#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncn s LEU 1 N 0.00 4.26 -0.22 -0.89 1.98 -1.25 -4.91 118.68 117.64 1ncn s LEU 1 Ca 0.00 1.99 -0.05 0.00 -2.89 0.00 0.00 54.13 53.19 1ncn s LEU 1 Cb 0.00 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.30 1ncn s LEU 1 CO 0.00 -0.85 -0.02 -0.54 -1.89 0.00 0.00 176.35 173.05 1ncn s LYS 2 N 3.79 3.48 -0.05 1.98 1.02 -1.26 0.76 119.74 129.45 1ncn s LYS 2 Ca 0.65 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1ncn s LYS 2 Cb -0.28 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1ncn s LYS 2 CO 0.23 -0.14 -0.09 0.42 -0.92 0.00 0.00 175.35 174.84 1ncn s ILE 3 N 1.37 3.47 -0.08 2.17 -1.09 0.50 -4.92 121.20 122.63 1ncn s ILE 3 Ca 0.04 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1ncn s ILE 3 Cb -0.14 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1ncn s ILE 3 CO -0.01 0.57 -0.09 -1.10 -1.23 0.00 0.00 174.94 173.09 1ncn s GLN 4 N -0.85 1.43 0.25 2.79 -0.21 -1.26 0.10 119.66 121.91 1ncn s GLN 4 Ca 0.13 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1ncn s GLN 4 Cb -0.11 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 1ncn s GLN 4 CO 0.02 -0.12 0.19 0.00 -2.12 0.00 0.00 175.29 173.26 1ncn s ALA 5 N 1.16 1.44 0.20 6.09 0.00 -0.26 -4.96 121.76 125.43 1ncn s ALA 5 Ca -0.06 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.13 1ncn s ALA 5 Cb -0.14 1.42 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 1ncn s ALA 5 CO -0.02 -0.62 0.04 0.71 0.00 0.00 0.00 175.76 175.88 1ncn s TYR 6 N -3.88 2.90 0.28 0.00 1.51 -1.26 -1.36 117.35 115.53 1ncn s TYR 6 Ca 0.40 -0.13 -0.27 0.00 -1.01 0.00 0.00 57.07 56.05 1ncn s TYR 6 Cb 0.05 -1.37 -0.15 0.00 -0.11 0.00 0.00 41.96 40.39 1ncn s TYR 6 CO 0.18 0.54 0.84 0.34 -1.11 0.00 0.00 175.55 176.33 1ncn n PHE 7 N -0.43 0.64 -1.15 2.71 7.35 0.10 -1.16 117.46 125.52 1ncn n PHE 7 Ca -0.09 0.76 -0.05 0.00 -0.76 0.00 0.00 57.45 57.31 1ncn n PHE 7 Cb 0.56 -2.15 -0.02 0.00 0.35 0.00 0.00 39.48 38.22 1ncn n PHE 7 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ncn n ASN 8 N 1.40 -5.45 0.00 -2.13 4.05 0.48 -4.91 115.26 108.71 1ncn n ASN 8 Ca 0.12 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.27 1ncn n ASN 8 Cb 0.31 -3.40 0.00 0.00 1.23 0.00 0.00 39.78 37.93 1ncn n ASN 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1ncn n GLU 9 N -0.41 3.82 -4.31 1.20 -0.58 -0.31 -4.59 120.64 115.47 1ncn n GLU 9 Ca -0.05 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.52 1ncn n GLU 9 Cb 0.47 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.24 1ncn n GLU 9 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ncn s THR 10 N 2.34 1.37 -0.03 2.62 2.01 -1.26 -0.75 115.64 121.93 1ncn s THR 10 Ca 0.00 -2.11 -0.07 0.00 0.31 0.00 0.00 61.69 59.82 1ncn s THR 10 Cb 0.00 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.47 1ncn s THR 10 CO 0.00 -0.59 0.15 0.00 -0.69 0.00 0.00 174.62 173.50 1ncn s ALA 11 N -3.20 -0.37 -0.31 7.40 0.00 -0.67 -4.72 121.76 119.87 1ncn s ALA 11 Ca 0.22 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1ncn s ALA 11 Cb 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1ncn s ALA 11 CO 0.05 -0.15 0.08 -0.51 0.00 0.00 0.00 175.76 175.23 1ncn s ASP 12 N -0.65 5.15 -0.43 0.00 1.01 -1.26 -0.27 116.67 120.22 1ncn s ASP 12 Ca -0.07 -0.92 -0.23 0.00 0.71 0.00 0.00 52.55 52.03 1ncn s ASP 12 Cb -0.04 -1.86 0.02 0.00 1.01 0.00 0.00 42.92 42.05 1ncn s ASP 12 CO 0.01 -0.25 0.79 -0.76 0.21 0.00 0.00 175.17 175.17 1ncn s LEU 13 N 1.44 4.20 0.12 1.23 1.02 0.21 -4.92 118.68 121.99 1ncn s LEU 13 Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 54.13 53.87 1ncn s LEU 13 Cb -0.18 -2.99 -0.07 0.00 0.02 0.00 0.00 46.19 42.97 1ncn s LEU 13 CO 0.02 -0.88 1.19 -2.16 0.02 0.00 0.00 176.35 174.54 1ncn s PRO 14 N 3.28 4.48 0.18 1.29 0.04 -1.26 -1.12 135.00 141.88 1ncn s PRO 14 Ca 0.31 1.81 0.23 0.00 0.04 0.00 0.00 61.00 63.38 1ncn s PRO 14 Cb -0.12 -3.30 0.15 0.00 0.04 0.00 0.00 34.50 31.28 1ncn s PRO 14 CO 0.22 -0.15 1.18 0.00 0.04 0.00 0.00 177.00 178.29 1ncn n GLN 16 N -2.47 -3.89 -3.81 0.00 6.02 -1.26 -4.62 117.38 107.35 1ncn n GLN 16 Ca 0.02 0.48 -0.36 0.00 -0.01 0.00 0.00 57.00 57.12 1ncn n GLN 16 Cb 0.50 -4.82 -0.12 0.00 1.02 0.00 0.00 30.24 26.82 1ncn n GLN 16 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ncn s PHE 17 N -3.79 3.43 0.33 1.08 5.36 -1.26 -4.93 117.98 118.21 1ncn s PHE 17 Ca 0.10 -2.06 0.21 0.00 -0.96 0.00 0.00 56.93 54.22 1ncn s PHE 17 Cb -0.05 -2.72 1.07 0.00 -0.34 0.00 0.00 43.02 40.97 1ncn s PHE 17 CO 0.87 -0.88 1.93 0.00 -1.46 0.00 0.00 175.22 175.67 1ncn h ALA 18 N 8.07 1.25 -4.08 11.12 0.00 -1.99 -3.47 119.26 130.16 1ncn h ALA 18 Ca -0.17 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1ncn h ALA 18 Cb 1.06 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.90 1ncn h ALA 18 CO 0.63 0.29 -0.44 -1.71 0.00 0.00 0.00 179.25 178.03 1ncn n ASN 19 N -3.74 -3.44 0.28 0.00 5.15 -1.26 -4.88 115.26 107.37 1ncn n ASN 19 Ca -0.01 -0.35 0.14 0.00 -0.60 0.00 0.00 54.58 53.76 1ncn n ASN 19 Cb 0.34 -3.29 0.83 0.00 -0.53 0.00 0.00 39.78 37.13 1ncn n ASN 19 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ncn h SER 20 N -1.42 0.00 0.57 1.20 0.02 -2.01 0.16 113.55 112.07 1ncn h SER 20 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1ncn h SER 20 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ncn h SER 20 CO 0.32 0.07 0.00 1.56 -1.14 0.00 0.00 176.83 177.64 1ncn h GLN 21 N 0.00 0.00 -6.40 3.45 7.50 -1.99 -3.46 115.11 114.21 1ncn h GLN 21 Ca -0.00 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.67 1ncn h GLN 21 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.68 1ncn h GLN 21 CO 0.01 0.00 -0.85 -1.71 -1.50 0.00 0.00 178.83 174.78 1ncn n ASN 22 N -2.63 -1.33 -4.93 1.46 4.05 0.55 -4.98 115.26 107.45 1ncn n ASN 22 Ca 0.00 -0.94 -0.25 0.00 0.45 0.00 0.00 54.58 53.84 1ncn n ASN 22 Cb 0.19 -3.36 0.05 0.00 1.23 0.00 0.00 39.78 37.89 1ncn n ASN 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ncn s GLN 23 N -6.46 2.59 0.05 1.20 -1.52 -1.26 -5.09 119.66 109.17 1ncn s GLN 23 Ca 0.16 -0.23 0.05 0.00 -1.95 0.00 0.00 55.36 53.39 1ncn s GLN 23 Cb -0.08 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 1ncn s GLN 23 CO 0.87 -0.90 -0.10 -1.54 -0.25 0.00 0.00 175.29 173.37 1ncn s SER 24 N -4.40 4.42 0.48 5.90 1.04 -1.26 -5.01 113.70 114.86 1ncn s SER 24 Ca 0.57 -0.29 0.23 0.00 0.48 0.00 0.00 55.95 56.93 1ncn s SER 24 Cb -0.11 -0.91 1.26 0.00 0.10 0.00 0.00 66.02 66.37 1ncn s SER 24 CO 0.44 0.23 1.92 0.25 0.98 0.00 0.00 173.24 177.06 1ncn h LEU 25 N 4.11 0.19 -0.65 2.42 5.85 -1.96 0.24 115.31 125.50 1ncn h LEU 25 Ca -0.48 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ncn h LEU 25 Cb 1.