#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 3.43 0.47 -0.89 1.43 -1.26 -5.13 118.68 116.72 1k42 s LEU 2 Ca 0.00 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1k42 s LEU 2 Cb 0.00 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1k42 s LEU 2 CO 0.00 0.04 0.52 0.54 0.23 0.00 0.00 176.35 177.68 1k42 s VAL 3 N -1.97 2.49 -0.03 -1.59 0.11 -1.26 -5.06 120.40 113.09 1k42 s VAL 3 Ca 0.30 -1.20 -0.17 0.00 -2.93 0.00 0.00 61.98 57.98 1k42 s VAL 3 Cb -0.08 -2.69 -0.10 0.00 -1.53 0.00 0.00 36.38 31.98 1k42 s VAL 3 CO 0.21 0.00 0.69 0.00 -3.33 0.00 0.00 175.10 172.66 1k42 h ALA 4 N 0.71 -0.54 -2.49 1.54 0.00 -1.50 -3.43 119.26 113.55 1k42 h ALA 4 Ca -0.38 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 1k42 h ALA 4 Cb 1.28 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1k42 h ALA 4 CO 0.51 -0.51 0.69 1.21 0.00 0.00 0.00 179.25 181.14 1k42 s ASN 5 N -4.95 6.92 -0.09 0.00 3.84 -1.24 -2.58 114.94 116.84 1k42 s ASN 5 Ca -0.09 2.17 -0.02 0.00 0.21 0.00 0.00 52.86 55.13 1k42 s ASN 5 Cb 0.01 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 1k42 s ASN 5 CO 0.28 -0.60 -0.01 -0.63 -2.79 0.00 0.00 177.10 173.34 1k42 s ILE 6 N 1.37 4.17 -1.06 -5.21 1.09 -1.25 -4.36 121.20 115.94 1k42 s ILE 6 Ca 0.62 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1k42 s ILE 6 Cb -0.33 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 1k42 s ILE 6 CO 0.29 0.59 0.00 0.59 -0.10 0.00 0.00 174.94 176.31 1k42 n ASN 7 N 2.36 -4.73 -0.08 3.58 4.13 -1.26 -3.78 115.26 115.47 1k42 n ASN 7 Ca -0.18 0.25 0.01 0.00 1.68 0.00 0.00 54.58 56.33 1k42 n ASN 7 Cb 0.53 -3.11 0.31 0.00 -1.54 0.00 0.00 39.78 35.97 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 0.76 -3.36 7.41 0.00 -1.76 -1.45 103.07 104.67 1k42 h GLY 8 Ca -0.20 -0.34 -0.34 0.00 0.00 0.00 0.00 47.33 46.44 1k42 h GLY 8 CO 0.30 0.33 0.36 0.61 0.00 0.00 0.00 176.54 178.14 1k42 n GLY 9 N -1.22 4.36 3.89 4.60 0.00 -1.26 -3.59 105.19 111.96 1k42 n GLY 9 Ca 0.04 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.87 -1.82 0.07 1.61 3.01 -0.54 -4.28 117.46 114.64 1k42 n PHE 10 Ca 0.47 0.80 -0.17 0.00 1.01 0.00 0.00 57.45 59.57 1k42 n PHE 10 Cb 1.42 -3.93 -0.14 0.00 -0.01 0.00 0.00 39.48 36.82 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 -1.85 0.26 0.00 -1.08 4.39 -1.80 -3.33 114.58 111.17 1k42 h GLU 11 Ca -0.62 -0.45 -0.12 0.00 0.34 0.00 0.00 59.36 58.52 1k42 h GLU 11 Cb 1.37 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 1k42 h GLU 11 CO 0.62 1.14 -0.89 1.03 -1.16 0.00 0.00 179.01 179.75 1k42 h SER 12 N 0.07 0.00 -3.08 1.42 0.87 -1.90 -3.44 113.55 107.49 1k42 h SER 12 Ca -0.23 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.76 1k42 h SER 12 Cb 2.02 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.93 1k42 h SER 12 CO 0.17 0.48 0.77 -0.89 -0.53 0.00 0.00 176.83 176.83 1k42 s THR 13 N -2.98 4.57 0.23 2.23 2.01 -1.25 -5.00 115.64 115.45 1k42 s THR 13 Ca 0.01 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1k42 s THR 13 Cb 0.08 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1k42 s THR 13 CO 0.77 -0.12 1.01 -2.16 -0.69 0.00 0.00 174.62 173.44 1k42 s PRO 14 N 2.94 4.74 1.00 4.92 0.04 -1.26 -4.94 135.00 142.44 1k42 s PRO 14 Ca 0.48 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1k42 s PRO 14 Cb -0.18 -3.26 -0.14 0.00 0.04 0.00 0.00 34.50 30.96 1k42 s PRO 14 CO 0.12 0.34 -0.91 0.00 0.04 0.00 0.00 177.00 176.59 1k42 n ALA 15 N 1.63 -5.32 0.00 8.56 0.00 -1.26 -4.84 120.51 119.28 1k42 n ALA 15 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1k42 n ALA 15 Cb 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 3.27 4.10 3.70 0.00 0.00 -1.18 -4.90 105.19 110.17 1k42 n GLY 16 Ca -0.01 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.57 2.31 -3.11 1.61 3.14 -1.26 -2.62 118.33 117.84 1k42 n VAL 17 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 1k42 n VAL 17 Cb 0.00 -1.56 -0.06 0.00 -1.06 0.00 0.00 33.84 31.16 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 -1.16 4.59 -0.05 1.55 1.01 -0.53 -4.87 120.40 120.95 1k42 s VAL 18 Ca 0.59 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.93 1k42 s VAL 18 Cb -0.53 -3.81 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 1k42 s VAL 18 CO 0.60 0.13 0.26 0.35 0.00 0.00 0.00 175.10 176.44 1k42 n THR 19 N 0.50 0.22 -3.42 3.92 -2.24 -1.26 -4.84 114.28 107.15 1k42 n THR 19 Ca -0.01 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1k42 n THR 19 Cb 0.51 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.94 2.19 0.47 3.42 1.11 -1.26 -4.99 116.67 113.67 1k42 s ASP 20 Ca -0.06 -1.67 0.26 0.00 0.18 0.00 0.00 52.55 51.27 1k42 s ASP 20 Cb 0.08 0.09 1.30 0.00 1.07 0.00 0.00 42.92 45.46 1k42 s ASP 20 CO 0.61 -0.32 1.81 0.17 1.18 0.00 0.00 175.17 178.62 1k42 h LEU 21 N 7.36 0.23 -0.65 1.23 8.10 -1.88 0.53 115.31 130.23 1k42 h LEU 21 Ca 0.00 0.04 0.01 0.00 0.11 0.00 0.00 57.88 58.04 1k42 h LEU 21 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.21 1k42 h LEU 21 CO 0.27 0.05 0.43 0.00 -4.11 0.00 0.00 178.44 175.08 1k42 h ALA 22 N 1.54 0.83 -0.48 0.17 0.00 -1.92 -2.57 119.26 116.83 1k42 h ALA 22 Ca 0.54 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 55.07 1k42 h ALA 22 Cb 1.73 -0.25 -0.25 0.00 0.00 0.00 0.00 17.79 19.02 1k42 h ALA 22 CO -0.15 0.23 -0.55 -0.85 0.00 0.00 0.00 179.25 177.94 1k42 n GLU 23 N -4.65 2.73 0.00 0.00 0.28 0.74 -4.79 120.64 114.96 1k42 n GLU 23 Ca 0.06 -3.74 0.00 0.00 -0.16 0.00 0.00 57.16 53.31 