#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k42 n LEU 2 N 0.00 0.00 -3.83 -0.89 4.77 -1.26 -5.14 117.00 110.65 1k42 n LEU 2 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1k42 n LEU 2 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1k42 n LEU 2 CO 0.00 -0.12 0.63 0.54 -1.33 0.00 0.00 177.39 177.10 1k42 s VAL 3 N 1.40 0.00 -0.01 4.08 0.11 -1.26 -5.06 120.40 119.66 1k42 s VAL 3 Ca 0.00 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 57.98 1k42 s VAL 3 Cb 0.00 -2.81 -0.13 0.00 -1.53 0.00 0.00 36.38 31.90 1k42 s VAL 3 CO 0.00 0.00 0.97 0.00 -3.33 0.00 0.00 175.10 172.74 1k42 h ALA 4 N 2.00 -0.61 -2.87 1.54 0.00 -1.39 -3.44 119.26 114.48 1k42 h ALA 4 Ca -0.30 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 53.77 1k42 h ALA 4 Cb 1.24 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1k42 h ALA 4 CO 0.38 -0.62 -0.53 0.54 0.00 0.00 0.00 179.25 179.02 1k42 s ASN 5 N -4.88 6.04 0.07 0.00 4.22 -1.26 -1.67 114.94 117.47 1k42 s ASN 5 Ca -0.12 0.33 0.02 0.00 -2.14 0.00 0.00 52.86 50.95 1k42 s ASN 5 Cb 0.01 -1.87 -0.04 0.00 1.28 0.00 0.00 41.25 40.63 1k42 s ASN 5 CO 0.41 0.36 0.15 -0.63 -2.04 0.00 0.00 177.10 175.34 1k42 s ILE 6 N -1.07 4.95 -1.19 0.54 1.09 -1.26 -4.31 121.20 119.95 1k42 s ILE 6 Ca 0.18 -0.59 0.00 0.00 -1.10 0.00 0.00 60.65 59.14 1k42 s ILE 6 Cb -0.12 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1k42 s ILE 6 CO 0.08 0.12 0.00 0.59 -0.10 0.00 0.00 174.94 175.63 1k42 n ASN 7 N 0.35 -4.75 0.25 3.58 4.13 -1.26 -3.88 115.26 113.67 1k42 n ASN 7 Ca -0.07 0.28 0.14 0.00 1.68 0.00 0.00 54.58 56.61 1k42 n ASN 7 Cb 0.51 -3.24 0.81 0.00 -1.54 0.00 0.00 39.78 36.32 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1k42 h GLY 8 N 0.00 0.00 -3.29 7.41 0.00 -1.75 -1.00 103.07 104.43 1k42 h GLY 8 Ca -0.23 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.63 1k42 h GLY 8 CO 0.34 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 177.11 1k42 n GLY 9 N -1.42 5.98 4.25 4.60 0.00 -1.26 -3.24 105.19 114.10 1k42 n GLY 9 Ca -0.01 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.85 -1.44 0.08 1.61 3.01 -0.38 -4.34 117.46 115.15 1k42 n PHE 10 Ca 0.44 0.70 -0.15 0.00 1.01 0.00 0.00 57.45 59.44 1k42 n PHE 10 Cb 0.90 -2.91 -0.08 0.00 -0.01 0.00 0.00 39.48 37.39 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 -1.57 0.41 0.00 -1.08 4.39 -1.81 -3.26 114.58 111.66 1k42 h GLU 11 Ca -0.63 -0.50 -0.05 0.00 0.34 0.00 0.00 59.36 58.53 1k42 h GLU 11 Cb 1.39 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 1k42 h GLU 11 CO 0.74 1.17 -0.96 1.03 -1.16 0.00 0.00 179.01 179.83 1k42 h SER 12 N 0.20 0.00 -2.85 1.42 0.87 -1.90 -3.45 113.55 107.84 1k42 h SER 12 Ca -0.11 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.89 1k42 h SER 12 Cb 1.71 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.64 1k42 h SER 12 CO 0.18 0.17 1.12 -0.89 -0.53 0.00 0.00 176.83 176.88 1k42 s THR 13 N -3.22 3.75 0.17 2.23 2.01 -1.23 -4.96 115.64 114.39 1k42 s THR 13 Ca 0.00 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 1k42 s THR 13 Cb 0.09 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1k42 s THR 13 CO 0.78 -0.37 1.04 -2.16 -0.69 0.00 0.00 174.62 173.21 1k42 s PRO 14 N 4.74 4.66 0.72 4.92 0.04 -1.26 -4.88 135.00 143.95 1k42 s PRO 14 Ca 0.69 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 1k42 s PRO 14 Cb -0.22 -3.31 -0.15 0.00 0.04 0.00 0.00 34.50 30.86 1k42 s PRO 14 CO 0.29 0.18 -0.41 0.00 0.04 0.00 0.00 177.00 177.10 1k42 n ALA 15 N 2.34 -4.11 0.00 8.56 0.00 -1.26 -4.81 120.51 121.23 1k42 n ALA 15 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1k42 n ALA 15 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 2.92 4.26 3.72 0.00 0.00 -1.18 -4.92 105.19 110.00 1k42 n GLY 16 Ca 0.04 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.18 1.80 -3.14 1.61 3.14 -1.26 -2.93 118.33 117.37 1k42 n VAL 17 Ca 0.00 -0.45 -0.37 0.00 -2.96 0.00 0.00 64.34 60.56 1k42 n VAL 17 Cb 0.00 -1.72 -0.06 0.00 -1.06 0.00 0.00 33.84 31.00 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 -0.89 4.59 -0.11 1.55 1.01 -0.34 -4.91 120.40 121.30 1k42 s VAL 18 Ca 0.57 1.31 0.16 0.00 0.00 0.00 0.00 61.98 64.01 1k42 s VAL 18 Cb -0.54 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 31.71 1k42 s VAL 18 CO 0.60 0.34 0.51 0.35 0.00 0.00 0.00 175.10 176.90 1k42 n THR 19 N 1.08 1.35 -3.71 3.92 -2.24 -1.26 -4.74 114.28 108.67 1k42 n THR 19 Ca -0.05 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 1k42 n THR 19 Cb 0.51 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 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 -5.74 3.88 0.54 3.42 1.11 -1.26 -4.98 116.67 113.64 1k42 s ASP 20 Ca -0.06 -1.52 0.38 0.00 0.18 0.00 0.00 52.55 51.53 1k42 s ASP 20 Cb 0.08 -0.79 1.56 0.00 1.07 0.00 0.00 42.92 44.84 1k42 s ASP 20 CO 0.83 -0.41 1.78 0.17 1.18 0.00 0.00 175.17 178.72 1k42 h LEU 21 N 8.14 0.01 -0.24 1.23 -0.00 -1.91 0.25 115.31 122.80 1k42 h LEU 21 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.74 1k42 h LEU 21 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 1k42 h LEU 21 CO 0.46 0.00 0.15 0.00 -0.00 0.00 0.00 178.44 179.04 1k42 h ALA 22 N 1.37 0.30 -0.75 0.17 0.00 -1.94 -2.55 119.26 115.85 1k42 h ALA 22 Ca 0.61 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 55.04 1k42 h ALA 22 Cb 2.41 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 19.85 1k42 h ALA 22 CO -0.02 -0.24 0.23 -0.85 0.00 0.00 0.00 179.25 178.37 1k42 n GLU 23 N -4.94 2.48 -0.04 0.00 0.28 0.77 -4.23 120.64 114.96 1k42 n GLU 23 Ca -0.02 -3.35 -0.13 0.00 -0.16 0.00 0.00 57.16 53.49 1k42 n GLU 23 Cb 0.03 -2.11 -0.11 0.00 1.43 0.00 0.00 31.44 30.68 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 1.49 -0.00 -4.51 -1.84 0.00 -0.92 -3.45 103.07 93.83 1k42 h GLY 24 Ca 0.45 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 47.09 1k42 h GLY 24 CO 0.96 -0.00 -0.88 0.14 0.00 0.00 0.00 176.54 176.76 1k42 s VAL 25 N -3.30 2.11 0.05 4.60 1.01 -1.00 -4.96 120.40 118.91 1k42 s VAL 25 Ca -0.17 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 1k42 s VAL 25 Cb -0.01 -1.76 -0.13 0.00 0.00 0.00 0.00 36.38 34.49 1k42 s VAL 25 CO 0.68 0.51 1.45 -0.08 0.00 0.00 0.00 175.10 177.66 1k42 h GLU 26 N 5.25 0.30 -0.04 2.72 4.81 -1.91 -2.88 114.58 122.83 1k42 h GLU 26 Ca -0.44 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1k42 h GLU 26 Cb 1.