23 Cb 0.17 -2.05 -0.01 0.00 1.43 0.00 0.00 31.44 30.98 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 -0.56 -0.64 3.19 -1.84 0.00 0.54 -4.75 105.19 101.13 1k42 n GLY 24 Ca 0.33 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.45 1.99 0.32 1.61 1.01 -1.26 -4.99 120.40 117.63 1k42 s VAL 25 Ca -0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 1k42 s VAL 25 Cb 0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1k42 s VAL 25 CO 0.08 0.54 1.31 -0.70 0.00 0.00 0.00 175.10 176.33 1k42 s GLU 26 N 0.49 4.36 0.00 2.72 2.12 -1.26 -3.00 118.70 124.13 1k42 s GLU 26 Ca -0.16 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1k42 s GLU 26 Cb -0.17 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1k42 s GLU 26 CO 0.06 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1k42 n GLY 27 N 0.99 2.29 2.69 -1.50 0.00 -1.06 -4.59 105.19 104.00 1k42 n GLY 27 Ca 0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.49 0.02 0.02 1.61 0.52 -1.16 -1.26 118.94 117.21 1k42 s TRP 28 Ca 0.00 0.31 0.07 0.00 0.02 0.00 0.00 56.10 56.50 1k42 s TRP 28 Cb 0.00 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.84 1k42 s TRP 28 CO 0.00 -0.20 -0.18 -0.51 0.02 0.00 0.00 176.95 176.08 1k42 s ASP 29 N 2.19 3.81 0.38 2.95 1.11 -0.35 -4.42 116.67 122.34 1k42 s ASP 29 Ca 0.05 -0.39 0.08 0.00 0.18 0.00 0.00 52.55 52.47 1k42 s ASP 29 Cb -0.12 -0.64 -0.07 0.00 1.07 0.00 0.00 42.92 43.16 1k42 s ASP 29 CO -0.03 0.27 -0.00 -0.76 1.18 0.00 0.00 175.17 175.83 1k42 s LEU 30 N -1.30 2.87 -0.29 1.23 1.43 -0.90 -1.07 118.68 120.65 1k42 s LEU 30 Ca 0.14 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 1k42 s LEU 30 Cb -0.10 -1.03 0.11 0.00 0.03 0.00 0.00 46.19 45.19 1k42 s LEU 30 CO 0.04 -0.37 0.67 0.20 0.23 0.00 0.00 176.35 177.12 1k42 s ASN 31 N -3.70 -1.07 -0.12 2.29 0.01 -0.15 -3.84 114.94 108.37 1k42 s ASN 31 Ca 0.35 1.55 -0.03 0.00 -0.71 0.00 0.00 52.86 54.02 1k42 s ASN 31 Cb 0.06 1.96 -0.03 0.00 0.41 0.00 0.00 41.25 43.65 1k42 s ASN 31 CO 0.18 -0.23 0.01 0.68 -1.51 0.00 0.00 177.10 176.24 1k42 s VAL 32 N 2.42 4.37 0.52 1.60 -7.23 -1.26 -2.58 120.40 118.24 1k42 s VAL 32 Ca -0.07 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 59.97 1k42 s VAL 32 Cb -0.09 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 34.02 1k42 s VAL 32 CO -0.19 0.56 0.63 -0.83 -0.31 0.00 0.00 175.10 174.96 1k42 s GLY 33 N -0.47 1.94 0.38 2.32 0.00 -1.17 -4.95 107.32 105.38 1k42 s GLY 33 Ca 0.09 -1.86 0.24 0.00 0.00 0.00 0.00 44.72 43.18 1k42 s GLY 33 CO 0.02 -1.70 1.73 0.23 0.00 0.00 0.00 173.10 173.38 1k42 h SER 34 N 0.46 0.00 -0.50 1.64 0.87 -1.97 -1.23 113.55 112.83 1k42 h SER 34 Ca -0.34 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1k42 h SER 34 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 1k42 h SER 34 CO 0.47 0.00 0.13 0.77 -0.53 0.00 0.00 176.83 177.67 1k42 h SER 35 N 0.00 0.79 -0.59 6.23 4.64 -1.92 -3.36 113.55 119.34 1k42 h SER 35 Ca 0.00 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 60.95 1k42 h SER 35 Cb 0.08 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 1k42 h SER 35 CO 0.00 0.78 0.59 -0.69 -0.87 0.00 0.00 176.83 176.64 1k42 s VAL 36 N -5.21 3.35 0.46 0.95 1.01 -0.47 -3.78 120.40 116.70 1k42 s VAL 36 Ca -0.10 -0.34 0.18 0.00 0.00 0.00 0.00 61.98 61.72 1k42 s VAL 36 Cb 0.15 -3.86 0.22 0.00 0.00 0.00 0.00 36.38 32.90 1k42 s VAL 36 CO 0.80 -0.72 2.04 0.74 0.00 0.00 0.00 175.10 177.96 1k42 h THR 37 N 7.21 0.97 -3.36 3.92 2.02 -1.73 -3.40 112.91 118.54 1k42 h THR 37 Ca 0.09 -0.53 -0.66 0.00 0.77 0.00 0.00 66.41 66.08 1k42 h THR 37 Cb 1.00 1.30 -0.33 0.00 -1.74 0.00 0.00 68.15 68.37 1k42 h THR 37 CO 1.16 0.14 -0.87 0.20 0.37 0.00 0.00 175.52 176.52 1k42 s ASN 38 N -6.78 2.95 -0.14 4.18 -0.87 -1.26 -5.09 114.94 107.93 1k42 s ASN 38 Ca -0.04 -0.53 -0.29 0.00 -1.57 0.00 0.00 52.86 50.43 1k42 s ASN 38 Cb 0.15 -1.34 -0.01 0.00 -0.02 0.00 0.00 41.25 40.03 1k42 s ASN 38 CO 0.66 0.15 1.19 -2.16 -2.57 0.00 0.00 177.10 174.37 1k42 s PRO 39 N 0.36 4.28 0.00 -0.60 0.04 -1.26 -4.74 135.00 133.09 1k42 s PRO 39 Ca -0.18 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1k42 s PRO 39 Cb -0.18 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1k42 s PRO 39 CO 0.08 -0.59 0.00 -0.35 0.04 0.00 0.00 177.00 176.18 1k42 n PRO 40 N 6.06 -0.25 -3.97 0.56 -0.04 -1.26 -4.95 135.00 131.15 1k42 n PRO 40 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 1k42 n PRO 40 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.99 2.95 -0.35 0.52 1.01 -1.09 -4.87 120.40 117.59 1k42 s VAL 41 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1k42 s VAL 41 Cb 0.00 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1k42 s VAL 41 CO 0.00 0.43 0.19 -0.36 0.00 0.00 0.00 175.10 175.35 1k42 s PHE 42 N 1.41 3.22 -0.07 5.22 0.08 -1.26 -2.19 117.98 124.38 1k42 s PHE 42 Ca 0.05 -0.80 -0.27 0.00 0.12 0.00 0.00 