1k42 n GLU 23 Cb 0.03 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 30.88 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 -0.90 -0.27 3.65 -1.84 0.00 0.15 -4.85 105.19 101.13 1k42 n GLY 24 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.82 5.23 0.47 1.61 1.01 -1.04 -4.94 120.40 121.91 1k42 s VAL 25 Ca 0.00 0.55 0.17 0.00 0.00 0.00 0.00 61.98 62.70 1k42 s VAL 25 Cb 0.00 -3.67 0.34 0.00 0.00 0.00 0.00 36.38 33.05 1k42 s VAL 25 CO 0.00 0.24 2.00 -0.08 0.00 0.00 0.00 175.10 177.27 1k42 h GLU 26 N 7.64 0.25 -0.02 2.72 4.81 -1.90 -0.80 114.58 127.29 1k42 h GLU 26 Ca -0.35 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1k42 h GLU 26 Cb 1.16 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1k42 h GLU 26 CO 0.68 0.16 -0.31 0.41 -0.73 0.00 0.00 179.01 179.23 1k42 n GLY 27 N -1.55 0.20 2.69 1.92 0.00 -1.25 -4.23 105.19 102.97 1k42 n GLY 27 Ca 0.08 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.11 0.09 0.03 1.61 0.52 -0.30 -1.15 118.94 117.61 1k42 s TRP 28 Ca 0.19 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.61 1k42 s TRP 28 Cb 0.16 -0.46 -0.02 0.00 -1.15 0.00 0.00 33.47 32.00 1k42 s TRP 28 CO 0.44 -0.18 -0.25 -0.51 0.02 0.00 0.00 176.95 176.47 1k42 s ASP 29 N 1.98 2.92 0.30 2.95 1.11 -0.32 -2.51 116.67 123.11 1k42 s ASP 29 Ca 0.03 -0.53 0.09 0.00 0.18 0.00 0.00 52.55 52.32 1k42 s ASP 29 Cb -0.12 -0.28 -0.04 0.00 1.07 0.00 0.00 42.92 43.54 1k42 s ASP 29 CO -0.03 0.25 0.04 -0.76 1.18 0.00 0.00 175.17 175.85 1k42 s LEU 30 N -1.02 3.17 -0.20 1.23 1.43 -0.99 -1.08 118.68 121.22 1k42 s LEU 30 Ca 0.10 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1k42 s LEU 30 Cb -0.10 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.57 1k42 s LEU 30 CO 0.01 -0.13 0.44 0.20 0.23 0.00 0.00 176.35 177.10 1k42 s ASN 31 N -3.73 -0.36 -0.12 2.29 -0.87 -0.34 -3.91 114.94 107.90 1k42 s ASN 31 Ca 0.34 1.04 -0.03 0.00 -1.57 0.00 0.00 52.86 52.64 1k42 s ASN 31 Cb -0.04 1.37 -0.03 0.00 -0.02 0.00 0.00 41.25 42.53 1k42 s ASN 31 CO 0.21 -0.23 -0.02 0.68 -2.57 0.00 0.00 177.10 175.17 1k42 s VAL 32 N 2.50 4.09 0.06 1.60 -7.23 -1.26 -2.87 120.40 117.29 1k42 s VAL 32 Ca -0.03 -0.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 1k42 s VAL 32 Cb -0.12 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.08 1k42 s VAL 32 CO -0.13 0.55 0.07 0.61 -0.31 0.00 0.00 175.10 175.88 1k42 n GLY 33 N 2.82 2.32 0.00 2.32 0.00 -1.16 -4.96 105.19 106.53 1k42 n GLY 33 Ca -0.18 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.77 1k42 n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k42 n SER 34 N -2.60 0.00 0.10 1.61 3.41 -1.26 -2.58 113.62 112.29 1k42 n SER 34 Ca 0.01 -0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1k42 n SER 34 Cb 0.06 -0.23 0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1k42 n SER 34 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1k42 h SER 35 N 0.00 0.18 -0.62 4.04 0.02 -1.89 -3.40 113.55 111.88 1k42 h SER 35 Ca 0.00 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.59 1k42 h SER 35 Cb 0.13 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1k42 h SER 35 CO 0.00 0.85 0.59 -0.69 -1.14 0.00 0.00 176.83 176.44 1k42 s VAL 36 N -3.45 3.36 0.54 2.27 1.01 -1.07 -3.67 120.40 119.39 1k42 s VAL 36 Ca -0.03 -0.32 0.20 0.00 0.00 0.00 0.00 61.98 61.84 1k42 s VAL 36 Cb 0.11 -3.83 0.30 0.00 0.00 0.00 0.00 36.38 32.96 1k42 s VAL 36 CO 0.80 -0.75 2.17 0.74 0.00 0.00 0.00 175.10 178.07 1k42 h THR 37 N 7.30 0.86 -3.47 3.92 2.02 -1.76 -3.39 112.91 118.38 1k42 h THR 37 Ca 0.08 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.79 1k42 h THR 37 Cb 1.00 0.99 -0.33 0.00 -1.74 0.00 0.00 68.15 68.06 1k42 h THR 37 CO 1.17 0.00 -0.80 0.20 0.37 0.00 0.00 175.52 176.46 1k42 s ASN 38 N -6.78 1.44 -0.12 4.18 0.01 -1.25 -5.09 114.94 107.33 1k42 s ASN 38 Ca -0.05 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.57 1k42 s ASN 38 Cb 0.17 -0.66 -0.02 0.00 0.41 0.00 0.00 41.25 41.15 1k42 s ASN 38 CO 0.64 0.01 1.14 -2.16 -1.51 0.00 0.00 177.10 175.22 1k42 s PRO 39 N 0.70 4.32 0.00 -0.60 0.04 -1.26 -4.75 135.00 133.45 1k42 s PRO 39 Ca -0.13 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1k42 s PRO 39 Cb -0.15 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1k42 s PRO 39 CO 0.02 -0.51 0.00 -0.35 0.04 0.00 0.00 177.00 176.20 1k42 n PRO 40 N 5.69 0.28 -4.17 0.56 -0.04 -1.26 -4.97 135.00 131.10 1k42 n PRO 40 Ca 0.11 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 -0.57 2.59 -0.34 0.52 1.01 -1.10 -4.88 120.40 117.62 1k42 s VAL 41 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1k42 s VAL 41 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1k42 s VAL 41 CO 0.00 0.50 0.17 -0.36 0.00 0.00 0.00 175.10 175.41 1k42 s PHE 42 N 1.22 3.21 0.12 5.22 0.08 -1.26 -2.14 117.98 124.43 1k42 s PHE 42 Ca 0.02 -0.87 -0.17 0.00 0.12 0.00 0.00 56.93 56.03 1k42 s PHE 42 Cb -0.14 -2.38 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1k42 s PHE 42 CO -0.07 -0.58 0.43 -2.00 -0.10 0.00 0.00 175.22 172.90 1k42 s GLU 43 N 1.56 1.08 -0.02 0.44 2.12 -1.09 -1.45 118.70 121.34 1k42 s GLU 43 Ca 0.03 -0.63 -0.12 0.00 0.36 0.00 0.00 54.97 54.61 1k42 s GLU 43 Cb -0.18 0.48 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 1k42 s GLU 43 CO 0.06 -0.43 0.34 0.08 -0.54 0.00 0.00 175.26 174.77 1k42 s VAL 44 N -3.62 5.16 -0.18 3.70 1.01 -1.08 -0.17 120.40 125.22 1k42 s VAL 44 Ca 0.02 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1k42 s VAL 44 Cb 0.01 