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1k42 h GLU 26 CO 0.46 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.71 1k42 n GLY 27 N -0.16 -0.03 2.79 1.92 0.00 -1.25 -4.74 105.19 103.72 1k42 n GLY 27 Ca -0.05 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.97 0.64 -0.15 1.61 0.52 -1.09 -1.38 118.94 117.13 1k42 s TRP 28 Ca 0.38 -0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.36 1k42 s TRP 28 Cb 0.20 -0.75 0.02 0.00 -1.15 0.00 0.00 33.47 31.79 1k42 s TRP 28 CO 0.33 -0.30 -0.19 -0.51 0.02 0.00 0.00 176.95 176.30 1k42 s ASP 29 N 1.79 2.93 0.50 2.95 1.11 0.13 -2.38 116.67 123.70 1k42 s ASP 29 Ca 0.02 -0.57 0.08 0.00 0.18 0.00 0.00 52.55 52.26 1k42 s ASP 29 Cb -0.13 -1.35 0.04 0.00 1.07 0.00 0.00 42.92 42.56 1k42 s ASP 29 CO -0.04 0.02 0.68 -0.76 1.18 0.00 0.00 175.17 176.25 1k42 s LEU 30 N 1.09 3.40 -0.29 1.23 1.43 -0.99 -1.86 118.68 122.69 1k42 s LEU 30 Ca -0.01 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1k42 s LEU 30 Cb -0.14 -2.26 0.11 0.00 0.03 0.00 0.00 46.19 43.93 1k42 s LEU 30 CO -0.07 -1.04 0.68 0.20 0.23 0.00 0.00 176.35 176.35 1k42 s ASN 31 N -4.49 -1.06 -0.11 2.29 0.01 -0.40 -3.82 114.94 107.36 1k42 s ASN 31 Ca 0.58 1.53 -0.02 0.00 -0.71 0.00 0.00 52.86 54.24 1k42 s ASN 31 Cb -0.08 1.97 -0.03 0.00 0.41 0.00 0.00 41.25 43.52 1k42 s ASN 31 CO 0.36 -0.22 -0.03 0.68 -1.51 0.00 0.00 177.10 176.38 1k42 s VAL 32 N 2.45 4.01 0.53 1.60 -7.23 -1.26 -2.62 120.40 117.88 1k42 s VAL 32 Ca -0.07 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.83 1k42 s VAL 32 Cb -0.09 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.22 1k42 s VAL 32 CO -0.19 0.56 0.63 0.61 -0.31 0.00 0.00 175.10 176.40 1k42 n GLY 33 N 2.68 2.21 0.24 2.32 0.00 -1.14 -4.95 105.19 106.54 1k42 n GLY 33 Ca -0.18 -2.24 0.15 0.00 0.00 0.00 0.00 46.02 43.75 1k42 n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1k42 h SER 34 N 0.25 0.00 -0.65 1.61 0.02 -1.92 -1.23 113.55 111.62 1k42 h SER 34 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1k42 h SER 34 Cb 1.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1k42 h SER 34 CO 0.40 0.00 0.38 0.77 -1.14 0.00 0.00 176.83 177.24 1k42 h SER 35 N 0.00 0.80 -0.42 3.07 4.64 -1.90 -3.36 113.55 116.38 1k42 h SER 35 Ca 0.00 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1k42 h SER 35 Cb 0.10 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1k42 h SER 35 CO 0.00 0.63 0.19 -0.69 -0.87 0.00 0.00 176.83 176.09 1k42 s VAL 36 N -5.65 3.11 0.20 0.95 1.01 -0.47 -4.32 120.40 115.23 1k42 s VAL 36 Ca -0.10 -0.10 0.14 0.00 0.00 0.00 0.00 61.98 61.92 1k42 s VAL 36 Cb 0.17 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1k42 s VAL 36 CO 0.78 -0.23 1.64 0.74 0.00 0.00 0.00 175.10 178.02 1k42 h THR 37 N 7.53 1.19 -3.79 3.92 2.02 -1.80 -3.43 112.91 118.55 1k42 h THR 37 Ca 0.03 -1.94 -0.68 0.00 0.77 0.00 0.00 66.41 64.58 1k42 h THR 37 Cb 1.00 2.11 -0.20 0.00 -1.74 0.00 0.00 68.15 69.32 1k42 h THR 37 CO 1.05 0.52 -0.74 0.54 0.37 0.00 0.00 175.52 177.26 1k42 s ASN 38 N -6.64 4.31 -0.40 4.18 6.03 -1.26 -5.07 114.94 116.09 1k42 s ASN 38 Ca -0.00 -0.20 -0.29 0.00 -1.03 0.00 0.00 52.86 51.34 1k42 s ASN 38 Cb 0.12 -0.94 0.01 0.00 -3.03 0.00 0.00 41.25 37.41 1k42 s ASN 38 CO 0.73 0.30 1.32 -2.16 -2.03 0.00 0.00 177.10 175.26 1k42 s PRO 39 N -1.20 3.70 0.99 3.55 0.04 -1.26 -4.93 135.00 135.89 1k42 s PRO 39 Ca 0.15 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1k42 s PRO 39 Cb -0.11 -3.96 0.20 0.00 0.04 0.00 0.00 34.50 30.68 1k42 s PRO 39 CO 0.05 -1.41 1.27 -1.25 0.04 0.00 0.00 177.00 175.70 1k42 s PRO 40 N 4.62 0.43 -0.18 0.56 0.04 -1.26 -4.96 135.00 134.25 1k42 s PRO 40 Ca 0.57 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1k42 s PRO 40 Cb -0.13 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1k42 s PRO 40 CO 0.30 -2.57 -0.17 0.08 0.04 0.00 0.00 177.00 174.68 1k42 s VAL 41 N -3.69 2.38 -0.30 -0.36 1.01 -1.13 -4.92 120.40 113.37 1k42 s VAL 41 Ca 0.72 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1k42 s VAL 41 Cb -0.06 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1k42 s VAL 41 CO 0.53 0.51 0.07 -0.36 0.00 0.00 0.00 175.10 175.85 1k42 s PHE 42 N 1.25 3.18 0.05 5.22 0.08 -1.26 -1.78 117.98 124.72 1k42 s PHE 42 Ca 0.03 -1.26 -0.15 0.00 0.12 0.00 0.00 56.93 55.68 1k42 s PHE 42 Cb -0.14 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1k42 s PHE 42 CO -0.09 -0.66 0.33 -2.00 -0.10 0.00 0.00 175.22 172.70 1k42 s GLU 43 N 1.43 0.86 0.01 0.44 2.12 -1.01 -1.20 118.70 121.35 1k42 s GLU 43 Ca 0.00 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 1k42 s GLU 43 Cb -0.18 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 1k42 s GLU 43 CO 0.01 -0.29 0.37 0.08 -0.54 0.00 0.00 