56.93 56.03 1k42 s PHE 42 Cb -0.14 -2.41 0.06 0.00 -0.57 0.00 0.00 43.02 39.96 1k42 s PHE 42 CO -0.06 -0.57 0.61 -2.00 -0.10 0.00 0.00 175.22 173.10 1k42 s GLU 43 N 1.58 0.95 0.17 0.44 -6.30 -1.12 -1.51 118.70 112.90 1k42 s GLU 43 Ca 0.03 0.27 -0.09 0.00 -2.50 0.00 0.00 54.97 52.68 1k42 s GLU 43 Cb -0.18 0.45 -0.07 0.00 0.00 0.00 0.00 34.13 34.33 1k42 s GLU 43 CO 0.07 -0.27 0.48 0.08 0.02 0.00 0.00 175.26 175.63 1k42 s VAL 44 N -1.00 5.01 0.04 3.70 1.01 -1.12 -0.73 120.40 127.32 1k42 s VAL 44 Ca -0.10 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1k42 s VAL 44 Cb -0.02 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1k42 s VAL 44 CO 0.08 0.05 -0.10 -0.22 0.00 0.00 0.00 175.10 174.90 1k42 s LEU 45 N -2.54 2.20 -0.17 3.92 0.20 -0.61 -2.96 118.68 118.72 1k42 s LEU 45 Ca 0.42 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.78 1k42 s LEU 45 Cb -0.12 -0.36 0.02 0.00 -0.43 0.00 0.00 46.19 45.30 1k42 s LEU 45 CO 0.21 -0.08 -0.19 -1.83 -0.29 0.00 0.00 176.35 174.18 1k42 s GLU 46 N -1.29 2.81 0.21 1.98 -1.05 -1.26 -1.75 118.70 118.36 1k42 s GLU 46 Ca -0.04 -0.76 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 1k42 s GLU 46 Cb -0.08 -2.44 -0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1k42 s GLU 46 CO 0.01 -0.20 0.23 0.25 0.95 0.00 0.00 175.26 176.50 1k42 n THR 47 N 4.61 0.00 -1.00 1.83 -2.24 -0.98 -4.99 114.28 111.51 1k42 n THR 47 Ca -0.20 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 1k42 n THR 47 Cb 0.50 0.72 0.34 0.00 -2.10 0.00 0.00 70.33 69.79 1k42 n THR 47 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k42 n SER 48 N -2.02 5.14 -0.00 3.42 7.64 -1.26 -4.14 113.62 122.40 1k42 n SER 48 Ca 0.03 -3.11 0.03 0.00 1.01 0.00 0.00 58.87 56.83 1k42 n SER 48 Cb 0.37 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1k42 n SER 48 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k42 n ASP 49 N 0.12 1.66 -4.68 6.43 -0.08 -1.26 -5.02 116.55 113.73 1k42 n ASP 49 Ca 0.35 -0.37 -0.40 0.00 -1.51 0.00 0.00 54.79 52.85 1k42 n ASP 49 Cb 1.29 1.14 0.02 0.00 2.34 0.00 0.00 41.12 45.91 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k42 n ALA 50 N -1.41 1.01 0.07 -1.67 0.00 -1.26 -4.91 120.51 112.34 1k42 n ALA 50 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1k42 n ALA 50 Cb 0.14 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.22 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 1.63 0.48 -4.10 0.00 0.13 -1.92 -3.41 132.00 124.81 1k42 h PRO 51 Ca -0.48 -0.69 -0.74 0.00 -0.87 0.00 0.00 66.00 63.22 1k42 h PRO 51 Cb 1.31 0.24 -0.29 0.00 0.13 0.00 0.00 31.00 32.39 1k42 h PRO 51 CO 0.57 1.30 -0.28 -1.21 -0.23 0.00 0.00 178.00 178.15 1k42 s GLU 52 N -2.80 2.74 7.55 0.86 0.41 -1.26 -4.95 118.70 121.25 1k42 s GLU 52 Ca -0.11 -1.97 0.00 0.00 -0.41 0.00 0.00 54.97 52.48 1k42 s GLU 52 Cb 0.04 -4.04 0.00 0.00 -1.78 0.00 0.00 34.13 28.35 1k42 s GLU 52 CO 0.89 -1.23 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 1k42 n GLY 53 N 4.63 2.23 2.43 -1.39 0.00 -1.26 -4.09 105.19 107.74 1k42 n GLY 53 Ca -0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1k42 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k42 n ASN 54 N 9.26 -1.40 -3.80 1.61 0.23 -1.26 -4.61 115.26 115.28 1k42 n ASN 54 Ca 0.00 -2.18 -0.13 0.00 -0.53 0.00 0.00 54.58 51.74 1k42 n ASN 54 Cb 0.00 0.63 -0.12 0.00 -2.08 0.00 0.00 39.78 38.21 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1k42 s LYS 55 N 0.11 0.20 0.30 -3.83 1.02 -1.26 -2.33 119.74 113.95 1k42 s LYS 55 Ca 0.08 0.26 -0.08 0.00 0.02 0.00 0.00 55.97 56.25 1k42 s LYS 55 Cb 0.39 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.77 1k42 s LYS 55 CO -0.11 -0.04 0.48 0.14 -0.92 0.00 0.00 175.35 174.90 1k42 s VAL 56 N 0.20 0.00 -0.51 3.17 -7.23 -0.72 -4.42 120.40 110.89 1k42 s VAL 56 Ca -0.01 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 1k42 s VAL 56 Cb -0.02 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.55 1k42 s VAL 56 CO -0.00 0.00 0.46 -0.22 -0.31 0.00 0.00 175.10 175.02 1k42 s LEU 57 N -3.13 5.94 -0.17 1.32 2.96 -0.68 -1.58 118.68 123.33 1k42 s LEU 57 Ca 0.26 -1.59 -0.27 0.00 -0.22 0.00 0.00 54.13 52.31 1k42 s LEU 57 Cb -0.00 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1k42 s LEU 57 CO 0.14 -0.77 0.94 0.00 -1.32 0.00 0.00 176.35 175.34 1k42 s ALA 58 N 1.63 3.54 0.03 5.97 0.00 0.09 -1.94 121.76 131.09 1k42 s ALA 58 Ca 0.04 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.22 1k42 s ALA 58 Cb -0.27 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1k42 s ALA 58 CO 0.05 -0.77 -0.21 0.08 0.00 0.00 0.00 175.76 174.91 1k42 s VAL 59 N 2.45 2.57 -0.75 0.00 1.01 -0.21 -2.81 120.40 122.66 1k42 s VAL 59 Ca 0.42 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1k42 s VAL 59 Cb -0.16 -2.04 0.19 0.00 0.00 0.00 0.00 36.38 34.36 1k42 s VAL 59 CO 0.12 0.38 0.62 -0.89 0.00 0.00 0.00 