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1k42 s VAL 44 CO -0.11 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.60 1k42 s LEU 45 N -1.16 2.19 -0.45 3.92 2.01 -0.51 -3.11 118.68 121.57 1k42 s LEU 45 Ca 0.22 -0.63 -0.29 0.00 0.01 0.00 0.00 54.13 53.45 1k42 s LEU 45 Cb -0.15 -1.50 0.02 0.00 0.01 0.00 0.00 46.19 44.57 1k42 s LEU 45 CO 0.12 0.01 1.29 -1.61 1.01 0.00 0.00 176.35 177.16 1k42 s GLU 46 N 1.25 3.63 -0.07 1.70 0.41 -1.26 -2.89 118.70 121.48 1k42 s GLU 46 Ca 0.04 0.74 0.02 0.00 -0.41 0.00 0.00 54.97 55.36 1k42 s GLU 46 Cb -0.13 -3.98 0.01 0.00 -1.78 0.00 0.00 34.13 28.25 1k42 s GLU 46 CO -0.11 -1.50 -0.12 0.95 -0.49 0.00 0.00 175.26 173.98 1k42 s THR 47 N 5.02 1.14 -0.75 3.63 -4.23 -1.09 -4.99 115.64 114.37 1k42 s THR 47 Ca 0.55 -0.48 0.21 0.00 -1.18 0.00 0.00 61.69 60.79 1k42 s THR 47 Cb -0.10 -1.05 0.21 0.00 1.34 0.00 0.00 72.50 72.90 1k42 s THR 47 CO 0.32 0.36 1.66 -1.20 -0.54 0.00 0.00 174.62 175.22 1k42 n SER 48 N 3.82 0.39 -0.96 3.99 7.64 -1.26 -2.07 113.62 125.16 1k42 n SER 48 Ca -0.23 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.35 1k42 n SER 48 Cb 0.52 -0.67 0.20 0.00 -1.01 0.00 0.00 64.21 63.25 1k42 n SER 48 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k42 n ASP 49 N -1.91 2.95 -4.25 6.43 8.00 -1.26 -4.93 116.55 121.58 1k42 n ASP 49 Ca 0.04 -1.94 -0.37 0.00 0.71 0.00 0.00 54.79 53.23 1k42 n ASP 49 Cb 0.25 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.23 -3.37 0.09 2.24 0.00 -0.88 -4.87 120.51 114.95 1k42 n ALA 50 Ca 0.17 -0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1k42 n ALA 50 Cb 0.56 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.56 0.38 -4.20 0.00 0.13 -1.91 -3.41 132.00 122.42 1k42 h PRO 51 Ca -0.43 -0.51 -0.65 0.00 -0.87 0.00 0.00 66.00 63.54 1k42 h PRO 51 Cb 1.36 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.25 1k42 h PRO 51 CO 0.35 1.19 -0.70 -2.00 -0.23 0.00 0.00 178.00 176.61 1k42 s GLU 52 N -2.96 1.54 7.03 0.86 2.12 -1.26 -4.93 118.70 121.10 1k42 s GLU 52 Ca -0.05 -2.02 0.00 0.00 0.36 0.00 0.00 54.97 53.26 1k42 s GLU 52 Cb 0.08 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1k42 s GLU 52 CO 0.88 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1k42 n GLY 53 N 3.97 2.02 2.00 -1.50 0.00 -1.26 -3.95 105.19 106.47 1k42 n GLY 53 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 9.54 -0.83 -3.74 1.61 4.13 -1.26 -4.43 115.26 120.28 1k42 n ASN 54 Ca 0.00 -2.11 -0.13 0.00 1.68 0.00 0.00 54.58 54.03 1k42 n ASN 54 Cb 0.00 0.36 -0.13 0.00 -1.54 0.00 0.00 39.78 38.47 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1k42 s LYS 55 N -0.30 0.17 0.28 3.52 1.02 -1.25 -2.65 119.74 120.52 1k42 s LYS 55 Ca 0.09 0.45 0.04 0.00 0.02 0.00 0.00 55.97 56.57 1k42 s LYS 55 Cb 0.27 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1k42 s LYS 55 CO -0.08 -0.15 0.21 0.14 -0.92 0.00 0.00 175.35 174.56 1k42 s VAL 56 N 1.11 0.02 -0.52 3.17 -7.23 -1.14 -4.22 120.40 111.60 1k42 s VAL 56 Ca -0.08 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 1k42 s VAL 56 Cb -0.10 -2.50 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1k42 s VAL 56 CO -0.07 0.00 0.45 -0.22 -0.31 0.00 0.00 175.10 174.95 1k42 s LEU 57 N -3.29 6.01 -0.28 1.32 2.96 -0.70 -1.42 118.68 123.28 1k42 s LEU 57 Ca 0.40 -1.78 -0.28 0.00 -0.22 0.00 0.00 54.13 52.25 1k42 s LEU 57 Cb 0.04 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1k42 s LEU 57 CO 0.21 -0.80 1.00 0.00 -1.32 0.00 0.00 176.35 175.44 1k42 s ALA 58 N 1.54 3.59 0.03 5.97 0.00 0.76 -2.19 121.76 131.46 1k42 s ALA 58 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1k42 s ALA 58 Cb -0.29 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1k42 s ALA 58 CO 0.02 -1.23 -0.15 0.08 0.00 0.00 0.00 175.76 174.48 1k42 s VAL 59 N 3.32 2.99 -0.63 0.00 1.01 -0.43 -2.69 120.40 123.97 1k42 s VAL 59 Ca 0.42 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1k42 s VAL 59 Cb -0.14 -2.26 0.16 0.00 0.00 0.00 0.00 36.38 34.14 1k42 s VAL 59 CO 0.11 0.37 0.50 -0.89 0.00 0.00 0.00 175.10 175.18 1k42 s THR 60 N -0.93 4.41 -0.19 3.92 2.01 -0.91 -0.31 115.64 123.64 1k42 s THR 60 Ca 0.15 -2.43 -0.22 0.00 0.31 0.00 0.00 61.69 59.50 1k42 s THR 60 Cb -0.11 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1k42 s THR 60 CO 0.06 -0.88 0.68 -0.69 -0.69 0.00 0.00 174.62 173.09 1k42 s VAL 61 N 0.49 4.98 -0.46 3.82 1.01 -1.09 -2.72 120.40 126.44 1k42 s VAL 61 Ca 0.13 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1k42 s VAL 61 Cb -0.19 -3.99 0.32 0.00 0.00 0.00 0.00 36.38 32.51 1k42 s VAL 61 CO -0.04 0.09 1.11 -0.46 0.00 0.00 0.00 175.10 175.80 1k42 n ASN 62 N 5.10 -2.36 0.00 3.32 0.23 -1.26 -2.03 115.26 118.26 1k42 n ASN 62 Ca 0.00 -3.68 0.00 0.00 -0.53 0.00 0.00 54.58 50.37 1k42 n ASN 62 Cb 0.49 1.93 0.00 0.00 -2.08 0.00 0.00 39.78 40.13 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 0.40 -0.46 2.82 4.83 0.00 -1.26 -4.85 105.19 106.67 1k42 n GLY 63 Ca 0.06 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.16 1.61 0.24 -1.26 -3.92 118.33 111.84 1k42 n VAL 64 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1k42 n VAL 64 Cb 0.00 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.78 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 -1.28 6.03 1.24 7.63 0.00 -1.24 -4.05 105.19 113.51 1k42 n GLY 65 Ca 0.12 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.34 3.61 -4.20 1.61 2.85 -1.26 -4.89 115.26 112.64 1k42 n ASN 66 Ca 0.00 -2.19 -0.21 0.00 -0.11 0.00 0.00 