175.26 174.90 1k42 s VAL 44 N -2.71 5.11 -0.20 3.70 1.01 -1.15 -0.11 120.40 126.06 1k42 s VAL 44 Ca -0.04 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1k42 s VAL 44 Cb -0.00 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1k42 s VAL 44 CO -0.04 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 1k42 s LEU 45 N -1.32 2.48 -0.39 3.92 2.01 -0.52 -3.08 118.68 121.79 1k42 s LEU 45 Ca 0.25 -0.67 -0.12 0.00 0.01 0.00 0.00 54.13 53.60 1k42 s LEU 45 Cb -0.15 -1.56 0.03 0.00 0.01 0.00 0.00 46.19 44.52 1k42 s LEU 45 CO 0.14 -0.03 0.23 -1.61 1.01 0.00 0.00 176.35 176.09 1k42 s GLU 46 N 1.32 2.84 0.34 1.70 2.02 -1.26 -2.69 118.70 122.96 1k42 s GLU 46 Ca 0.04 -1.09 0.03 0.00 0.02 0.00 0.00 54.97 53.97 1k42 s GLU 46 Cb -0.14 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.29 1k42 s GLU 46 CO -0.10 -0.73 0.39 0.25 0.02 0.00 0.00 175.26 175.09 1k42 n THR 47 N 5.03 0.00 -1.26 3.63 -2.24 -1.03 -5.03 114.28 113.39 1k42 n THR 47 Ca -0.12 -2.06 -0.20 0.00 -2.27 0.00 0.00 64.05 59.40 1k42 n THR 47 Cb 0.46 1.14 0.19 0.00 -2.10 0.00 0.00 70.33 70.02 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 -1.67 3.59 -0.00 3.42 7.64 -1.26 -4.19 113.62 121.15 1k42 n SER 48 Ca 0.04 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.30 1k42 n SER 48 Cb 0.59 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.10 2.12 -4.30 6.43 9.92 -1.26 -5.05 116.55 123.30 1k42 n ASP 49 Ca 0.55 -0.29 -0.37 0.00 -0.53 0.00 0.00 54.79 54.15 1k42 n ASP 49 Cb 1.56 1.01 0.05 0.00 -0.64 0.00 0.00 41.12 43.10 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k42 n ALA 50 N -1.23 -2.88 0.09 2.24 0.00 -1.26 -4.88 120.51 112.58 1k42 n ALA 50 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1k42 n ALA 50 Cb 0.01 -1.58 -0.08 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.50 0.25 -3.15 0.00 0.13 -1.93 -3.41 132.00 123.39 1k42 h PRO 51 Ca -0.44 -0.34 -0.61 0.00 -0.87 0.00 0.00 66.00 63.74 1k42 h PRO 51 Cb 1.36 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 32.20 1k42 h PRO 51 CO 0.37 1.10 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.51 1k42 s GLU 52 N -2.94 1.25 2.88 0.86 2.12 -1.26 -5.03 118.70 116.58 1k42 s GLU 52 Ca -0.04 -1.91 0.00 0.00 0.36 0.00 0.00 54.97 53.39 1k42 s GLU 52 Cb 0.09 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1k42 s GLU 52 CO 0.86 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1k42 n GLY 53 N 3.73 1.33 1.03 -1.50 0.00 -1.26 -4.41 105.19 104.11 1k42 n GLY 53 Ca 0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 3.25 -1.01 -3.89 1.61 0.23 -1.26 -4.42 115.26 109.78 1k42 n ASN 54 Ca 0.00 -2.00 -0.19 0.00 -0.53 0.00 0.00 54.58 51.86 1k42 n ASN 54 Cb 0.00 0.31 -0.16 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.00 0.70 0.31 -3.83 1.02 -1.26 -2.46 119.74 114.22 1k42 s LYS 55 Ca 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.85 1k42 s LYS 55 Cb 0.01 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1k42 s LYS 55 CO -0.00 -0.07 0.47 0.14 -0.92 0.00 0.00 175.35 174.97 1k42 s VAL 56 N 0.82 0.00 -0.47 3.17 -7.23 -1.10 -4.38 120.40 111.21 1k42 s VAL 56 Ca -0.10 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 1k42 s VAL 56 Cb -0.13 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.39 1k42 s VAL 56 CO -0.00 0.00 0.35 -0.22 -0.31 0.00 0.00 175.10 174.92 1k42 s LEU 57 N -3.17 5.67 -0.29 1.32 2.96 -0.71 -1.44 118.68 123.03 1k42 s LEU 57 Ca 0.28 -1.82 -0.28 0.00 -0.22 0.00 0.00 54.13 52.10 1k42 s LEU 57 Cb -0.00 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1k42 s LEU 57 CO 0.16 -0.69 0.99 0.00 -1.32 0.00 0.00 176.35 175.50 1k42 s ALA 58 N 1.41 3.57 0.03 5.97 0.00 0.85 -2.35 121.76 131.24 1k42 s ALA 58 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1k42 s ALA 58 Cb -0.26 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1k42 s ALA 58 CO 0.00 -1.26 -0.16 0.08 0.00 0.00 0.00 175.76 174.42 1k42 s VAL 59 N 3.33 2.95 -0.61 0.00 1.01 -0.44 -2.39 120.40 124.25 1k42 s VAL 59 Ca 0.42 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1k42 s VAL 59 Cb -0.14 -2.25 0.16 0.00 0.00 0.00 0.00 36.38 34.15 1k42 s VAL 59 CO 0.11 0.35 0.48 -0.89 0.00 0.00 0.00 175.10 175.16 1k42 s THR 60 N -0.94 4.37 -0.29 3.92 2.01 -0.73 -0.38 115.64 123.60 1k42 s THR 60 Ca 0.15 -2.38 -0.20 0.00 0.31 0.00 0.00 61.69 59.57 1k42 s THR 60 Cb -0.11 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1k42 s THR 60 CO 0.06 -0.87 0.62 -0.69 -0.69 0.00 0.00 174.62 173.05 1k42 s VAL 61 N 0.56 4.95 -0.42 3.82 1.01 -1.08 -2.86 120.40 126.37 1k42 s VAL 61 Ca 0.13 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1k42 s VAL 61 Cb -0.20 -3.98 0.34 0.00 0.00 0.00 0.00 36.38 32.54 1k42 s VAL 61 CO -0.04 -0.09 1.03 -0.46 0.00 0.00 0.00 175.10 175.54 1k42 n ASN 62 N 5.82 -1.32 0.00 3.32 0.23 -1.26 -2.06 115.26 119.99 1k42 n ASN 62 Ca -0.01 -3.37 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 1k42 n ASN 62 Cb 0.49 1.08 0.00 0.00 -2.08 0.00 0.00 39.78 39.27 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 0.23 -0.35 0.94 4.83 0.00 -1.26 -4.83 105.19 104.75 1k42 n GLY 63 Ca 0.10 0.61 -0.07 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.72 1.61 0.24 -1.26 -4.34 118.33 111.86 1k42 n VAL 64 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1k42 n VAL 64 Cb 0.00 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 30.71 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 2.97 5.42 1.11 7.63 0.00 -1.26 -4.53 105.19 116.53 1k42 n GLY 65 Ca 0.04 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 3.22 -4.21 