175.10 175.32 1k42 s THR 60 N -0.85 4.39 -0.14 3.92 2.01 -0.93 0.02 115.64 124.05 1k42 s THR 60 Ca 0.13 -3.05 -0.24 0.00 0.31 0.00 0.00 61.69 58.84 1k42 s THR 60 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1k42 s THR 60 CO 0.04 -0.97 0.76 -0.69 -0.69 0.00 0.00 174.62 173.06 1k42 s VAL 61 N -0.33 4.95 -0.43 3.82 1.01 -1.06 -2.66 120.40 125.71 1k42 s VAL 61 Ca 0.20 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1k42 s VAL 61 Cb -0.15 -4.08 0.35 0.00 0.00 0.00 0.00 36.38 32.51 1k42 s VAL 61 CO -0.07 0.11 1.23 -0.46 0.00 0.00 0.00 175.10 175.91 1k42 n ASN 62 N 4.78 -2.14 0.00 3.32 0.23 -1.26 -2.19 115.26 118.00 1k42 n ASN 62 Ca 0.02 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 50.94 1k42 n ASN 62 Cb 0.50 1.52 0.00 0.00 -2.08 0.00 0.00 39.78 39.71 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 -0.08 -0.87 0.52 4.83 0.00 -1.26 -4.81 105.19 103.52 1k42 n GLY 63 Ca 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.33 1.61 0.24 -1.26 -4.06 118.33 111.54 1k42 n VAL 64 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1k42 n VAL 64 Cb 0.00 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 30.53 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 3.84 4.91 0.02 7.63 0.00 -1.25 -4.13 105.19 116.22 1k42 n GLY 65 Ca 0.02 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.94 0.11 -4.60 1.61 5.15 -1.26 -4.75 115.26 110.57 1k42 n ASN 66 Ca 0.00 0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 54.18 1k42 n ASN 66 Cb 0.00 -0.54 -0.10 0.00 -0.53 0.00 0.00 39.78 38.61 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 -3.20 4.61 0.00 1.20 -0.87 -1.26 -4.99 114.94 110.43 1k42 s ASN 67 Ca 0.12 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1k42 s ASN 67 Cb 0.17 -1.05 0.00 0.00 -0.02 0.00 0.00 41.25 40.35 1k42 s ASN 67 CO 0.50 0.26 0.78 -0.81 -2.57 0.00 0.00 177.10 175.26 1k42 n PRO 68 N 1.38 0.95 -2.72 -0.60 -0.04 -1.26 -3.82 135.00 128.89 1k42 n PRO 68 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1k42 n PRO 68 Cb 0.52 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.31 1.45 -0.04 0.54 2.14 -1.26 -4.54 117.44 115.41 1k42 n TRP 69 Ca 0.00 -3.03 -0.13 0.00 2.07 0.00 0.00 57.50 56.41 1k42 n TRP 69 Cb 0.09 -0.34 -0.12 0.00 -0.81 0.00 0.00 31.31 30.13 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 2.94 -0.01 -3.81 -0.67 3.32 -1.64 -3.43 116.42 113.12 1k42 h ASP 70 Ca -0.00 -0.78 -0.64 0.00 0.02 0.00 0.00 57.03 55.63 1k42 h ASP 70 Cb 1.09 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.45 1k42 h ASP 70 CO 0.56 0.78 -0.56 -0.63 -1.72 0.00 0.00 179.24 177.68 1k42 s ILE 71 N -3.02 4.95 -0.09 0.35 1.09 0.43 -3.02 121.20 121.88 1k42 s ILE 71 Ca -0.17 0.04 0.03 0.00 -1.10 0.00 0.00 60.65 59.45 1k42 s ILE 71 Cb -0.01 -3.35 0.01 0.00 -1.06 0.00 0.00 42.46 38.05 1k42 s ILE 71 CO 0.67 0.28 -0.19 -0.70 -0.10 0.00 0.00 174.94 174.90 1k42 s GLU 72 N 1.71 2.51 -0.23 2.79 2.56 -1.07 0.23 118.70 127.20 1k42 s GLU 72 Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 54.97 54.34 1k42 s GLU 72 Cb -0.16 -1.97 0.07 0.00 2.00 0.00 0.00 34.13 34.07 1k42 s GLU 72 CO 0.08 0.08 0.01 0.00 -0.56 0.00 0.00 175.26 174.87 1k42 s ALA 73 N 0.57 1.53 0.34 6.30 0.00 -0.52 -0.97 121.76 129.00 1k42 s ALA 73 Ca -0.15 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.72 1k42 s ALA 73 Cb -0.17 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1k42 s ALA 73 CO 0.05 -1.27 0.36 0.99 0.00 0.00 0.00 175.76 175.89 1k42 s THR 74 N 1.61 3.71 -0.05 0.00 2.01 -0.23 -0.61 115.64 122.07 1k42 s THR 74 Ca -0.01 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 60.82 1k42 s THR 74 Cb -0.18 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1k42 s THR 74 CO -0.10 -0.16 -0.23 0.00 -0.69 0.00 0.00 174.62 173.44 1k42 s ALA 75 N -2.26 2.25 -0.11 7.40 0.00 -0.30 -1.21 121.76 127.52 1k42 s ALA 75 Ca 0.43 -1.06 -0.33 0.00 0.00 0.00 0.00 51.96 51.00 1k42 s ALA 75 Cb -0.07 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.48 1k42 s ALA 75 CO 0.28 0.46 1.20 -0.59 0.00 0.00 0.00 175.76 177.12 1k42 s PHE 76 N -0.35 -0.12 0.74 0.00 -0.12 -0.39 -2.25 117.98 115.50 1k42 s PHE 76 Ca 0.02 0.03 -0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1k42 s PHE 76 Cb -0.12 0.53 0.07 0.00 -0.63 0.00 0.00 43.02 42.87 1k42 s PHE 76 CO 0.02 -0.27 1.07 -1.25 -0.05 0.00 0.00 175.22 174.74 1k42 s PRO 77 N -2.50 2.05 0.13 1.99 0.04 -1.26 -2.57 135.00 132.87 1k42 s PRO 77 Ca 0.11 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.01 1k42 s PRO 77 Cb 0.01 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1k42 s PRO 77 CO -0.04 -1.39 -0.13 0.08 0.04 0.00 0.00 177.00 175.56 1k42 s VAL 78 N -3.36 1.26 -0.08 -0.36 1.01 -0.49 -3.71 120.40 114.67 1k42 s VAL 78 Ca 0.61 -1.81 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1k42 s VAL 78 Cb -0.10 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1k42 