54.58 52.07 1k42 n ASN 66 Cb 0.00 -0.46 -0.13 0.00 1.24 0.00 0.00 39.78 40.43 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1k42 s ASN 67 N -0.90 2.00 0.00 1.20 0.01 -1.26 -5.01 114.94 110.97 1k42 s ASN 67 Ca 0.41 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1k42 s ASN 67 Cb 0.24 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.80 1k42 s ASN 67 CO 0.24 0.01 0.83 -0.81 -1.51 0.00 0.00 177.10 175.86 1k42 n PRO 68 N 1.45 0.91 -3.06 -0.60 -0.04 -1.26 -3.89 135.00 128.51 1k42 n PRO 68 Ca -0.19 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1k42 n PRO 68 Cb 0.54 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.40 1.00 -0.00 0.54 2.14 -1.26 -4.84 117.44 114.62 1k42 n TRP 69 Ca 0.00 -3.69 -0.00 0.00 2.07 0.00 0.00 57.50 55.88 1k42 n TRP 69 Cb 0.04 -0.41 -0.00 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 2.98 0.00 -3.59 -0.67 3.32 -1.67 -3.41 116.42 113.39 1k42 h ASP 70 Ca 0.08 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.49 1k42 h ASP 70 Cb 0.93 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.26 1k42 h ASP 70 CO 0.56 0.05 -0.62 -0.63 -1.72 0.00 0.00 179.24 176.88 1k42 s ILE 71 N -1.06 4.36 -0.04 0.35 1.01 -0.22 -2.98 121.20 122.61 1k42 s ILE 71 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1k42 s ILE 71 Cb 0.00 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1k42 s ILE 71 CO 0.01 0.36 -0.11 -1.61 0.00 0.00 0.00 174.94 173.59 1k42 s GLU 72 N 1.40 1.35 -0.26 2.79 2.02 -1.14 0.13 118.70 124.99 1k42 s GLU 72 Ca 0.05 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1k42 s GLU 72 Cb -0.15 -1.18 0.07 0.00 0.10 0.00 0.00 34.13 32.97 1k42 s GLU 72 CO 0.03 0.08 -0.07 0.00 0.02 0.00 0.00 175.26 175.33 1k42 s ALA 73 N 0.42 2.42 0.33 5.21 0.00 0.14 -1.20 121.76 129.08 1k42 s ALA 73 Ca -0.08 -1.75 0.07 0.00 0.00 0.00 0.00 51.96 50.19 1k42 s ALA 73 Cb -0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 1k42 s ALA 73 CO 0.02 -1.27 0.46 0.99 0.00 0.00 0.00 175.76 175.96 1k42 s THR 74 N 1.17 4.11 -0.05 0.00 2.01 -0.24 -0.83 115.64 121.81 1k42 s THR 74 Ca -0.05 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.00 1k42 s THR 74 Cb -0.19 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1k42 s THR 74 CO -0.06 -0.17 -0.23 0.00 -0.69 0.00 0.00 174.62 173.47 1k42 s ALA 75 N -2.17 2.25 0.00 7.40 0.00 -0.31 -1.17 121.76 127.76 1k42 s ALA 75 Ca 0.44 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1k42 s ALA 75 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1k42 s ALA 75 CO 0.31 0.44 0.00 1.97 0.00 0.00 0.00 175.76 178.48 1k42 n PHE 76 N 2.81 0.00 -2.02 0.00 1.16 -0.30 -2.44 117.46 116.67 1k42 n PHE 76 Ca -0.17 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.12 1k42 n PHE 76 Cb 0.52 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.43 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 2.82 0.16 3.97 0.04 -1.26 -3.96 135.00 134.76 1k42 s PRO 77 Ca 0.00 0.31 0.07 0.00 0.04 0.00 0.00 61.00 61.43 1k42 s PRO 77 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1k42 s PRO 77 CO 0.00 -0.98 -0.16 0.08 0.04 0.00 0.00 177.00 175.98 1k42 s VAL 78 N -3.28 1.64 0.04 -0.36 1.01 -0.71 -3.95 120.40 114.80 1k42 s VAL 78 Ca 0.57 -1.92 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1k42 s VAL 78 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1k42 s VAL 78 CO 0.50 -0.41 -0.10 0.20 0.00 0.00 0.00 175.10 175.29 1k42 s ASN 79 N -2.75 4.40 0.15 3.32 0.01 -1.06 -2.60 114.94 116.40 1k42 s ASN 79 Ca 0.15 -0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 1k42 s ASN 79 Cb -0.04 -0.93 0.01 0.00 0.41 0.00 0.00 41.25 40.70 1k42 s ASN 79 CO 0.05 0.25 0.24 1.33 -1.51 0.00 0.00 177.10 177.47 1k42 n VAL 80 N 1.34 0.00 -4.09 1.60 0.24 -0.34 -4.54 118.33 112.54 1k42 n VAL 80 Ca -0.15 -0.58 -0.14 0.00 -2.04 0.00 0.00 64.34 61.43 1k42 n VAL 80 Cb 0.52 0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.20 0.47 -0.40 7.34 0.52 -1.26 -4.67 118.95 118.74 1k42 s ARG 81 Ca 0.09 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 1k42 s ARG 81 Cb -0.01 -0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.16 1k42 s ARG 81 CO 0.07 0.07 1.23 -1.25 0.02 0.00 0.00 175.30 175.44 1k42 s PRO 82 N -0.99 3.78 0.00 3.54 0.04 -1.26 -3.11 135.00 136.99 1k42 s PRO 82 Ca -0.05 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1k42 s PRO 82 Cb -0.07 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1k42 s PRO 82 CO 0.00 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1k42 n GLY 83 N 4.65 3.31 3.84 0.56 0.00 -1.26 -5.05 105.19 111.24 1k42 n GLY 83 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.97 4.59 0.03 1.61 1.01 -1.18 -4.95 120.40 118.53 1k42 s VAL 84 Ca 0.00 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.95 1k42 s VAL 84 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1k42 s VAL 84 CO 0.00 -0.20 0.45 -0.89 0.00 0.00 0.00 175.10 174.46 1k42 s THR 85 N -2.01 4.97 0.31 3.92 2.01 -1.26 -3.98 115.64 119.59 1k42 s THR 85 Ca 0.56 0.89 0.08 0.00 0.31 0.00 0.00 61.69 63.53 1k42 s THR 85 Cb -0.10 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 1k42 s THR 85 CO 0.16 0.55 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.25 1k42 s TYR 86 N -1.12 2.16 0.19 4.92 1.51 -0.71 -4.34 117.35 119.96 1k42 s TYR 86 Ca 0.26 -0.61 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1k42 s TYR 86 Cb -0.17 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1k42 s TYR 86 CO 0.15 0.42 -0.20 0.99 -1.11 0.00 0.00 