1.61 4.13 -1.26 -4.89 115.26 113.86 1k42 n ASN 66 Ca 0.00 -2.00 -0.22 0.00 1.68 0.00 0.00 54.58 54.03 1k42 n ASN 66 Cb 0.00 -0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 37.70 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 -1.00 2.10 0.00 6.41 0.01 -1.26 -5.01 114.94 116.19 1k42 s ASN 67 Ca 0.40 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1k42 s ASN 67 Cb 0.21 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.73 1k42 s ASN 67 CO 0.27 0.07 0.81 -0.81 -1.51 0.00 0.00 177.10 175.93 1k42 n PRO 68 N 1.70 0.92 -2.83 -0.60 -0.04 -1.26 -3.85 135.00 129.04 1k42 n PRO 68 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 1k42 n PRO 68 Cb 0.54 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.68 -0.00 0.54 2.14 -1.26 -4.78 117.44 115.40 1k42 n TRP 69 Ca 0.00 -3.34 -0.00 0.00 2.07 0.00 0.00 57.50 56.23 1k42 n TRP 69 Cb 0.06 -0.35 -0.00 0.00 -0.81 0.00 0.00 31.31 30.20 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 2.92 -0.01 -3.36 -0.67 5.19 -1.66 -3.38 116.42 115.45 1k42 h ASP 70 Ca 0.07 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.85 1k42 h ASP 70 Cb 0.97 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.29 1k42 h ASP 70 CO 0.61 0.04 -0.61 -0.63 -3.12 0.00 0.00 179.24 175.53 1k42 s ILE 71 N -1.23 4.38 -0.02 0.35 1.09 -0.50 -2.89 121.20 122.38 1k42 s ILE 71 Ca -0.00 -0.17 0.04 0.00 -1.10 0.00 0.00 60.65 59.42 1k42 s ILE 71 Cb 0.00 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.42 1k42 s ILE 71 CO 0.00 0.45 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.54 1k42 s GLU 72 N 0.60 1.29 -0.08 2.79 2.02 -1.08 0.59 118.70 124.84 1k42 s GLU 72 Ca 0.01 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.54 1k42 s GLU 72 Cb -0.14 -1.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.88 1k42 s GLU 72 CO 0.02 0.27 -0.24 0.00 0.02 0.00 0.00 175.26 175.33 1k42 s ALA 73 N -0.17 2.13 0.15 5.21 0.00 -0.27 -1.28 121.76 127.53 1k42 s ALA 73 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1k42 s ALA 73 Cb -0.07 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1k42 s ALA 73 CO 0.00 0.33 -0.01 0.99 0.00 0.00 0.00 175.76 177.07 1k42 s THR 74 N 0.15 0.64 -0.03 0.00 2.01 -0.78 0.34 115.64 117.96 1k42 s THR 74 Ca -0.13 -1.96 0.06 0.00 0.31 0.00 0.00 61.69 59.97 1k42 s THR 74 Cb -0.16 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1k42 s THR 74 CO 0.07 -0.60 -0.22 0.00 -0.69 0.00 0.00 174.62 173.18 1k42 s ALA 75 N -3.68 1.88 0.00 7.40 0.00 -0.99 -0.69 121.76 125.68 1k42 s ALA 75 Ca 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1k42 s ALA 75 Cb 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1k42 s ALA 75 CO 0.01 0.41 0.00 1.97 0.00 0.00 0.00 175.76 178.15 1k42 n PHE 76 N 2.79 0.00 -1.89 0.00 1.16 -0.48 -2.58 117.46 116.46 1k42 n PHE 76 Ca -0.17 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.11 1k42 n PHE 76 Cb 0.52 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.45 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 2.71 0.22 3.97 0.04 -1.26 -4.37 135.00 134.31 1k42 s PRO 77 Ca 0.00 0.40 0.11 0.00 0.04 0.00 0.00 61.00 61.56 1k42 s PRO 77 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1k42 s PRO 77 CO 0.00 -1.13 -0.22 0.08 0.04 0.00 0.00 177.00 175.77 1k42 s VAL 78 N -3.39 2.37 -0.14 -0.36 1.01 -0.29 -4.11 120.40 115.48 1k42 s VAL 78 Ca 0.59 -2.17 0.01 0.00 0.00 0.00 0.00 61.98 60.41 1k42 s VAL 78 Cb -0.11 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1k42 s VAL 78 CO 0.51 -0.24 -0.15 0.20 0.00 0.00 0.00 175.10 175.42 1k42 s ASN 79 N -2.99 2.67 0.17 3.32 0.01 -0.67 -2.80 114.94 114.66 1k42 s ASN 79 Ca 0.24 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 1k42 s ASN 79 Cb -0.07 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.40 1k42 s ASN 79 CO 0.12 -0.02 0.06 1.33 -1.51 0.00 0.00 177.10 177.07 1k42 n VAL 80 N 4.53 0.00 -4.06 1.60 0.24 -0.72 -4.36 118.33 115.56 1k42 n VAL 80 Ca -0.18 -1.00 -0.14 0.00 -2.04 0.00 0.00 64.34 60.98 1k42 n VAL 80 Cb 0.50 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 33.09 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 -2.66 0.37 -0.29 7.34 0.52 -1.26 -4.72 118.95 118.25 1k42 s ARG 81 Ca 0.08 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 1k42 s ARG 81 Cb 0.00 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.23 1k42 s ARG 81 CO 0.06 0.06 1.28 -1.25 0.02 0.00 0.00 175.30 175.47 1k42 s PRO 82 N -0.65 3.95 0.00 3.54 0.04 -1.26 -3.01 135.00 137.60 1k42 s PRO 82 Ca -0.04 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1k42 s PRO 82 Cb -0.05 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1k42 s PRO 82 CO -0.00 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1k42 n GLY 83 N 4.23 2.83 3.85 0.56 0.00 -1.26 -5.05 105.19 110.35 1k42 n GLY 83 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.77 4.68 -0.14 1.61 1.01 -1.16 -4.99 120.40 118.64 1k42 s VAL 84 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 1k42 s VAL 84 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1k42 s VAL 84 CO 0.00 -0.17 0.25 -0.89 0.00 0.00 0.00 175.10 174.29 1k42 s THR 85 N -1.97 5.32 0.34 3.92 2.01 -1.26 -4.19 115.64 119.81 1k42 s THR 85 Ca 0.54 0.46 0.08 0.00 0.31 0.00 0.00 61.69 63.08 1k42 s THR 85 Cb -0.10 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1k42 s THR 85 CO 0.18 0.46 0.13 -0.31 -0.69 0.00 0.00 174.62 174.38 1k42 s TYR 86 N 0.00 2.70 0.18 4.92 1.51 -0.83 -4.46 117.35 121.37 1k42 s TYR 86 Ca 0.16 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.93 1k42 s TYR 86 Cb -0.13 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1k42 s TYR 86 CO 0.04 0.36 -0.12 0.99 -1.11 0.00 0.00 175.55 175.71 1k42 s THR 87 N -2.42 3.05 -0.12 -0.71 2.01 0.05 -2.83 115.64 114.66 1k42 s THR 87 Ca 0.37 -1.70 -0.01 0.00 0.31 0.00 0.00 61.69 60.66 1k42 s THR 87 Cb -0.03 -2.50 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1k42 s THR 87 CO 0.22 -0.10 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.54 1k42 s TYR 88 N -1.67 1.31 0.01 4.92 6.14 -0.70 -2.28 117.35 125.08 1k42 s TYR 88 Ca 0.24 -0.68 0.02 0.00 0.64 0.00 0.00 57.07 57.29 1k42 s TYR 88 Cb -0.09 -1.14 -0.01 0.00 0.42 0.00 0.00 41.96 41.14 1k42 s TYR 88 CO 0.14 -0.50 -0.06 0.99 0.64 0.00 0.00 175.55 176.76 1k42 s THR 89 N 1.76 0.48 0.16 4.34 2.01 -1.03 -1.22 115.64 122.15 1k42 s THR 89 Ca 0.04 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1k42 s THR 89 Cb -0.13 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.92 1k42 s THR 89 CO -0.07 -0.05 0.35 -0.51 -0.69 0.00 0.00 174.62 173.65 1k42 s ILE 90 N -0.57 0.07 -0.08 1.82 2.07 -0.34 -1.38 121.20 122.78 1k42 s ILE 90 Ca -0.02 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.14 1k42 s ILE 90 Cb -0.05 -1.61 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1k42 s ILE 90 CO 0.00 -0.30 -0.09 0.26 -1.91 0.00 0.00 174.94 172.91 1k42 s TRP 91 N -3.91 1.29 0.10 3.50 0.52 0.07 -1.64 118.94 118.88 1k42 s TRP 91 Ca 0.11 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.80 1k42 s TRP 91 Cb 0.02 -1.03 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 1k42 s TRP 91 CO -0.04 -0.34 -0.17 0.00 0.02 0.00 0.00 176.95 176.43 1k42 s ALA 92 N 1.10 2.71 -0.30 0.98 0.00 -1.15 -1.48 121.76 123.62 1k42 s ALA 92 Ca -0.07 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1k42 s ALA 92 Cb -0.14 -0.70 0.14 0.00 0.00 0.00 0.00 23.12 22.42 1k42 s ALA 92 CO -0.01 0.60 0.79 0.50 0.00 0.00 0.00 175.76 177.63 1k42 s ARG 93 N -2.04 0.47 0.26 0.00 3.52 -0.59 -1.42 118.95 119.16 1k42 s ARG 93 Ca 0.18 1.16 0.07 0.00 -0.13 0.00 0.00 55.73 57.00 1k42 s ARG 93 Cb -0.11 0.67 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1k42 s ARG 93 CO 0.10 -0.16 0.22 0.00 -0.81 0.00 0.00 175.30 174.65 1k42 s ALA 94 N 2.65 3.64 0.13 6.12 0.00 -1.04 -0.93 121.76 132.33 1k42 s ALA 94 Ca -0.05 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1k42 s ALA 94 Cb -0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1k42 s ALA 94 CO -0.18 0.22 1.73 1.49 0.00 0.00 0.00 175.76 179.02 1k42 h GLU 95 N 1.44 0.12 -6.62 0.00 4.22 -1.48 -3.37 114.58 108.89 1k42 h GLU 95 Ca -0.48 -0.01 -0.68 0.00 0.08 0.00 0.00 59.36 58.27 1k42 h GLU 95 Cb 1.24 -0.03 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 1k42 h GLU 95 CO 0.60 0.08 -0.81 -0.65 -2.18 0.00 0.00 179.01 176.05 1k42 s GLN 96 N -6.18 1.99 0.50 1.92 -0.21 -1.26 -4.80 119.66 111.62 1k42 s GLN 96 Ca -0.13 -1.04 -0.22 0.00 0.02 0.00 0.00 55.36 53.99 1k42 s GLN 96 Cb 0.10 -2.16 -0.06 0.00 1.00 0.00 0.00 33.01 31.89 1k42 s GLN 96 CO 0.69 0.52 1.26 0.16 -2.12 0.00 0.00 175.29 175.81 1k42 s ASP 97 N -1.59 5.73 0.00 5.90 1.47 -1.26 -4.23 116.67 122.69 1k42 s ASP 97 Ca 0.15 2.54 0.00 0.00 1.18 0.00 0.00 52.55 56.42 1k42 s ASP 97 Cb -0.10 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 1k42 s ASP 97 CO 0.06 -1.24 0.00 0.61 0.68 0.00 0.00 175.17 175.28 1k42 n GLY 98 N 0.59 1.91 3.35 2.12 0.00 -1.11 -4.96 105.19 107.08 1k42 n GLY 98 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 2.32 0.25 4.61 0.00 -1.20 -4.47 121.76 121.26 1k42 s ALA 99 Ca 0.00 -1.05 0.11 0.00 0.00 0.00 0.00 51.96 51.02 1k42 s ALA 99 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1k42 s ALA 99 CO 0.00 0.49 -0.13 0.08 0.00 0.00 0.00 175.76 176.20 1k42 s VAL 100 N -0.47 2.88 0.16 0.00 1.01 -1.05 0.59 120.40 123.53 1k42 s VAL 100 Ca 0.06 -2.08 -0.16 0.00 0.00 0.00 0.00 61.98 59.79 1k42 s VAL 100 Cb -0.11 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1k42 s VAL 100 CO 0.01 -0.31 0.44 -0.69 0.00 0.00 0.00 175.10 174.55 1k42 s VAL 101 N -2.22 0.05 -0.13 2.92 1.01 -1.17 -4.50 120.40 116.37 1k42 s VAL 101 Ca 0.28 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1k42 s VAL 101 Cb -0.06 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1k42 s VAL 101 CO 0.16 -0.22 -0.20 -0.44 0.00 0.00 0.00 175.10 174.40 1k42 s SER 102 N -2.86 2.89 -0.31 3.32 0.01 -1.17 -2.70 113.70 112.87 1k42 s SER 102 Ca 0.08 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1k42 s SER 102 Cb 0.01 -1.33 0.09 0.00 0.21 0.00 0.00 66.02 64.99 1k42 s SER 102 CO -0.06 0.06 -0.00 -0.36 0.41 0.00 0.00 173.24 173.29 1k42 s PHE 103 N 0.86 3.59 0.31 2.43 0.40 -1.03 -1.23 117.98 123.31 1k42 s PHE 103 Ca -0.07 -2.75 0.05 0.00 -0.60 0.00 0.00 56.93 53.56 1k42 s PHE 103 Cb -0.15 -2.58 -0.06 0.00 0.51 0.00 0.00 43.02 40.73 1k42 s PHE 103 CO -0.02 -0.92 0.01 0.95 0.70 0.00 0.00 175.22 175.94 1k42 s THR 104 N 0.98 1.35 0.15 0.64 -4.23 -1.14 -2.33 115.64 111.07 1k42 s THR 104 Ca 0.04 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1k42 s THR 104 Cb -0.19 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1k42 s THR 104 CO -0.07 -0.13 -0.14 0.68 -0.54 0.00 0.00 174.62 174.42 1k42 s VAL 105 N -3.20 1.50 0.02 2.29 -7.23 -1.16 -1.91 120.40 110.71 1k42 s VAL 105 Ca 0.33 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1k42 s VAL 105 Cb 0.07 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.27 1k42 s VAL 105 CO 0.14 -0.49 0.38 0.61 -0.31 0.00 0.00 175.10 175.43 1k42 n GLY 106 N 0.15 0.71 0.00 2.32 0.00 -1.01 -2.35 105.19 105.01 1k42 n GLY 106 