s VAL 78 CO 0.46 -0.52 -0.23 0.20 0.00 0.00 0.00 175.10 175.01 1k42 s ASN 79 N -2.66 2.90 0.14 3.32 -0.87 -0.46 -2.74 114.94 114.56 1k42 s ASN 79 Ca 0.11 -0.51 0.03 0.00 -1.57 0.00 0.00 52.86 50.92 1k42 s ASN 79 Cb -0.03 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.25 40.07 1k42 s ASN 79 CO 0.02 0.17 0.13 1.33 -2.57 0.00 0.00 177.10 176.18 1k42 n VAL 80 N 3.34 0.00 -4.07 1.60 0.24 -0.66 -4.39 118.33 114.39 1k42 n VAL 80 Ca -0.19 -1.00 -0.14 0.00 -2.04 0.00 0.00 64.34 60.98 1k42 n VAL 80 Cb 0.53 0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 33.27 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 -2.55 0.40 -0.43 7.34 3.52 -1.26 -4.70 118.95 121.27 1k42 s ARG 81 Ca 0.16 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 1k42 s ARG 81 Cb 0.01 -0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.15 1k42 s ARG 81 CO 0.12 0.06 1.29 -1.25 -0.81 0.00 0.00 175.30 174.71 1k42 s PRO 82 N -0.79 3.66 0.00 5.12 0.04 -1.26 -3.27 135.00 138.51 1k42 s PRO 82 Ca -0.05 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1k42 s PRO 82 Cb -0.06 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1k42 s PRO 82 CO -0.00 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1k42 n GLY 83 N 4.92 2.31 3.84 0.56 0.00 -1.26 -5.06 105.19 110.50 1k42 n GLY 83 Ca 0.15 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.16 4.62 0.01 1.61 1.01 -1.20 -4.99 120.40 120.30 1k42 s VAL 84 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 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 -0.19 0.37 -0.89 0.00 0.00 0.00 175.10 174.38 1k42 s THR 85 N -2.00 5.12 0.42 3.92 2.01 -1.26 -4.28 115.64 119.57 1k42 s THR 85 Ca 0.55 0.62 0.06 0.00 0.31 0.00 0.00 61.69 63.24 1k42 s THR 85 Cb -0.10 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1k42 s THR 85 CO 0.17 0.49 0.01 -0.31 -0.69 0.00 0.00 174.62 174.29 1k42 s TYR 86 N -1.17 2.45 0.18 4.92 1.51 -0.67 -4.51 117.35 120.06 1k42 s TYR 86 Ca 0.25 -0.70 0.10 0.00 -1.01 0.00 0.00 57.07 55.72 1k42 s TYR 86 Cb -0.15 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1k42 s TYR 86 CO 0.14 0.42 -0.19 0.99 -1.11 0.00 0.00 175.55 175.79 1k42 s THR 87 N -2.73 2.63 -0.08 -0.71 2.01 0.09 -2.37 115.64 114.49 1k42 s THR 87 Ca 0.32 -1.88 -0.01 0.00 0.31 0.00 0.00 61.69 60.43 1k42 s THR 87 Cb 0.09 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.35 1k42 s THR 87 CO 0.16 -0.10 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.51 1k42 s TYR 88 N -1.63 0.86 0.03 4.92 6.14 -0.65 -2.41 117.35 124.60 1k42 s TYR 88 Ca 0.22 -0.30 0.02 0.00 0.64 0.00 0.00 57.07 57.65 1k42 s TYR 88 Cb -0.08 -0.90 -0.02 0.00 0.42 0.00 0.00 41.96 41.38 1k42 s TYR 88 CO 0.11 -0.37 -0.08 0.99 0.64 0.00 0.00 175.55 176.85 1k42 s THR 89 N 1.88 0.54 0.16 4.34 2.01 -0.96 -1.44 115.64 122.17 1k42 s THR 89 Ca 0.04 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 1k42 s THR 89 Cb -0.12 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1k42 s THR 89 CO -0.06 -0.24 0.37 -0.51 -0.69 0.00 0.00 174.62 173.49 1k42 s ILE 90 N -1.05 0.06 -0.08 1.82 2.07 -0.27 -1.53 121.20 122.23 1k42 s ILE 90 Ca -0.06 -1.03 0.01 0.00 -1.41 0.00 0.00 60.65 58.15 1k42 s ILE 90 Cb -0.08 -1.59 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1k42 s ILE 90 CO 0.00 -0.28 -0.07 0.26 -1.91 0.00 0.00 174.94 172.94 1k42 s TRP 91 N -3.90 1.22 0.12 3.50 0.52 0.16 -1.72 118.94 118.85 1k42 s TRP 91 Ca 0.11 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.82 1k42 s TRP 91 Cb 0.02 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1k42 s TRP 91 CO -0.04 -0.35 -0.15 0.00 0.02 0.00 0.00 176.95 176.43 1k42 s ALA 92 N 1.24 2.79 -0.30 0.98 0.00 -1.16 -1.40 121.76 123.92 1k42 s ALA 92 Ca -0.05 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 1k42 s ALA 92 Cb -0.14 -0.73 0.14 0.00 0.00 0.00 0.00 23.12 22.39 1k42 s ALA 92 CO -0.02 0.60 0.81 0.50 0.00 0.00 0.00 175.76 177.64 1k42 s ARG 93 N -2.24 0.47 0.42 0.00 3.52 -0.72 -1.57 118.95 118.83 1k42 s ARG 93 Ca 0.20 1.09 0.08 0.00 -0.13 0.00 0.00 55.73 56.97 1k42 s ARG 93 Cb -0.11 0.57 -0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1k42 s ARG 93 CO 0.12 -0.15 0.49 0.00 -0.81 0.00 0.00 175.30 174.95 1k42 s ALA 94 N 2.47 4.34 0.00 6.12 0.00 -1.09 -0.95 121.76 132.65 1k42 s ALA 94 Ca -0.05 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.90 1k42 s ALA 94 Cb -0.08 -1.37 -0.14 0.00 0.00 0.00 0.00 23.12 21.52 1k42 s ALA 94 CO -0.18 -0.26 1.04 1.49 0.00 0.00 0.00 175.76 177.85 1k42 h GLU 95 N 0.80 -0.78 -6.18 0.00 4.57 -1.49 -3.37 114.58 108.13 1k42 h GLU 95 Ca -0.40 0.05 -0.68 0.00 -1.18 0.00 0.00 59.36 57.15 1k42 h GLU 95 Cb 1.27 0.18 -0.17 0.00 -0.16 0.00 0.00 28.75 29.87 1k42 h GLU 95 CO 0.50 -0.49 -0.68 -0.65 -1.18 0.00 0.00 179.01 176.51 1k42 s GLN 96 N -4.43 2.71 0.49 1.92 1.11 -1.26 -4.68 119.66 115.52 1k42 s GLN 96 