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1ncn h LEU 25 CO 0.52 0.09 0.00 -1.54 -0.34 0.00 0.00 178.44 177.17 1ncn n SER 26 N -4.41 0.36 -0.52 1.25 3.41 -1.26 -1.62 113.62 110.83 1ncn n SER 26 Ca 0.15 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.46 1ncn n SER 26 Cb 0.70 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1ncn n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ncn n GLU 27 N -1.94 1.11 -4.40 4.33 1.02 0.07 -4.64 120.64 116.19 1ncn n GLU 27 Ca 0.01 -1.24 -0.24 0.00 -0.02 0.00 0.00 57.16 55.67 1ncn n GLU 27 Cb 0.10 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 1ncn n GLU 27 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ncn s LEU 28 N -1.28 2.85 -0.20 -4.62 1.43 -0.64 -1.56 118.68 114.64 1ncn s LEU 28 Ca 0.16 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1ncn s LEU 28 Cb 0.12 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 45.03 1ncn s LEU 28 CO 0.20 0.00 -0.10 -0.69 0.23 0.00 0.00 176.35 176.00 1ncn s VAL 29 N -2.44 1.65 -0.21 -1.59 1.01 -0.32 -1.06 120.40 117.43 1ncn s VAL 29 Ca 0.31 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1ncn s VAL 29 Cb -0.05 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1ncn s VAL 29 CO 0.17 0.13 0.05 -0.69 0.00 0.00 0.00 175.10 174.77 1ncn s VAL 30 N 1.39 4.45 0.20 2.92 1.01 -0.87 -1.12 120.40 128.38 1ncn s VAL 30 Ca -0.02 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1ncn s VAL 30 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ncn s VAL 30 CO -0.08 0.40 -0.23 -0.36 0.00 0.00 0.00 175.10 174.83 1ncn s PHE 31 N 0.97 2.26 -0.04 5.22 0.08 -0.01 -1.29 117.98 125.17 1ncn s PHE 31 Ca 0.03 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1ncn s PHE 31 Cb -0.14 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1ncn s PHE 31 CO 0.03 0.51 0.04 -1.58 -0.10 0.00 0.00 175.22 174.12 1ncn s TRP 32 N -1.80 0.21 0.07 0.36 0.52 -0.97 -0.83 118.94 116.50 1ncn s TRP 32 Ca 0.21 0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.51 1ncn s TRP 32 Cb -0.07 -0.52 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1ncn s TRP 32 CO 0.10 -0.20 -0.11 1.14 0.02 0.00 0.00 176.95 177.90 1ncn s GLN 33 N 1.94 0.74 0.32 4.98 -2.07 -0.95 0.18 119.66 124.80 1ncn s GLN 33 Ca 0.03 -0.97 -0.03 0.00 -1.82 0.00 0.00 55.36 52.56 1ncn s GLN 33 Cb -0.12 -0.55 0.07 0.00 -1.09 0.00 0.00 33.01 31.32 1ncn s GLN 33 CO -0.03 0.10 0.44 -0.40 -1.32 0.00 0.00 175.29 174.08 1ncn n ASP 34 N 1.06 0.24 0.22 12.60 3.85 -0.54 -1.59 116.55 132.39 1ncn n ASP 34 Ca -0.20 -1.29 0.17 0.00 -0.71 0.00 0.00 54.79 52.77 1ncn n ASP 34 Cb 0.56 -0.32 0.85 0.00 -1.35 0.00 0.00 41.12 40.85 1ncn n ASP 34 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1ncn h GLN 35 N 0.00 0.00 -0.76 0.11 4.20 -1.73 -0.50 115.11 116.43 1ncn h GLN 35 Ca -0.14 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.37 1ncn h GLN 35 Cb 0.45 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.11 1ncn h GLN 35 CO 0.12 0.00 0.25 0.39 -0.67 0.00 0.00 178.83 178.92 1ncn n GLU 36 N -3.75 3.72 -2.27 1.46 1.02 -1.26 -4.92 120.64 114.63 1ncn n GLU 36 Ca 0.01 -2.95 -0.17 0.00 -0.02 0.00 0.00 57.16 54.04 1ncn n GLU 36 Cb 0.31 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 29.52 1ncn n GLU 36 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ncn n ASN 37 N -0.07 -4.82 -4.82 1.62 3.02 -0.20 -4.97 115.26 105.04 1ncn n ASN 37 Ca 0.39 0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.70 1ncn n ASN 37 Cb 1.34 -4.