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.58 1.35 -0.09 1.61 0.23 -0.84 -1.47 115.26 115.47 1k42 n ASN 107 Ca 0.01 -0.94 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 1k42 n ASN 107 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.00 0.68 -0.10 -3.83 3.00 -1.26 -2.47 117.38 113.40 1k42 n GLN 108 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1k42 n GLN 108 Cb 0.00 -1.06 0.10 0.00 0.00 0.00 0.00 30.24 29.27 1k42 n GLN 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1k42 n SER 109 N -0.38 2.47 0.00 1.08 7.64 -1.26 -4.94 113.62 118.23 1k42 n SER 109 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1k42 n SER 109 Cb 0.03 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1k42 n SER 109 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k42 n PHE 110 N 0.29 0.00 -1.68 1.43 3.72 -1.03 -5.01 117.46 115.18 1k42 n PHE 110 Ca 0.08 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.17 1k42 n PHE 110 Cb 0.34 -0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.07 3.12 -0.01 -1.08 -1.52 -1.26 -4.84 119.66 114.00 1k42 s GLN 111 Ca 0.00 0.93 0.01 0.00 -1.95 0.00 0.00 55.36 54.35 1k42 s GLN 111 Cb 0.00 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.79 1k42 s GLN 111 CO 0.00 -0.95 -0.01 -2.00 -0.25 0.00 0.00 175.29 172.08 1k42 s GLU 112 N -4.97 0.23 0.00 2.91 2.12 -1.26 -1.98 118.70 115.74 1k42 s GLU 112 Ca 0.58 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.90 1k42 s GLU 112 Cb -0.13 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 33.94 1k42 s GLU 112 CO 0.53 -0.04 0.00 0.66 -0.54 0.00 0.00 175.26 175.87 1k42 n TYR 113 N 3.54 0.00 -2.04 5.30 4.01 -0.99 -4.91 117.16 122.06 1k42 n TYR 113 Ca -0.19 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.25 1k42 n TYR 113 Cb 0.55 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.51 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 -2.69 1.62 -0.29 2.72 0.00 -1.26 -4.95 107.32 102.48 1k42 s GLY 114 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.45 1k42 s GLY 114 CO 0.00 -0.01 0.55 -1.60 0.00 0.00 0.00 173.10 172.04 1k42 s ARG 115 N -5.16 0.52 -0.42 2.90 3.52 -1.26 -3.00 118.95 116.06 1k42 s ARG 115 Ca 0.55 0.63 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 1k42 s ARG 115 Cb -0.11 0.20 0.23 0.00 -1.56 0.00 0.00 34.95 33.71 1k42 s ARG 115 CO 0.51 -0.88 0.55 1.47 -0.81 0.00 0.00 175.30 176.14 1k42 n LEU 116 N 5.41 -0.65 -4.61 -0.88 -0.00 -0.98 -5.04 117.00 110.25 1k42 n LEU 116 Ca 0.02 -4.31 -0.24 0.00 -0.00 0.00 0.00 56.01 51.48 1k42 n LEU 116 Cb 0.52 0.66 -0.08 0.00 -0.00 0.00 0.00 43.42 44.51 1k42 n LEU 116 CO -0.02 2.00 -0.34 -1.38 -0.00 0.00 0.00 177.39 177.66 1k42 s HIS 117 N -0.50 2.55 -0.16 1.47 -3.43 -1.26 -2.45 115.29 111.50 1k42 s HIS 117 Ca 0.34 -0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 54.23 1k42 s HIS 117 Cb 0.14 -1.33 -0.00 0.00 -1.43 0.00 0.00 32.58 29.95 1k42 s HIS 117 CO -0.15 0.55 0.14 -1.91 -2.00 0.00 0.00 174.74 171.37 1k42 n GLU 118 N -0.89 -0.72 -4.75 -0.38 2.13 -1.10 -4.93 120.64 110.01 1k42 n GLU 118 Ca -0.05 0.12 -0.25 0.00 0.66 0.00 0.00 57.16 57.65 1k42 n GLU 118 Cb 0.61 -2.68 -0.15 0.00 0.27 0.00 0.00 31.44 29.49 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 -3.86 1.37 0.64 5.31 -1.52 -1.21 -4.99 119.66 115.40 1k42 s GLN 119 Ca 0.02 -0.71 -0.14 0.00 -1.95 0.00 0.00 55.36 52.58 1k42 s GLN 119 Cb -0.00 -1.37 -0.01 0.00 -0.22 0.00 0.00 33.01 31.41 1k42 s GLN 119 CO 0.10 0.37 1.07 -0.65 -0.25 0.00 0.00 175.29 175.92 1k42 s GLN 120 N -0.66 3.08 -0.02 2.91 -1.52 -1.26 -3.02 119.66 119.17 1k42 s GLN 120 Ca 0.06 1.15 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 1k42 s GLN 120 Cb -0.07 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 1k42 s GLN 120 CO 0.00 -1.00 -0.08 0.42 -0.25 0.00 0.00 175.29 174.39 1k42 s ILE 121 N -2.63 0.65 0.84 1.08 -1.09 0.20 -4.92 121.20 115.33 1k42 s ILE 121 Ca 0.62 -0.31 -0.10 0.00 -2.23 0.00 0.00 60.65 58.64 1k42 s ILE 121 Cb -0.16 -0.58 0.19 0.00 -1.58 0.00 0.00 42.46 40.32 1k42 s ILE 121 CO 0.44 0.21 1.15 0.35 -1.23 0.00 0.00 174.94 175.85 1k42 n THR 122 N 3.21 0.00 1.81 2.92 -2.24 -1.26 -2.75 114.28 115.97 1k42 n THR 122 Ca -0.17 -1.15 0.14 0.00 -2.27 0.00 0.00 64.05 60.60 1k42 n THR 122 Cb 0.55 -1.30 0.82 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.39 0.00 -3.39 4.28 -2.24 -1.26 -2.48 114.28 105.80 1k42 n THR 123 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1k42 n THR 123 Cb 0.56 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.98 1.74 -3.52 -0.78 1.02 -1.26 -4.40 120.64 112.46 1k42 n GLU 124 Ca 0.21 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.97 1k42 n GLU 124 Cb 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.17 3.27 -0.24 -0.32 0.52 -1.25 -3.60 118.94 117.49 1k42 s TRP 125 Ca 0.00 0.29 -0.07 0.00 0.02 0.00 0.00 56.10 56.35 1k42 s TRP 125 Cb 0.00 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 1k42 s TRP 125 CO 0.00 -0.11 0.05 -0.65 0.02 0.00 0.00 176.95 176.26 1k42 s GLN 126 N 1.62 3.65 -0.52 4.98 -0.21 -0.50 -4.85 119.66 123.82 1k42 s GLN 126 Ca 0.11 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.72 1k42 s GLN 126 Cb -0.15 -3.25 0.03 0.00 1.00 0.00 0.00 33.01 30.63 1k42 s GLN 126 CO 0.09 -0.13 1.18 -1.25 -2.12 0.00 0.00 175.29 173.05 1k42 s PRO 127 N 1.43 3.62 -0.09 2.91 0.04 -1.26 -2.94 135.00 138.70 1k42 s PRO 127 Ca 0.05 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.54 1k42 s PRO 127 Cb -0.15 -3.96 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 1k42 s PRO 127 