Ca -0.13 -0.60 -0.23 0.00 0.01 0.00 0.00 55.36 54.41 1k42 s GLN 96 Cb 0.01 -2.59 -0.07 0.00 -1.01 0.00 0.00 33.01 29.35 1k42 s GLN 96 CO 0.41 0.64 1.29 -0.40 0.01 0.00 0.00 175.29 177.25 1k42 n ASP 97 N 1.90 2.52 0.00 5.90 5.68 -1.26 -4.28 116.55 127.01 1k42 n ASP 97 Ca -0.17 1.03 0.00 0.00 -0.50 0.00 0.00 54.79 55.15 1k42 n ASP 97 Cb 0.53 -1.53 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1k42 n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k42 n GLY 98 N 0.81 1.81 3.21 6.12 0.00 -1.11 -4.99 105.19 111.04 1k42 n GLY 98 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 1.83 0.05 4.61 0.00 -1.23 -4.48 121.76 120.54 1k42 s ALA 99 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1k42 s ALA 99 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1k42 s ALA 99 CO 0.00 0.38 -0.08 0.08 0.00 0.00 0.00 175.76 176.14 1k42 s VAL 100 N -0.22 3.55 -0.04 0.00 1.01 -1.07 0.17 120.40 123.80 1k42 s VAL 100 Ca 0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1k42 s VAL 100 Cb -0.11 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1k42 s VAL 100 CO 0.02 0.27 0.53 -0.69 0.00 0.00 0.00 175.10 175.23 1k42 s VAL 101 N -1.09 0.02 -0.02 2.92 1.01 -1.16 -4.65 120.40 117.42 1k42 s VAL 101 Ca 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1k42 s VAL 101 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1k42 s VAL 101 CO 0.10 -0.10 -0.19 -0.44 0.00 0.00 0.00 175.10 174.47 1k42 s SER 102 N -1.23 2.25 -0.31 3.32 0.01 -1.18 -0.80 113.70 115.75 1k42 s SER 102 Ca -0.12 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 56.82 1k42 s SER 102 Cb -0.02 -0.36 0.09 0.00 0.21 0.00 0.00 66.02 65.93 1k42 s SER 102 CO 0.08 0.21 -0.00 -0.36 0.41 0.00 0.00 173.24 173.58 1k42 s PHE 103 N -0.31 3.57 0.43 2.43 0.40 -0.89 -1.50 117.98 122.10 1k42 s PHE 103 Ca 0.04 -2.77 0.07 0.00 -0.60 0.00 0.00 56.93 53.67 1k42 s PHE 103 Cb -0.09 -2.59 -0.06 0.00 0.51 0.00 0.00 43.02 40.80 1k42 s PHE 103 CO 0.00 -0.92 0.10 0.95 0.70 0.00 0.00 175.22 176.04 1k42 s THR 104 N 0.98 2.04 0.32 0.64 -4.23 -1.14 -2.58 115.64 111.68 1k42 s THR 104 Ca 0.05 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 58.80 1k42 s THR 104 Cb -0.19 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 1k42 s THR 104 CO -0.07 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.58 1k42 s VAL 105 N -2.68 2.18 -0.26 2.29 -7.23 -1.01 -1.64 120.40 112.06 1k42 s VAL 105 Ca 0.35 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1k42 s VAL 105 Cb 0.06 -2.56 0.18 0.00 0.56 0.00 0.00 36.38 34.62 1k42 s VAL 105 CO 0.19 -0.25 1.27 -0.83 -0.31 0.00 0.00 175.10 175.17 1k42 s GLY 106 N -3.57 0.03 0.00 2.32 0.00 -0.95 -2.59 107.32 102.56 1k42 s GLY 106 Ca 0.32 2.72 0.00 0.00 0.00 0.00 0.00 44.72 47.76 1k42 s GLY 106 CO 0.15 1.21 0.00 1.16 0.00 0.00 0.00 173.10 175.62 1k42 n ASN 107 N 0.74 0.00 -0.42 1.64 0.23 -0.90 -2.22 115.26 114.33 1k42 n ASN 107 Ca -0.04 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 1k42 n ASN 107 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 -0.96 0.94 -0.16 -3.83 6.02 -1.26 -3.03 117.38 115.08 1k42 n GLN 108 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1k42 n GLN 108 Cb 0.00 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.00 1k42 n GLN 108 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1k42 n SER 109 N -0.05 2.79 -0.09 1.08 2.88 -1.26 -4.93 113.62 114.04 1k42 n SER 109 Ca 0.00 -2.17 -0.01 0.00 -1.33 0.00 0.00 58.87 55.36 1k42 n SER 109 Cb 0.20 -0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.06 0.00 -2.92 0.66 3.72 -1.17 -5.01 117.46 112.81 1k42 n PHE 110 Ca 0.10 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.27 1k42 n PHE 110 Cb 0.45 -0.72 0.01 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.93 3.09 0.02 -1.08 -1.52 -1.26 -4.93 119.66 113.05 1k42 s GLN 111 Ca 0.00 -0.39 0.05 0.00 -1.95 0.00 0.00 55.36 53.07 1k42 s GLN 111 Cb 0.00 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.25 1k42 s GLN 111 CO 0.00 -0.29 -0.16 -2.00 -0.25 0.00 0.00 175.29 172.59 1k42 s GLU 112 N -4.60 1.19 0.00 2.91 2.12 -1.26 -2.13 118.70 116.93 1k42 s GLU 112 Ca 0.48 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1k42 s GLU 112 Cb -0.10 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.10 1k42 s GLU 112 CO 0.39 0.31 0.00 0.66 -0.54 0.00 0.00 175.26 176.08 1k42 n TYR 113 N 2.28 0.00 -4.14 5.30 4.01 -1.07 -4.89 117.16 118.64 1k42 n TYR 113 Ca -0.16 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.33 1k42 n TYR 113 Cb 0.54 -0.06 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.70 2.36 -0.04 2.72 0.00 -1.26 -4.98 107.32 104.42 1k42 s GLY 114 Ca 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 44.72 42.63 1k42 s GLY 114 CO 0.00 -1.93 0.14 1.09 0.00 0.00 0.00 173.10 172.41 1k42 s ARG 115 N -3.92 0.24 0.15 2.90 1.70 -1.26 -2.39 118.95 116.37 1k42 s ARG 115 