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.36 1ncn n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ncn s LEU 38 N -5.57 4.49 0.09 3.41 1.43 -1.26 -4.81 118.68 116.46 1ncn s LEU 38 Ca 0.00 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 1ncn s LEU 38 Cb 0.00 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 1ncn s LEU 38 CO 0.00 0.25 1.03 -0.69 0.23 0.00 0.00 176.35 177.17 1ncn s VAL 39 N -1.17 4.39 -0.26 -1.59 1.01 -1.26 -1.46 120.40 120.06 1ncn s VAL 39 Ca 0.30 1.89 -0.16 0.00 0.00 0.00 0.00 61.98 64.01 1ncn s VAL 39 Cb -0.18 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1ncn s VAL 39 CO 0.18 0.24 -0.24 0.18 0.00 0.00 0.00 175.10 175.46 1ncn n LEU 40 N 3.13 1.94 -3.70 3.92 7.99 0.13 -2.10 117.00 128.30 1ncn n LEU 40 Ca 0.04 0.36 -0.13 0.00 -0.01 0.00 0.00 56.01 56.27 1ncn n LEU 40 Cb 0.49 -0.85 -0.07 0.00 -0.11 0.00 0.00 43.42 42.88 1ncn n LEU 40 CO 0.52 0.48 0.10 0.21 -1.51 0.00 0.00 177.39 177.20 1ncn s ASN 41 N -7.30 -0.24 -0.06 -1.43 2.47 -1.23 -4.82 114.94 102.32 1ncn s ASN 41 Ca -0.36 0.03 -0.03 0.00 0.42 0.00 0.00 52.86 52.92 1ncn s ASN 41 Cb 0.13 0.38 0.04 0.00 -1.45 0.00 0.00 41.25 40.35 1ncn s ASN 41 CO 0.51 -0.58 0.13 -0.70 -3.72 0.00 0.00 177.10 172.73 1ncn s GLU 42 N -2.06 0.06 -0.46 0.43 2.12 -1.26 -2.28 118.70 115.26 1ncn s GLU 42 Ca -0.08 0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1ncn s GLU 42 Cb -0.02 -0.22 0.12 0.00 0.26 0.00 0.00 34.13 34.27 1ncn s GLU 42 CO 0.00 -0.20 0.19 0.08 -0.54 0.00 0.00 175.26 174.79 1ncn s VAL 43 N 1.41 2.51 -0.38 3.70 1.01 -0.41 -0.64 120.40 127.60 1ncn s VAL 43 Ca -0.06 -2.96 -0.29 0.00 0.00 0.00 0.00 61.98 58.67 1ncn s VAL 43 Cb -0.12 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1ncn s VAL 43 CO -0.05 -0.73 1.14 -0.47 0.00 0.00 0.00 175.10 174.99 1ncn s TYR 44 N 0.15 2.94 -1.78 5.22 5.04 0.26 -2.05 117.35 127.13 1ncn s TYR 44 Ca 0.15 0.96 -0.19 0.00 -2.44 0.00 0.00 57.07 55.55 1ncn s TYR 44 Cb -0.23 -4.01 0.18 0.00 0.35 0.00 0.00 41.96 38.25 1ncn s TYR 44 CO -0.03 -1.13 0.58 1.28 -1.34 0.00 0.00 175.55 174.91 1ncn n LEU 45 N 7.40 -1.14 0.00 6.97 4.77 -0.22 -0.76 117.00 134.02 1ncn n LEU 45 Ca 0.13 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1ncn n LEU 45 Cb 0.48 -1.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1ncn n LEU 45 CO 0.65 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1ncn n GLY 46 N -1.36 1.23 3.41 -0.72 0.00 -1.15 -4.40 105.19 102.21 1ncn n GLY 46 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1ncn n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ncn s LYS 47 N -0.89 2.93 0.24 1.61 2.20 0.06 -5.01 119.74 120.89 1ncn s LYS 47 Ca 0.00 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 1ncn s LYS 47 Cb 0.00 -2.49 -0.09 0.00 -1.51 0.00 0.00 37.83 33.74 1ncn s LYS 47 CO 0.00 0.41 1.27 -1.21 -0.36 0.00 0.00 175.35 175.46 1ncn s GLU 48 N -0.18 4.43 -0.26 4.03 2.02 -1.26 -0.58 118.70 126.90 1ncn s GLU 48 Ca -0.00 2.05 0.03 0.00 