CO 0.03 -1.53 -0.11 -0.06 0.04 0.00 0.00 177.00 175.37 1k42 s PHE 128 N 4.75 2.83 0.32 0.56 0.08 -0.65 -4.95 117.98 120.92 1k42 s PHE 128 Ca 0.46 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 57.18 1k42 s PHE 128 Cb -0.07 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1k42 s PHE 128 CO 0.29 0.09 0.53 -0.08 -0.10 0.00 0.00 175.22 175.95 1k42 s THR 129 N -0.32 0.00 0.04 0.64 -1.32 -1.26 -1.20 115.64 112.23 1k42 s THR 129 Ca 0.04 -1.45 -0.22 0.00 -1.21 0.00 0.00 61.69 58.85 1k42 s THR 129 Cb -0.13 -2.55 0.07 0.00 -1.51 0.00 0.00 72.50 68.39 1k42 s THR 129 CO 0.02 0.00 1.00 2.22 -2.21 0.00 0.00 174.62 175.65 1k42 n PHE 130 N -0.50 -0.66 -4.21 9.09 1.16 -0.36 -4.99 117.46 116.99 1k42 n PHE 130 Ca -0.01 -0.77 -0.16 0.00 -1.87 0.00 0.00 57.45 54.64 1k42 n PHE 130 Cb 0.61 0.36 -0.11 0.00 -1.61 0.00 0.00 39.48 38.73 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 -2.02 0.94 0.16 3.97 2.02 -1.26 -1.72 118.70 120.79 1k42 s GLU 131 Ca 0.23 -1.21 -0.25 0.00 0.02 0.00 0.00 54.97 53.76 1k42 s GLU 131 Cb -0.01 -0.72 0.06 0.00 0.10 0.00 0.00 34.13 33.56 1k42 s GLU 131 CO 0.01 0.13 0.89 -0.06 0.02 0.00 0.00 175.26 176.25 1k42 s PHE 132 N -2.33 -0.19 0.04 1.61 0.08 -1.13 -4.91 117.98 111.16 1k42 s PHE 132 Ca 0.08 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.03 1k42 s PHE 132 Cb -0.04 0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 43.03 1k42 s PHE 132 CO 0.02 -0.88 -0.10 -0.08 -0.10 0.00 0.00 175.22 174.08 1k42 s THR 133 N -3.42 0.75 -0.47 0.64 -1.32 -1.26 -1.96 115.64 108.60 1k42 s THR 133 Ca 0.11 -0.98 -0.42 0.00 -1.21 0.00 0.00 61.69 59.18 1k42 s THR 133 Cb -0.02 -0.74 -0.18 0.00 -1.51 0.00 0.00 72.50 70.05 1k42 s THR 133 CO 0.01 -0.20 2.13 0.52 -2.21 0.00 0.00 174.62 174.87 1k42 n VAL 134 N 1.73 0.04 0.03 5.08 0.31 -1.26 -4.78 118.33 119.48 1k42 n VAL 134 Ca -0.20 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1k42 n VAL 134 Cb 0.55 -0.71 -0.06 0.00 -0.91 0.00 0.00 33.84 32.71 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 9.50 -0.10 0.00 4.52 0.02 -1.96 -3.43 113.55 122.10 1k42 h SER 135 Ca -0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1k42 h SER 135 Cb 1.40 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1k42 h SER 135 CO 1.07 -0.05 0.00 0.47 -1.14 0.00 0.00 176.83 177.19 1k42 n ASP 136 N -5.14 0.00 -2.71 3.07 8.00 -1.26 -5.05 116.55 113.46 1k42 n ASP 136 Ca -0.06 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.37 1k42 n ASP 136 Cb 0.08 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.27 1k42 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k42 n GLN 137 N 0.00 0.91 -3.31 -1.24 6.02 -1.26 -4.91 117.38 113.59 1k42 n GLN 137 Ca 0.00 -1.66 -0.42 0.00 -0.01 0.00 0.00 57.00 54.91 1k42 n GLN 137 Cb 0.00 -0.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.62 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 0.20 3.39 0.22 -1.09 0.41 -1.26 -4.90 118.70 115.67 1k42 s GLU 138 Ca 0.20 -0.47 0.26 0.00 -0.41 0.00 0.00 54.97 54.56 1k42 s GLU 138 Cb 0.31 -3.88 0.81 0.00 -1.78 0.00 0.00 34.13 29.59 1k42 s GLU 138 CO -0.08 -0.71 1.77 0.25 -0.49 0.00 0.00 175.26 176.00 1k42 n THR 139 N 5.41 0.63 -4.25 3.63 -2.24 -1.26 -4.56 114.28 111.63 1k42 n THR 139 Ca -0.07 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1k42 n THR 139 Cb 0.48 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 1k42 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k42 s VAL 140 N -3.12 0.62 0.24 2.28 1.01 -1.26 -1.76 120.40 118.42 1k42 s VAL 140 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1k42 s VAL 140 Cb 0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1k42 s VAL 140 CO 0.59 0.22 0.27 0.27 0.00 0.00 0.00 175.10 176.44 1k42 s ILE 141 N 0.55 0.00 -0.02 2.22 -5.25 -1.12 -4.59 121.20 112.98 1k42 s ILE 141 Ca -0.08 -1.82 -0.01 0.00 -0.99 0.00 0.00 60.65 57.75 1k42 s ILE 141 Cb -0.11 -2.45 0.02 0.00 2.95 0.00 0.00 42.46 42.87 1k42 s ILE 141 CO 0.00 0.00 0.05 0.00 -1.79 0.00 0.00 174.94 173.20 1k42 s ARG 142 N -3.91 0.00 -0.43 0.37 1.70 -0.54 -1.14 118.95 115.01 1k42 s ARG 142 Ca 0.35 0.17 -0.20 0.00 -0.47 0.00 0.00 55.73 55.57 1k42 s ARG 142 Cb 0.04 -0.15 0.02 0.00 -0.57 0.00 0.00 34.95 34.29 1k42 s ARG 142 CO 0.14 -0.12 0.61 0.00 -1.08 0.00 0.00 175.30 174.86 1k42 s ALA 143 N 0.75 3.37 -0.41 7.88 0.00 -1.07 -2.40 121.76 129.88 1k42 s ALA 143 Ca -0.06 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1k42 s ALA 143 Cb -0.09 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1k42 s ALA 143 CO -0.02 -1.72 1.32 -1.25 0.00 0.00 0.00 175.76 174.09 1k42 s PRO 144 N 2.71 3.67 -0.12 0.00 0.04 -0.80 -2.34 135.00 138.16 1k42 s PRO 144 Ca 0.21 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 1k42 s PRO 144 Cb -0.15 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 1k42 s PRO 144 CO 0.18 -1.44 0.24 0.42 0.04 0.00 0.00 177.00 176.44 1k42 s ILE 145 N 4.99 5.33 0.22 0.56 -1.09 0.15 -2.86 121.20 128.51 1k42 s ILE 145 Ca 0.57 0.44 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 1k42 s ILE 145 Cb -0.12 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1k42 s ILE 145 CO 0.31 0.51 0.28 -1.00 -1.23 0.00 0.00 174.94 173.80 1k42 s HIS 146 N -0.35 3.33 0.16 3.97 3.76 -0.36 -1.11 115.29 124.68 1k42 s HIS 146 Ca 0.16 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.83 1k42 s HIS 146 Cb -0.13 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.09 1k42 s HIS 146 CO 0.05 0.48 0.57 -0.06 -0.85 0.00 0.00 174.74 174.94 1k42 s PHE 147 N -1.96 -0.48 0.00 1.40 0.08 0.20 -3.03 117.98 114.19 1k42 