Ca 0.40 0.06 -0.13 0.00 -0.47 0.00 0.00 55.73 55.59 1k42 s ARG 115 Cb 0.04 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1k42 s ARG 115 CO 0.22 -0.04 0.36 -0.48 -1.08 0.00 0.00 175.30 174.28 1k42 s LEU 116 N -0.26 0.66 0.00 -1.89 2.34 -1.06 -5.02 118.68 113.45 1k42 s LEU 116 Ca -0.03 -0.57 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1k42 s LEU 116 Cb -0.03 1.59 0.00 0.00 -0.56 0.00 0.00 46.19 47.19 1k42 s LEU 116 CO 0.00 -0.89 0.00 1.57 -1.06 0.00 0.00 176.35 175.98 1k42 n HIS 117 N -0.22 -0.19 -0.19 3.48 -0.00 -1.26 -2.10 115.22 114.75 1k42 n HIS 117 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 1k42 n HIS 117 Cb 0.63 0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 1k42 n HIS 117 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1k42 n GLU 118 N 0.00 0.00 -0.81 1.57 1.02 0.02 -4.85 120.64 117.58 1k42 n GLU 118 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1k42 n GLU 118 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1k42 n GLU 118 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k42 n GLN 119 N -1.18 0.89 -1.38 3.49 6.02 -1.25 -4.85 117.38 119.12 1k42 n GLN 119 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1k42 n GLN 119 Cb 0.04 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.39 1k42 n GLN 119 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1k42 s GLN 120 N -0.22 2.28 -0.00 -1.09 -0.21 -1.26 -3.00 119.66 116.16 1k42 s GLN 120 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 55.36 56.76 1k42 s GLN 120 Cb 0.00 -1.89 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 1k42 s GLN 120 CO 0.00 -1.65 -0.10 0.42 -2.12 0.00 0.00 175.29 171.85 1k42 s ILE 121 N -2.59 0.76 0.91 1.08 -1.09 0.44 -4.87 121.20 115.84 1k42 s ILE 121 Ca 0.65 -0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 58.48 1k42 s ILE 121 Cb -0.20 -0.64 0.21 0.00 -1.58 0.00 0.00 42.46 40.24 1k42 s ILE 121 CO 0.50 0.18 1.24 0.35 -1.23 0.00 0.00 174.94 175.98 1k42 n THR 122 N 2.74 0.00 1.72 2.92 -2.24 -1.26 -2.74 114.28 115.42 1k42 n THR 122 Ca -0.14 -1.06 0.14 0.00 -2.27 0.00 0.00 64.05 60.72 1k42 n THR 122 Cb 0.57 -1.41 0.67 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.62 0.03 -3.19 4.28 -2.24 -1.26 -2.66 114.28 105.61 1k42 n THR 123 Ca 0.16 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1k42 n THR 123 Cb 0.57 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.37 1.25 -3.54 -0.78 1.02 -1.26 -4.39 120.64 112.56 1k42 n GLU 124 Ca 0.20 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.96 1k42 n GLU 124 Cb 0.22 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.61 3.29 -0.24 -0.32 0.52 -1.26 -3.83 118.94 117.71 1k42 s TRP 125 Ca 0.00 0.31 -0.07 0.00 0.02 0.00 0.00 56.10 56.36 1k42 s TRP 125 Cb 0.00 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 1k42 s TRP 125 CO 0.00 -0.07 0.05 -1.14 0.02 0.00 0.00 176.95 175.81 1k42 s GLN 126 N 1.49 3.64 -0.47 4.98 0.74 -0.61 -4.89 119.66 124.55 1k42 s GLN 126 Ca 0.11 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 1k42 s GLN 126 Cb -0.15 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.73 1k42 s GLN 126 CO 0.08 -0.14 1.12 -1.25 -0.55 0.00 0.00 175.29 174.55 1k42 s PRO 127 N 1.46 3.73 -0.08 1.67 0.04 -1.26 -2.99 135.00 137.57 1k42 s PRO 127 Ca 0.05 0.57 0.03 0.00 0.04 0.00 0.00 61.00 61.70 1k42 s PRO 127 Cb -0.15 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 1k42 s PRO 127 CO 0.03 -1.35 -0.17 -0.06 0.04 0.00 0.00 177.00 175.49 1k42 s PHE 128 N 4.37 2.66 0.33 0.56 0.08 -0.70 -4.96 117.98 120.32 1k42 s PHE 128 Ca 0.47 -0.53 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 1k42 s PHE 128 Cb -0.08 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1k42 s PHE 128 CO 0.30 -0.09 0.54 -0.08 -0.10 0.00 0.00 175.22 175.79 1k42 s THR 129 N -0.14 0.00 -0.16 0.64 -1.32 -1.26 -1.11 115.64 112.29 1k42 s THR 129 Ca -0.02 -1.43 -0.35 0.00 -1.21 0.00 0.00 61.69 58.68 1k42 s THR 129 Cb -0.14 -2.59 0.15 0.00 -1.51 0.00 0.00 72.50 68.41 1k42 s THR 129 CO 0.04 0.00 1.36 0.72 -2.21 0.00 0.00 174.62 174.53 1k42 s PHE 130 N -3.12 -0.03 -0.11 9.09 -0.71 -0.52 -4.99 117.98 117.59 1k42 s PHE 130 Ca 0.26 0.00 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 1k42 s PHE 130 Cb -0.01 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1k42 s PHE 130 CO 0.16 -0.09 0.08 -1.21 -1.34 0.00 0.00 175.22 172.82 1k42 s GLU 131 N -2.15 3.33 0.05 1.99 2.02 -1.26 -1.64 118.70 121.04 1k42 s GLU 131 Ca 0.13 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1k42 s GLU 131 Cb 0.03 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 1k42 s GLU 131 CO -0.04 0.70 -0.04 -0.59 0.02 0.00 0.00 175.26 175.30 1k42 s PHE 132 N -0.83 0.56 0.02 1.61 -0.12 -1.00 -4.98 117.98 113.24 1k42 s PHE 132 Ca 0.13 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.24 1k42 s PHE 132 Cb -0.12 -0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 1k42 s PHE 132 CO 0.03 -0.24 -0.12 0.99 -0.05 0.00 0.00 175.22 175.83 1k42 s THR 133 N -2.85 0.95 -0.39 -4.49 2.01 -1.26 -1.68 115.64 107.94 1k42 s THR 133 Ca -0.00 -0.81 -0.38 0.00 0.31 0.00 0.00 61.69 60.81 1k42 s THR 133 Cb 0.00 -0.85 -0.14 0.00 0.01 0.00 0.00 72.50 71.52 1k42 s THR 133 CO -0.05 0.05 2.16 0.52 -0.69 0.00 0.00 174.62 176.61 1k42 n VAL 134 N 2.18 0.14 0.12 3.82 0.31 -1.26 -4.80 118.33 118.84 1k42 n VAL 134 Ca -0.17 -0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 1k42 n VAL 134 Cb 0.55 -1.30 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 1k42 n VAL 134 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1k42 h SER 135 N 11.26 -0.20 0.00 4.52 0.87 -1.97 -3.43 113.55 124.60 1k42 h SER 135 Ca -0.23 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1k42 h SER 135 Cb 1.35 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1k42 h SER 135 CO 1.04 -0.12 0.00 0.47 -0.53 0.00 0.00 176.83 177.69 1k42 n ASP 136 N -5.18 0.00 -2.71 6.23 9.92 -1.26 -5.04 116.55 118.50 1k42 n ASP 136 Ca -0.09 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.09 1k42 n ASP 136 Cb 0.13 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.71 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 1.06 -3.21 -1.24 10.64 -1.26 -4.87 117.38 118.50 1k42 n GLN 137 Ca 0.00 -1.83 -0.42 0.00 -1.83 0.00 0.00 57.00 52.92 1k42 n GLN 137 Cb 0.00 -0.57 -0.08 0.00 -0.86 0.00 0.00 30.24 28.74 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1k42 s GLU 138 N 0.23 3.53 0.25 2.61 0.41 -1.26 -4.89 118.70 119.58 1k42 s GLU 138 Ca 0.22 -0.21 0.26 0.00 -0.41 0.00 0.00 54.97 54.82 1k42 s GLU 138 Cb 0.33 -3.84 0.75 0.00 -1.78 0.00 0.00 34.13 29.59 1k42 s GLU 138 CO -0.07 -0.73 1.75 1.79 -0.49 0.00 0.00 175.26 177.51 1k42 h THR 139 N 5.67 0.00 -3.48 3.63 1.35 -1.94 -3.42 112.91 114.72 1k42 h THR 139 Ca -0.27 -0.55 -0.40 0.00 -0.55 0.00 0.00 66.41 64.63 1k42 h THR 139 Cb 1.12 1.54 -0.34 0.00 -1.73 0.00 0.00 68.15 68.74 1k42 h THR 139 CO 0.80 0.00 -0.77 -0.69 -0.25 0.00 0.00 175.52 174.61 1k42 s VAL 140 N -3.13 0.52 0.23 6.82 1.01 -1.26 -1.65 120.40 122.94 1k42 s VAL 140 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1k42 s VAL 140 Cb 0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1k42 s VAL 140 CO 0.60 0.22 0.18 0.27 0.00 0.00 0.00 175.10 176.37 1k42 s ILE 141 N 0.85 0.00 -0.06 2.22 -4.36 -1.11 -4.59 121.20 114.16 1k42 s ILE 141 Ca -0.11 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 1k42 s ILE 141 Cb -0.14 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.11 1k42 s ILE 141 CO 0.00 0.00 0.14 0.00 0.24 0.00 0.00 174.94 175.33 1k42 s ARG 142 N -3.97 0.12 -0.44 0.37 1.70 -0.94 -1.40 118.95 114.39 1k42 s ARG 142 Ca 0.39 0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 55.75 1k42 s ARG 142 Cb 0.06 -0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.37 1k42 s ARG 142 CO 0.16 -0.11 0.63 0.00 -1.08 0.00 0.00 175.30 174.90 1k42 s ALA 143 N 0.78 3.35 -0.41 7.88 0.00 -0.96 -2.25 121.76 130.15 1k42 s ALA 143 Ca -0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1k42 s ALA 143 Cb -0.08 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1k42 s ALA 143 CO -0.04 -1.78 1.28 -1.25 0.00 0.00 0.00 175.76 173.97 1k42 s PRO 144 N 2.78 3.71 0.04 0.00 0.04 -0.65 -1.15 135.00 139.77 1k42 s PRO 144 Ca 0.22 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1k42 s PRO 144 Cb -0.14 -3.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.39 1k42 s PRO 144 CO 0.19 -1.39 0.51 0.42 0.04 0.00 0.00 177.00 176.77 1k42 s ILE 145 N 4.81 4.86 0.08 0.56 -1.09 0.22 -2.89 121.20 127.75 1k42 s ILE 145 Ca 0.55 1.08 0.05 0.00 -2.23 0.00 0.00 60.65 60.10 1k42 s ILE 145 Cb -0.12 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1k42 s ILE 145 CO 0.30 0.55 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.54 1k42 s HIS 146 N -0.98 2.96 0.03 3.97 3.76 -0.56 -1.44 115.29 123.02 1k42 s HIS 146 Ca 0.27 -0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.95 1k42 s HIS 146 Cb -0.18 -1.53 0.04 0.00 1.11 0.00 0.00 32.58 32.01 1k42 s HIS 146 CO 0.17 0.47 0.43 -0.06 -0.85 0.00 0.00 174.74 174.90 1k42 s PHE 147 N -1.28 -0.31 0.00 1.40 0.40 0.14 -3.13 117.98 115.20 1k42 s PHE 147 Ca 0.25 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1k42 s PHE 147 Cb -0.12 0.24 0.00 0.00 0.51 0.00 0.00 43.02 43.65 1k42 s PHE 147 CO 0.17 -0.56 0.00 0.41 0.70 0.00 0.00 175.22 175.94 1k42 n GLY 148 N 0.61 0.49 3.60 4.36 0.00 -1.26 -0.43 105.19 112.57 1k42 n GLY 148 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.84 2.51 0.35 1.61 2.02 -1.26 -4.40 117.35 117.34 1k42 s TYR 149 Ca 0.00 -0.41 0.20 0.00 -0.37 0.00 0.00 57.07 56.49 1k42 s TYR 149 Cb 0.00 -1.38 1.01 0.00 -0.40 0.00 0.00 41.96 41.20 1k42 s TYR 149 CO 0.00 0.54 1.92 0.00 -1.57 0.00 0.00 175.55 176.44 1k42 h