175.55 175.80 1k42 s THR 87 N -2.83 2.60 -0.13 -0.71 2.01 0.40 -2.42 115.64 114.56 1k42 s THR 87 Ca 0.31 -1.93 -0.00 0.00 0.31 0.00 0.00 61.69 60.38 1k42 s THR 87 Cb 0.03 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.30 1k42 s THR 87 CO 0.14 -0.12 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.37 1k42 s TYR 88 N -1.69 1.84 0.01 4.92 6.14 -0.74 -2.29 117.35 125.54 1k42 s TYR 88 Ca 0.22 -0.99 0.02 0.00 0.64 0.00 0.00 57.07 56.96 1k42 s TYR 88 Cb -0.08 -1.42 -0.01 0.00 0.42 0.00 0.00 41.96 40.86 1k42 s TYR 88 CO 0.11 -0.59 -0.08 0.99 0.64 0.00 0.00 175.55 176.62 1k42 s THR 89 N 1.58 0.60 0.16 4.34 2.01 -0.90 -1.20 115.64 122.22 1k42 s THR 89 Ca 0.05 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1k42 s THR 89 Cb -0.13 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.85 1k42 s THR 89 CO -0.09 0.02 0.36 -0.51 -0.69 0.00 0.00 174.62 173.71 1k42 s ILE 90 N -0.50 0.07 -0.06 1.82 2.07 -0.31 -1.47 121.20 122.82 1k42 s ILE 90 Ca -0.00 -1.04 0.01 0.00 -1.41 0.00 0.00 60.65 58.21 1k42 s ILE 90 Cb -0.05 -1.58 0.02 0.00 0.13 0.00 0.00 42.46 40.98 1k42 s ILE 90 CO 0.00 -0.30 -0.07 0.26 -1.91 0.00 0.00 174.94 172.92 1k42 s TRP 91 N -3.90 1.04 0.10 3.50 0.52 -0.12 -1.69 118.94 118.40 1k42 s TRP 91 Ca 0.11 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 55.97 1k42 s TRP 91 Cb 0.02 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 1k42 s TRP 91 CO -0.04 -0.25 -0.26 0.00 0.02 0.00 0.00 176.95 176.42 1k42 s ALA 92 N 0.93 2.38 -0.30 0.98 0.00 -1.16 -1.54 121.76 123.05 1k42 s ALA 92 Ca -0.10 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 1k42 s ALA 92 Cb -0.15 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.66 1k42 s ALA 92 CO 0.01 0.54 0.69 0.50 0.00 0.00 0.00 175.76 177.49 1k42 s ARG 93 N -1.80 0.55 0.28 0.00 3.52 -0.70 -1.44 118.95 119.37 1k42 s ARG 93 Ca 0.14 1.38 0.08 0.00 -0.13 0.00 0.00 55.73 57.19 1k42 s ARG 93 Cb -0.10 0.82 -0.03 0.00 -1.56 0.00 0.00 34.95 34.07 1k42 s ARG 93 CO 0.05 -0.19 0.20 0.00 -0.81 0.00 0.00 175.30 174.55 1k42 s ALA 94 N 2.83 3.60 0.07 6.12 0.00 -1.09 -1.00 121.76 132.30 1k42 s ALA 94 Ca -0.06 -1.53 -0.25 0.00 0.00 0.00 0.00 51.96 50.12 1k42 s ALA 94 Cb -0.11 -1.17 -0.16 0.00 0.00 0.00 0.00 23.12 21.67 1k42 s ALA 94 CO -0.19 0.17 1.66 1.49 0.00 0.00 0.00 175.76 178.90 1k42 h GLU 95 N 1.47 -0.15 -5.88 0.00 4.81 -1.50 -3.37 114.58 109.97 1k42 h GLU 95 Ca -0.47 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.10 1k42 h GLU 95 Cb 1.24 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.48 1k42 h GLU 95 CO 0.60 -0.05 -0.65 -0.65 -0.73 0.00 0.00 179.01 177.53 1k42 s GLN 96 N -5.95 3.07 0.53 1.92 -0.21 -1.26 -4.77 119.66 112.98 1k42 s GLN 96 Ca -0.14 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 54.55 1k42 s GLN 96 Cb 0.05 -2.76 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 1k42 s GLN 96 CO 0.65 0.59 1.30 0.16 -2.12 0.00 0.00 175.29 175.87 1k42 s ASP 97 N -0.58 5.43 0.00 5.90 1.47 -1.26 -4.28 116.67 123.35 1k42 s ASP 97 Ca 0.09 2.62 0.00 0.00 1.18 0.00 0.00 52.55 56.45 1k42 s ASP 97 Cb -0.12 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.84 1k42 s ASP 97 CO 0.02 -1.45 0.00 0.61 0.68 0.00 0.00 175.17 175.03 1k42 n GLY 98 N 0.65 1.13 3.34 2.12 0.00 -1.08 -4.96 105.19 106.41 1k42 n GLY 98 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 2.26 0.12 4.61 0.00 -1.18 -4.58 121.76 120.98 1k42 s ALA 99 Ca 0.00 -1.15 0.09 0.00 0.00 0.00 0.00 51.96 50.91 1k42 s ALA 99 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1k42 s ALA 99 CO 0.00 0.54 -0.19 0.08 0.00 0.00 0.00 175.76 176.18 1k42 s VAL 100 N -0.69 2.76 0.17 0.00 1.01 -1.07 0.21 120.40 122.79 1k42 s VAL 100 Ca 0.11 -1.53 -0.13 0.00 0.00 0.00 0.00 61.98 60.43 1k42 s VAL 100 Cb -0.10 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1k42 s VAL 100 CO 0.00 0.10 0.39 -0.69 0.00 0.00 0.00 175.10 174.90 1k42 s VAL 101 N -1.13 0.05 -0.02 2.92 1.01 -1.16 -4.51 120.40 117.56 1k42 s VAL 101 Ca 0.17 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1k42 s VAL 101 Cb -0.10 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1k42 s VAL 101 CO 0.09 -0.23 -0.15 -0.55 0.00 0.00 0.00 175.10 174.26 1k42 s SER 102 N -2.92 1.85 -0.27 3.32 0.15 -1.18 -2.62 113.70 112.03 1k42 s SER 102 Ca 0.13 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.48 1k42 s SER 102 Cb 0.01 -0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.07 1k42 s SER 102 CO -0.02 0.16 0.06 -0.36 1.20 0.00 0.00 173.24 174.28 1k42 s PHE 103 N -0.17 1.82 0.34 3.44 0.40 -1.11 -1.28 117.98 121.43 1k42 s PHE 103 Ca 0.02 -1.64 0.09 0.00 -0.60 0.00 0.00 56.93 54.80 1k42 s PHE 103 Cb -0.08 -1.63 -0.06 0.00 0.51 0.00 0.00 43.02 41.76 1k42 s PHE 103 CO 0.00 -0.81 -0.08 0.95 0.70 0.00 0.00 175.22 175.98 1k42 s THR 104 N 1.58 2.30 0.13 0.64 -4.23 -1.17 -2.56 115.64 112.33 1k42 s THR 104 Ca 0.05 -2.18 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1k42 s THR 104 Cb -0.18 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1k42 s THR 104 CO -0.17 -0.20 -0.19 0.68 -0.54 0.00 0.00 174.62 174.20 1k42 s VAL 105 N -2.59 1.70 0.00 2.29 -7.23 -1.16 -1.94 120.40 111.46 1k42 s VAL 105 Ca 0.33 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1k42 s VAL 105 Cb 0.02 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1k42 s VAL 105 CO 0.17 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1k42 n GLY 106 N 0.72 1.49 0.00 2.32 0.00 -0.69 -2.45 105.19 106.58 1k42 n GLY 106 