s PHE 147 Ca 0.33 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1k42 s PHE 147 Cb -0.09 0.52 0.00 0.00 -0.57 0.00 0.00 43.02 42.88 1k42 s PHE 147 CO 0.27 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 1k42 n GLY 148 N -0.36 0.73 3.36 4.36 0.00 -1.24 -1.41 105.19 110.63 1k42 n GLY 148 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.92 1.81 0.42 1.61 2.02 -1.26 -4.55 117.35 116.48 1k42 s TYR 149 Ca 0.00 -0.52 0.21 0.00 -0.37 0.00 0.00 57.07 56.39 1k42 s TYR 149 Cb 0.00 -0.84 1.20 0.00 -0.40 0.00 0.00 41.96 41.92 1k42 s TYR 149 CO 0.00 0.41 2.01 0.00 -1.57 0.00 0.00 175.55 176.40 1k42 h ALA 150 N 2.61 1.44 0.00 3.71 0.00 -1.97 -0.66 119.26 124.39 1k42 h ALA 150 Ca -0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1k42 h ALA 150 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k42 h ALA 150 CO 0.60 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1k42 h ALA 151 N 1.83 1.00 -0.45 0.00 0.00 -1.94 -2.03 119.26 117.67 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 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1k42 h ALA 151 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1k42 n ASN 152 N -3.00 3.23 -4.91 0.00 3.02 -0.31 -2.53 115.26 110.77 1k42 n ASN 152 Ca 0.01 -2.02 -0.28 0.00 -0.03 0.00 0.00 54.58 52.26 1k42 n ASN 152 Cb 0.30 -0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.03 3.80 -1.01 2.41 1.01 -0.76 -3.90 120.40 120.92 1k42 s VAL 153 Ca 0.30 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1k42 s VAL 153 Cb 0.16 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1k42 s VAL 153 CO 0.20 -0.58 0.14 0.61 0.00 0.00 0.00 175.10 175.48 1k42 n GLY 154 N -2.65 -0.50 3.58 4.51 0.00 -0.88 -4.89 105.19 104.36 1k42 n GLY 154 Ca 0.05 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1k42 n GLY 154 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k42 s ASN 155 N -2.22 -0.70 -0.14 1.61 3.84 -1.09 -4.98 114.94 111.25 1k42 s ASN 155 Ca 0.11 1.09 -0.17 0.00 0.21 0.00 0.00 52.86 54.10 1k42 s ASN 155 Cb -0.06 1.01 -0.04 0.00 -0.55 0.00 0.00 41.25 41.61 1k42 s ASN 155 CO 0.14 -0.42 0.45 -0.89 -2.79 0.00 0.00 177.10 173.59 1k42 s THR 156 N -0.38 5.19 -0.26 -5.21 2.01 -1.26 -2.64 115.64 113.10 1k42 s THR 156 Ca -0.05 0.88 -0.07 0.00 0.31 0.00 0.00 61.69 62.77 1k42 s THR 156 Cb -0.03 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1k42 s THR 156 CO 0.05 0.31 0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1k42 s ILE 157 N 0.80 4.06 -0.16 1.82 1.01 0.48 -1.25 121.20 127.97 1k42 s ILE 157 Ca 0.24 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1k42 s ILE 157 Cb -0.15 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1k42 s ILE 157 CO 0.09 0.29 0.08 -0.31 0.00 0.00 0.00 174.94 175.09 1k42 s TYR 158 N 1.56 3.32 0.02 3.97 1.51 -0.11 -1.32 117.35 126.30 1k42 s TYR 158 Ca 0.05 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1k42 s TYR 158 Cb -0.15 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1k42 s TYR 158 CO 0.02 0.32 -0.21 0.42 -1.11 0.00 0.00 175.55 175.00 1k42 s ILE 159 N -0.06 1.64 -0.29 2.71 1.01 -0.99 -1.54 121.20 123.67 1k42 s ILE 159 Ca 0.07 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 1k42 s ILE 159 Cb -0.12 -1.40 0.17 0.00 0.01 0.00 0.00 42.46 41.12 1k42 s ILE 159 CO 0.01 0.31 1.22 -0.62 0.00 0.00 0.00 174.94 175.86 1k42 s ASP 160 N -0.89 -0.24 0.00 3.58 2.15 -0.55 -1.74 116.67 118.99 1k42 s ASP 160 Ca 0.08 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1k42 s ASP 160 Cb -0.08 0.67 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1k42 s ASP 160 CO 0.01 -0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 1k42 n GLY 161 N 2.40 1.12 3.57 2.66 0.00 -1.26 -0.75 105.19 112.94 1k42 n GLY 161 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 2.68 -4.02 0.99 7.94 -1.20 -3.51 117.00 119.89 1k42 n LEU 162 Ca 0.00 -0.23 -0.14 0.00 -1.11 0.00 0.00 56.01 54.52 1k42 n LEU 162 Cb 0.00 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.25 1k42 n LEU 162 CO 0.00 -1.23 -0.40 0.00 -1.11 0.00 0.00 177.39 174.64 1k42 s ALA 163 N 10.73 0.50 -0.23 1.96 0.00 -0.48 -4.02 121.76 130.23 1k42 s ALA 163 Ca 0.99 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1k42 s ALA 163 Cb -0.24 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 22.92 1k42 s ALA 163 CO 0.30 0.03 -0.01 0.42 0.00 0.00 0.00 175.76 176.50 1k42 s ILE 164 N -0.83 1.19 0.01 0.00 1.01 -1.26 -2.46 121.20 118.86 1k42 s ILE 164 Ca -0.05 -1.06 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 1k42 s ILE 164 Cb -0.07 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.87 1k42 s ILE 164 CO 0.00 -0.19 0.44 0.00 0.00 0.00 0.00 174.94 175.19 1k42 s ALA 165 N 1.54 -1.10 0.29 9.38 0.00 -0.97 -1.29 121.76 129.62 1k42 s ALA 165 Ca -0.03 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.54 1k42 s ALA 165 Cb -0.18 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1k42 s ALA 165 CO -0.08 -0.38 0.10 -1.54 0.00 0.00 0.00 175.76 173.86 1k42 s SER 166 N -1.64 4.80 0.30 0.00 1.04 -1.26 -0.77 113.70 116.16 1k42 s SER 166 Ca -0.09 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1k42 s SER 166 Cb -0.02 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 1k42 s SER 166 CO 0.02 -0.13 0.49 -1.10 0.98 0.00 0.00 173.24 173.49 1k42 s GLN 167 N -3.78 3.49 0.00 4.02 -0.21 -1.26 -4.97 119.66 116.94 1k42 s GLN 167 Ca 0.34 -0.39 0.29 0.00 0.02 0.00 0.00 55.36 55.62 1k42 s GLN 167 Cb -0.05 -2.73 1.71 0.00 1.00 0.00 0.00 33.01 32.93 1k42 s GLN 167 CO 0.22 0.25 2.05 -0.35 -2.12 0.00 0.00 175.29 175.33