ALA 150 N 1.90 1.31 0.00 3.71 0.00 -1.98 -1.34 119.26 122.86 1k42 h ALA 150 Ca -0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1k42 h ALA 150 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k42 h ALA 150 CO 0.66 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.22 1k42 n ALA 151 N -2.37 1.98 -0.16 0.00 0.00 -1.26 -1.83 120.51 116.88 1k42 n ALA 151 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1k42 n ALA 151 Cb 0.34 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.68 1k42 n ALA 151 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k42 n ASN 152 N -1.36 3.20 -4.90 0.00 4.13 -0.51 -2.61 115.26 113.21 1k42 n ASN 152 Ca 0.08 -1.97 -0.28 0.00 1.68 0.00 0.00 54.58 54.09 1k42 n ASN 152 Cb 0.18 -0.29 -0.01 0.00 -1.54 0.00 0.00 39.78 38.12 1k42 n ASN 152 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1k42 s VAL 153 N -1.03 4.91 -1.39 2.41 1.01 -0.76 -4.04 120.40 121.51 1k42 s VAL 153 Ca 0.31 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 1k42 s VAL 153 Cb 0.16 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1k42 s VAL 153 CO 0.22 -0.73 0.57 0.61 0.00 0.00 0.00 175.10 175.77 1k42 n GLY 154 N -1.96 -0.50 3.63 4.51 0.00 -0.93 -4.90 105.19 105.04 1k42 n GLY 154 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.76 -0.75 -0.23 1.61 0.01 -1.11 -4.97 114.94 106.74 1k42 s ASN 155 Ca 0.39 1.43 -0.18 0.00 -0.71 0.00 0.00 52.86 53.79 1k42 s ASN 155 Cb -0.20 1.44 -0.03 0.00 0.41 0.00 0.00 41.25 42.88 1k42 s ASN 155 CO 0.48 -0.25 0.51 -0.89 -1.51 0.00 0.00 177.10 175.45 1k42 s THR 156 N 0.47 5.09 -0.27 1.60 2.01 -1.26 -2.56 115.64 120.73 1k42 s THR 156 Ca -0.01 0.91 -0.10 0.00 0.31 0.00 0.00 61.69 62.81 1k42 s THR 156 Cb -0.05 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1k42 s THR 156 CO -0.01 0.14 0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 1k42 s ILE 157 N 1.92 4.90 -0.08 1.82 1.01 0.10 -1.28 121.20 129.60 1k42 s ILE 157 Ca 0.23 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1k42 s ILE 157 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1k42 s ILE 157 CO 0.09 0.28 0.15 -0.31 0.00 0.00 0.00 174.94 175.16 1k42 s TYR 158 N 1.70 3.58 -0.01 3.97 1.51 -0.13 -1.05 117.35 126.92 1k42 s TYR 158 Ca 0.07 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1k42 s TYR 158 Cb -0.16 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1k42 s TYR 158 CO 0.08 0.70 -0.08 0.42 -1.11 0.00 0.00 175.55 175.56 1k42 s ILE 159 N -1.13 0.69 -0.29 2.71 1.01 -0.82 -1.75 121.20 121.62 1k42 s ILE 159 Ca 0.19 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 1k42 s ILE 159 Cb -0.12 -0.60 0.16 0.00 0.01 0.00 0.00 42.46 41.92 1k42 s ILE 159 CO 0.09 0.21 1.20 -0.62 0.00 0.00 0.00 174.94 175.82 1k42 s ASP 160 N -0.03 -0.26 0.00 3.58 -1.08 -0.50 -1.69 116.67 116.69 1k42 s ASP 160 Ca 0.01 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1k42 s ASP 160 Cb -0.05 0.70 0.00 0.00 -1.46 0.00 0.00 42.92 42.11 1k42 s ASP 160 CO -0.00 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1k42 n GLY 161 N 2.43 0.30 3.55 2.66 0.00 -1.21 -0.66 105.19 112.26 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 2.09 -4.11 0.99 -0.00 -1.15 -3.44 117.00 111.38 1k42 n LEU 162 Ca 0.00 -0.77 -0.19 0.00 -0.00 0.00 0.00 56.01 55.05 1k42 n LEU 162 Cb 0.00 -1.58 -0.13 0.00 -0.00 0.00 0.00 43.42 41.70 1k42 n LEU 162 CO 0.00 -1.86 -0.45 0.00 -0.00 0.00 0.00 177.39 175.08 1k42 s ALA 163 N 12.81 1.00 -0.07 1.96 0.00 -0.58 -3.52 121.76 133.37 1k42 s ALA 163 Ca 0.98 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 1k42 s ALA 163 Cb -0.19 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1k42 s ALA 163 CO 0.22 0.18 -0.04 0.42 0.00 0.00 0.00 175.76 176.54 1k42 s ILE 164 N -0.82 0.58 -0.10 0.00 1.01 -1.26 -2.27 121.20 118.34 1k42 s ILE 164 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1k42 s ILE 164 Cb -0.07 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.81 1k42 s ILE 164 CO 0.01 0.27 0.59 0.00 0.00 0.00 0.00 174.94 175.81 1k42 s ALA 165 N 1.42 -1.51 0.29 9.38 0.00 -1.01 -1.58 121.76 128.75 1k42 s ALA 165 Ca -0.03 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.27 1k42 s ALA 165 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1k42 s ALA 165 CO -0.03 -0.33 0.15 0.45 0.00 0.00 0.00 175.76 176.00 1k42 s SER 166 N -0.77 5.05 0.31 0.00 0.15 -1.26 -0.73 113.70 116.44 1k42 s SER 166 Ca -0.08 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 55.94 1k42 s SER 166 Cb -0.02 -1.04 -0.08 0.00 -1.71 0.00 0.00 66.02 63.17 1k42 s SER 166 CO 0.06 -0.14 0.67 -1.10 1.20 0.00 0.00 173.24 173.94 1k42 s GLN 167 N -3.83 3.86 0.00 5.44 1.11 -1.26 -4.98 119.66 120.00 1k42 s GLN 167 Ca 0.35 0.45 0.29 0.00 0.01 0.00 0.00 55.36 56.46 1k42 s GLN 167 Cb -0.06 -2.51 1.71 0.00 -1.01 0.00 0.00 33.01 31.15 1k42 s GLN 167 CO 0.23 0.17 2.05 -0.35 0.01 0.00 0.00 175.29 177.41