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1k42 n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k42 n ASN 107 N 0.00 0.00 0.00 1.61 0.23 -1.13 -1.47 115.26 114.50 1k42 n ASN 107 Ca 0.00 -0.96 0.02 0.00 -0.53 0.00 0.00 54.58 53.11 1k42 n ASN 107 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.56 -0.19 -3.83 3.00 -1.26 -2.21 117.38 112.48 1k42 n GLN 108 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1k42 n GLN 108 Cb 0.00 -1.10 0.16 0.00 0.00 0.00 0.00 30.24 29.30 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 -0.60 2.98 0.00 1.08 2.88 -1.26 -4.93 113.62 113.77 1k42 n SER 109 Ca 0.03 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1k42 n SER 109 Cb 0.01 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.51 0.00 -2.50 0.66 3.72 -0.94 -4.92 117.46 113.99 1k42 n PHE 110 Ca 0.12 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 1k42 n PHE 110 Cb 0.44 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -0.65 3.30 0.17 -1.08 -1.52 -1.26 -4.85 119.66 113.76 1k42 s GLN 111 Ca 0.00 -0.58 -0.26 0.00 -1.95 0.00 0.00 55.36 52.57 1k42 s GLN 111 Cb 0.00 -4.75 -0.08 0.00 -0.22 0.00 0.00 33.01 27.96 1k42 s GLN 111 CO 0.00 -2.27 0.80 -2.00 -0.25 0.00 0.00 175.29 171.57 1k42 s GLU 112 N 5.55 4.61 -0.00 2.91 2.12 -1.26 -2.83 118.70 129.81 1k42 s GLU 112 Ca 0.43 1.21 -0.00 0.00 0.36 0.00 0.00 54.97 56.97 1k42 s GLU 112 Cb -0.05 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 1k42 s GLU 112 CO 0.04 0.55 -0.00 0.66 -0.54 0.00 0.00 175.26 175.96 1k42 n TYR 113 N 1.64 0.00 -2.32 5.30 4.01 -1.02 -4.92 117.16 119.85 1k42 n TYR 113 Ca -0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1k42 n TYR 113 Cb 0.48 -0.01 0.04 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 -3.02 1.63 -0.30 2.72 0.00 -1.26 -4.97 107.32 102.12 1k42 s GLY 114 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 1k42 s GLY 114 CO 0.00 -0.42 0.75 -1.60 0.00 0.00 0.00 173.10 171.83 1k42 s ARG 115 N -5.08 0.44 -0.40 2.90 6.06 -1.26 -3.00 118.95 118.62 1k42 s ARG 115 Ca 0.56 0.77 0.08 0.00 -2.50 0.00 0.00 55.73 54.64 1k42 s ARG 115 Cb -0.11 0.43 0.25 0.00 0.06 0.00 0.00 34.95 35.58 1k42 s ARG 115 CO 0.45 -0.49 0.57 1.47 -2.50 0.00 0.00 175.30 174.80 1k42 n LEU 116 N 5.44 -0.21 -4.93 -0.88 -0.00 -1.06 -5.03 117.00 110.33 1k42 n LEU 116 Ca -0.03 -4.52 -0.29 0.00 -0.00 0.00 0.00 56.01 51.18 1k42 n LEU 116 Cb 0.52 0.67 -0.04 0.00 -0.00 0.00 0.00 43.42 44.57 1k42 n LEU 116 CO -0.02 2.06 -0.09 -1.38 -0.00 0.00 0.00 177.39 177.97 1k42 s HIS 117 N -0.96 3.50 -0.03 1.47 -3.43 -1.26 -2.74 115.29 111.85 1k42 s HIS 117 Ca 0.35 0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1k42 s HIS 117 Cb 0.18 -1.76 -0.00 0.00 -1.43 0.00 0.00 32.58 29.57 1k42 s HIS 117 CO -0.13 0.52 0.02 -1.91 -2.00 0.00 0.00 174.74 171.24 1k42 n GLU 118 N -0.19 -0.05 -4.26 -0.38 2.13 -1.08 -4.94 120.64 111.88 1k42 n GLU 118 Ca -0.05 0.47 -0.20 0.00 0.66 0.00 0.00 57.16 58.03 1k42 n GLU 118 Cb 0.53 -1.64 -0.16 0.00 0.27 0.00 0.00 31.44 30.43 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 -3.01 0.95 0.66 5.31 -1.52 -1.11 -4.98 119.66 115.97 1k42 s GLN 119 Ca 0.00 -0.18 -0.16 0.00 -1.95 0.00 0.00 55.36 53.08 1k42 s GLN 119 Cb -0.00 -0.90 -0.00 0.00 -0.22 0.00 0.00 33.01 31.89 1k42 s GLN 119 CO 0.03 -0.03 1.14 -0.65 -0.25 0.00 0.00 175.29 175.53 1k42 s GLN 120 N 0.74 2.72 -0.02 2.91 -0.21 -1.26 -2.98 119.66 121.56 1k42 s GLN 120 Ca -0.11 1.54 0.02 0.00 0.02 0.00 0.00 55.36 56.83 1k42 s GLN 120 Cb -0.14 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 31.95 1k42 s GLN 120 CO 0.01 -1.34 -0.06 0.42 -2.12 0.00 0.00 175.29 172.20 1k42 s ILE 121 N -2.13 0.52 0.82 1.08 -1.09 0.13 -4.94 121.20 115.59 1k42 s ILE 121 Ca 0.70 -0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.82 1k42 s ILE 121 Cb -0.24 -0.48 0.18 0.00 -1.58 0.00 0.00 42.46 40.34 1k42 s ILE 121 CO 0.40 0.18 1.12 0.35 -1.23 0.00 0.00 174.94 175.75 1k42 n THR 122 N 3.38 0.00 1.43 2.92 -2.24 -1.26 -2.62 114.28 115.89 1k42 n THR 122 Ca -0.18 -1.16 0.13 0.00 -2.27 0.00 0.00 64.05 60.56 1k42 n THR 122 Cb 0.55 -1.28 0.71 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.32 0.09 -3.28 4.28 -2.24 -1.26 -2.67 114.28 105.88 1k42 n THR 123 Ca 0.16 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1k42 n THR 123 Cb 0.55 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.12 1.58 -3.43 -0.78 -0.58 -1.26 -4.33 120.64 110.72 1k42 n GLU 124 Ca 0.16 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 1k42 n GLU 124 Cb 0.14 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.92 1k42 n GLU 124 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1k42 s TRP 125 N 0.37 3.30 -0.23 -0.32 0.52 -1.25 -3.68 118.94 117.65 1k42 s TRP 125 Ca 0.00 0.46 -0.07 0.00 0.02 0.00 0.00 56.10 56.51 1k42 s TRP 125 Cb 0.00 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 1k42 s TRP 125 CO 0.00 -0.11 0.05 -1.14 0.02 0.00 0.00 176.95 175.77 1k42 s GLN 126 N 1.65 3.64 -0.49 4.98 0.74 -0.52 -4.85 119.66 124.81 1k42 s GLN 126 Ca 0.15 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.79 1k42 s GLN 126 Cb -0.15 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.74 1k42 s GLN 126 CO 0.08 -0.13 1.14 -1.25 -0.55 0.00 0.00 175.29 174.59 1k42 s PRO 127 N 1.42 3.69 -0.08 1.67 0.04 -1.26 -2.97 135.00 137.51 1k42 s PRO 127 Ca 0.05 0.51 0.03 0.00 0.04 0.00 0.00 61.00 61.63 1k42 s PRO 127 Cb -0.15 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 1k42 s PRO 127 CO 0.03 -1.43 -0.14 -0.06 0.04 0.00 0.00 177.00 175.44 1k42 s PHE 128 N 4.52 2.73 0.32 0.56 0.08 -0.68 -4.95 117.98 120.56 1k42 s PHE 128 Ca 0.47 -0.33 -0.08 0.00 0.12 0.00 0.00 56.93 57.11 1k42 s PHE 128 Cb -0.07 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1k42 s PHE 128 CO 0.31 0.05 0.53 -0.08 -0.10 0.00 0.00 175.22 175.93 1k42 s THR 129 N -0.37 0.00 0.02 0.64 -1.32 -1.26 -1.16 115.64 112.19 1k42 s THR 129 Ca 0.04 -1.44 -0.07 0.00 -1.21 0.00 0.00 61.69 59.01 1k42 s THR 129 Cb -0.12 -2.55 0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1k42 s THR 129 CO 0.02 0.00 0.31 2.22 -2.21 0.00 0.00 174.62 174.96 1k42 n PHE 130 N -0.50 -0.45 -4.29 9.09 1.16 -0.34 -4.99 117.46 117.14 1k42 n PHE 130 Ca -0.01 -0.25 -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 38.49 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 1.17 0.23 3.97 2.02 -1.26 -1.79 118.70 121.03 1k42 s GLU 131 Ca 0.07 -1.40 -0.22 0.00 0.02 0.00 0.00 54.97 53.44 1k42 s GLU 131 Cb -0.00 -1.02 0.04 0.00 0.10 0.00 0.00 34.13 33.24 1k42 s GLU 131 CO 0.01 0.18 0.74 -0.59 0.02 0.00 0.00 175.26 175.62 1k42 s PHE 132 N -2.51 -0.24 0.01 1.61 -0.71 -1.02 -4.79 117.98 110.34 1k42 s PHE 132 Ca 0.15 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1k42 s PHE 132 Cb -0.03 0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 42.44 1k42 s PHE 132 CO 0.05 -1.09 -0.02 0.99 -1.34 0.00 0.00 175.22 173.80 1k42 s THR 133 N -3.77 0.08 -0.17 -4.49 2.01 -1.26 -1.73 115.64 106.29 1k42 s THR 133 Ca 0.09 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 1k42 s THR 133 Cb -0.04 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1k42 s THR 133 CO 0.03 -0.31 2.03 -0.69 -0.69 0.00 0.00 174.62 174.99 1k42 s VAL 134 N -0.91 3.16 -0.07 3.82 1.01 -1.26 -4.84 120.40 121.32 1k42 s VAL 134 Ca -0.10 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1k42 s VAL 134 Cb -0.06 -3.18 -0.29 0.00 0.00 0.00 0.00 36.38 32.84 1k42 s VAL 134 CO -0.01 -0.09 0.59 -1.28 0.00 0.00 0.00 175.10 174.31 1k42 h SER 135 N 13.22 0.55 1.00 3.32 0.87 -1.95 -3.35 113.55 127.22 1k42 h SER 135 Ca -0.41 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 1k42 h SER 135 Cb 1.22 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1k42 h SER 135 CO 0.97 1.79 -0.62 -0.78 -0.53 0.00 0.00 176.83 177.66 1k42 h ASP 136 N 0.05 0.00 0.00 6.23 3.58 -1.96 -3.47 116.42 120.85 1k42 h ASP 136 Ca -0.36 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1k42 h ASP 136 Cb 2.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.10 1k42 h ASP 136 CO 0.15 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 1k42 n GLN 137 N -2.30 0.00 -2.12 0.28 6.02 -1.26 -5.01 117.38 113.00 1k42 n GLN 137 Ca 0.03 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1k42 n GLN 137 Cb 0.47 -2.37 -0.03 0.00 1.02 0.00 0.00 30.24 29.33 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k42 s GLU 138 N -2.51 4.22 0.00 -1.09 0.41 -1.26 -4.60 118.70 113.88 1k42 s GLU 138 Ca 0.00 2.07 0.29 0.00 -0.41 0.00 0.00 54.97 56.91 1k42 s GLU 138 Cb 0.00 -3.77 1.38 0.00 -1.78 0.00 0.00 34.13 29.96 1k42 s GLU 138 CO 0.00 -0.72 1.97 0.25 -0.49 0.00 0.00 175.26 176.27 1k42 n THR 139 N 5.09 0.06 -3.99 3.63 -2.24 -1.26 -4.52 114.28 111.05 1k42 n THR 139 Ca 0.15 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1k42 n THR 139 Cb 0.43 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.70 0.18 0.24 2.28 1.01 -1.26 -1.20 120.40 118.96 1k42 s VAL 140 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1k42 s VAL 140 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 1k42 s VAL 140 CO 0.46 0.07 0.26 0.27 0.00 0.00 0.00 175.10 176.16 1k42 s ILE 141 N 0.12 0.00 -0.10 2.22 -4.36 -1.07 -4.66 121.20 113.34 1k42 s ILE 141 Ca -0.01 -1.84 -0.06 0.00 -0.26 0.00 0.00 60.65 58.48 1k42 s ILE 141 Cb -0.03 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.27 1k42 s ILE 141 CO -0.00 0.00 0.25 0.00 0.24 0.00 0.00 174.94 175.43 1k42 s ARG 142 N -3.91 0.23 -0.45 0.37 1.70 -0.54 -1.73 118.95 114.62 1k42 s ARG 142 Ca 0.35 0.49 -0.16 0.00 -0.47 0.00 0.00 55.73 55.94 1k42 s ARG 142 Cb 0.04 -0.05 0.05 0.00 -0.57 0.00 0.00 34.95 34.42 1k42 s ARG 142 CO 0.15 -0.13 0.38 0.00 -1.08 0.00 0.00 175.30 174.61 1k42 s ALA 143 N 0.98 3.52 -0.42 7.88 0.00 -1.02 -1.70 121.76 131.01 1k42 s ALA 143 Ca -0.07 -1.95 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 1k42 s ALA 143 Cb -0.08 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1k42 s ALA 143 CO -0.06 -1.65 1.31 -1.25 0.00 0.00 0.00 175.76 174.10 1k42 s PRO 144 N 1.71 3.67 0.04 0.00 0.04 -0.82 -1.16 135.00 138.48 1k42 s PRO 144 Ca 0.05 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1k42 s PRO 144 Cb -0.22 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1k42 s PRO 144 CO 0.08 -1.45 0.49 0.42 0.04 0.00 0.00 177.00 176.59 1k42 s ILE 145 N 4.97 4.88 0.22 0.56 -1.09 -0.01 -3.03 121.20 127.71 1k42 s ILE 145 Ca 0.56 1.02 0.07 0.00 -2.23 0.00 0.00 60.65 60.07 1k42 s ILE 145 Cb -0.12 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1k42 s ILE 145 CO 0.31 0.56 0.12 -1.00 -1.23 0.00 0.00 174.94 173.70 1k42 s HIS 146 N -1.11 3.01 0.16 3.97 3.76 -0.40 -0.69 115.29 124.00 1k42 s HIS 146 Ca 0.27 -0.11 -0.21 0.00 -0.15 0.00 0.00 55.06 54.86 1k42 s HIS 146 Cb -0.18 -1.39 0.06 0.00 1.11 0.00 0.00 32.58 32.17 1k42 s HIS 146 CO 0.16 0.54 0.55 -0.06 -0.85 0.00 0.00 174.74 175.08 1k42 s PHE 147 N -2.00 -0.40 0.00 1.40 0.40 0.36 -3.10 117.98 114.63 1k42 s PHE 147 Ca 0.31 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1k42 s PHE 147 Cb -0.08 0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.93 1k42 s PHE 147 CO 0.23 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.71 1k42 n GLY 148 N -0.34 0.99 3.43 4.36 0.00 -1.25 -1.05 105.19 111.32 1k42 n GLY 148 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 2.11 0.37 1.61 2.02 -1.26 -4.45 117.35 115.89 1k42 s TYR 149 Ca 0.00 -0.41 0.21 0.00 -0.37 0.00 0.00 57.07 56.51 1k42 s TYR 149 Cb 0.00 -0.94 1.13 0.00 -0.40 0.00 0.00 41.96 41.75 1k42 s TYR 149 CO 0.00 0.59 1.97 0.00 -1.57 0.00 0.00 175.55 176.53 1k42 h ALA 150 N 2.46 1.33 0.00 3.71 0.00 -1.97 -1.13 119.26 123.66 1k42 h ALA 150 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1k42 h ALA 150 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k42 h ALA 150 CO 0.59 0.26 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1k42 h ALA 151 N 1.79 1.00 -0.29 0.00 0.00 -1.93 -1.73 119.26 118.10 1k42 h ALA 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k42 h ALA 151 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1k42 h ALA 151 CO 0.03 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1k42 n ASN 152 N -2.34 2.75 -4.89 0.00 3.02 -0.46 -2.61 115.26 110.72 1k42 n ASN 152 Ca 0.02 -1.91 -0.29 0.00 -0.03 0.00 0.00 54.58 52.37 1k42 n ASN 152 Cb 0.24 -0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1k42 n ASN 152 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k42 s VAL 153 N -0.99 4.12 -1.18 2.41 1.01 -0.65 -3.87 120.40 121.26 1k42 s VAL 153 Ca 0.21 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1k42 s VAL 153 Cb 0.11 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1k42 s VAL 153 CO 0.15 -0.75 0.32 0.61 0.00 0.00 0.00 175.10 175.43 1k42 n GLY 154 N -2.67 -0.49 3.63 4.51 0.00 -0.86 -4.91 105.19 104.40 1k42 n GLY 154 Ca 0.05 0.06 -0.13 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 -2.46 -0.75 -0.12 1.61 -0.87 -1.05 -4.95 114.94 106.33 1k42 s ASN 155 Ca 0.25 1.44 -0.21 0.00 -1.57 0.00 0.00 52.86 52.77 1k42 s ASN 155 Cb -0.13 1.45 -0.04 0.00 -0.02 0.00 0.00 41.25 42.52 1k42 s ASN 155 CO 0.30 -0.25 0.60 -0.89 -2.57 0.00 0.00 177.10 174.29 1k42 s THR 156 N 0.45 5.09 -0.25 1.60 2.01 -1.26 -2.66 115.64 120.62 1k42 s THR 156 Ca -0.00 1.18 -0.06 0.00 0.31 0.00 0.00 61.69 63.12 1k42 s THR 156 Cb -0.05 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1k42 s THR 156 CO -0.00 0.24 0.03 -0.63 -0.69 0.00 0.00 174.62 173.56 1k42 s ILE 157 N 1.06 3.86 -0.14 1.82 1.01 0.58 -1.31 121.20 128.09 1k42 s ILE 157 Ca 0.31 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1k42 s ILE 157 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1k42 s ILE 157 CO 0.13 0.31 0.13 -0.31 0.00 0.00 0.00 174.94 175.20 1k42 s TYR 158 N 1.53 3.53 0.00 3.97 1.51 -0.17 -1.31 117.35 126.41 1k42 s TYR 158 Ca 0.05 0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.61 1k42 s TYR 158 Cb -0.15 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1k42 s TYR 158 CO 0.01 0.62 -0.14 0.42 -1.11 0.00 0.00 175.55 175.34 1k42 s ILE 159 N -0.71 1.12 -0.29 2.71 1.01 -0.93 -1.72 121.20 122.39 1k42 s ILE 159 Ca 0.13 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 1k42 s ILE 159 Cb -0.12 -0.96 0.17 0.00 0.01 0.00 0.00 42.46 41.56 1k42 s ILE 159 CO 0.03 0.23 1.20 -0.62 0.00 0.00 0.00 174.94 175.77 1k42 s ASP 160 N -0.56 -0.26 0.00 3.58 -1.08 -0.59 -1.73 116.67 116.03 1k42 s ASP 160 Ca 0.04 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 1k42 s ASP 160 Cb -0.06 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 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 2.48 1.06 3.56 2.66 0.00 -1.25 -0.94 105.19 112.75 1k42 n GLY 161 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 1.79 -4.12 0.99 7.94 -1.24 -3.53 117.00 118.84 1k42 n LEU 162 Ca 0.00 -1.35 -0.19 0.00 -1.11 0.00 0.00 56.01 53.36 1k42 n LEU 162 Cb 0.00 -1.63 -0.13 0.00 0.53 0.00 0.00 43.42 42.19 1k42 n LEU 162 CO 0.00 -2.48 -0.45 0.00 -1.11 0.00 0.00 177.39 173.35 1k42 s ALA 163 N 14.21 1.06 -0.07 1.96 0.00 -0.54 -4.11 121.76 134.28 1k42 s ALA 163 Ca 0.95 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1k42 s ALA 163 Cb -0.16 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1k42 s ALA 163 CO 0.12 0.19 -0.16 0.42 0.00 0.00 0.00 175.76 176.32 1k42 s ILE 164 N -0.88 1.41 -0.10 0.00 1.01 -1.26 -2.12 121.20 119.26 1k42 s ILE 164 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1k42 s ILE 164 Cb -0.08 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 41.21 1k42 s ILE 164 CO 0.01 0.41 0.64 0.00 0.00 0.00 0.00 174.94 176.00 1k42 s ALA 165 N 0.42 -1.64 0.86 9.38 0.00 -0.97 -1.45 121.76 128.36 1k42 s ALA 165 Ca -0.13 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1k42 s ALA 165 Cb -0.15 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.81 1k42 s ALA 165 CO 0.04 -0.35 1.11 -1.54 0.00 0.00 0.00 175.76 175.02 1k42 s SER 166 N -0.82 3.92 -0.37 0.00 1.04 -1.26 -0.45 113.70 115.76 1k42 s SER 166 Ca -0.09 1.24 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1k42 s SER 166 Cb -0.02 -1.92 0.15 0.00 0.10 0.00 0.00 66.02 64.33 1k42 s SER 166 CO 0.07 -2.32 0.33 -1.58 0.98 0.00 0.00 173.24 170.71 1k42 s GLN 167 N -5.13 0.62 0.00 4.02 -0.44 -1.26 -4.84 119.66 112.63 1k42 s GLN 167 Ca 0.62 -1.04 0.29 0.00 -2.50 0.00 0.00 55.36 52.73 1k42 s GLN 167 Cb -0.15 -0.91 1.71 0.00 -1.64 0.00 0.00 33.01 32.02 1k42 s GLN 167 CO 0.55 -1.21 2.05 -0.35 0.50 0.00 0.00 175.29 176.83