0.02 0.00 0.00 54.97 57.06 1ncn s GLU 48 Cb -0.13 -3.16 0.06 0.00 0.10 0.00 0.00 34.13 31.00 1ncn s GLU 48 CO 0.03 -0.15 -0.09 0.21 0.02 0.00 0.00 175.26 175.28 1ncn s LYS 49 N -0.77 2.06 0.00 1.61 2.20 0.18 -4.89 119.74 120.13 1ncn s LYS 49 Ca 0.52 -1.31 0.22 0.00 -0.36 0.00 0.00 55.97 55.05 1ncn s LYS 49 Cb -0.36 -2.84 0.54 0.00 -1.51 0.00 0.00 37.83 33.66 1ncn s LYS 49 CO 0.42 -0.60 1.45 1.19 -0.36 0.00 0.00 175.35 177.46 1ncn n PHE 50 N 4.47 0.35 1.49 4.03 3.01 -1.26 -4.17 117.46 125.37 1ncn n PHE 50 Ca -0.12 -0.17 0.03 0.00 1.01 0.00 0.00 57.45 58.20 1ncn n PHE 50 Cb 0.42 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.01 1ncn n PHE 50 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ncn n ASP 51 N 1.00 0.88 0.00 4.37 5.68 -1.26 -3.13 116.55 124.10 1ncn n ASP 51 Ca 0.18 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1ncn n ASP 51 Cb 0.49 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1ncn n ASP 51 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ncn n SER 52 N -0.04 3.38 -4.74 -1.12 2.88 -1.26 -5.03 113.62 107.69 1ncn n SER 52 Ca 0.07 -0.14 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 1ncn n SER 52 Cb 0.15 0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 64.54 1ncn n SER 52 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ncn s VAL 53 N -1.64 2.81 0.37 2.46 1.01 -1.18 -4.38 120.40 119.84 1ncn s VAL 53 Ca 0.00 0.65 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 1ncn s VAL 53 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1ncn s VAL 53 CO 0.00 0.09 1.09 -2.28 0.00 0.00 0.00 175.10 174.00 1ncn s HIS 54 N 0.29 3.31 0.46 5.22 2.46 -0.89 -4.87 115.29 121.27 1ncn s HIS 54 Ca 0.61 1.64 0.21 0.00 0.47 0.00 0.00 55.06 57.99 1ncn s HIS 54 Cb -0.41 -3.22 1.20 0.00 -0.13 0.00 0.00 32.58 30.02 1ncn s HIS 54 CO 0.39 -0.75 1.88 0.66 -2.47 0.00 0.00 174.74 174.46 1ncn h SER 55 N 2.88 0.27 -0.13 9.88 4.64 -1.94 0.11 113.55 129.27 1ncn h SER 55 Ca -0.48 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1ncn h SER 55 Cb 1.22 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1ncn h SER 55 CO 0.64 0.11 0.36 0.50 -0.87 0.00 0.00 176.83 177.57 1ncn h LYS 56 N 0.28 0.00 0.00 4.77 3.64 -1.95 -1.88 116.57 121.43 1ncn h LYS 56 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1ncn h LYS 56 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ncn h LYS 56 CO -0.12 0.00 -0.18 0.66 -2.27 0.00 0.00 179.45 177.54 1ncn n TYR 57 N -3.17 0.00 -1.69 1.91 4.02 0.33 -4.97 117.16 113.59 1ncn n TYR 57 Ca 0.01 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.36 1ncn n TYR 57 Cb 0.45 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 1ncn n TYR 57 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1ncn n MET 58 N -1.09 1.52 -0.00 -0.72 2.81 -0.71 -1.02 117.12 117.91 1ncn n MET 58 Ca 0.00 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 1ncn n MET 58 Cb 0.04 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.26 1ncn n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ncn n GLY 59 N 4.04 1.73 0.82 3.03 0.00 -1.26 -4.91 105.19 108.64 1ncn n GLY 59 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1ncn n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ncn n ARG 60 N -2.00 1.85 -4.45 1.61 1.74 -0.19 -4.96 116.66 110.27 1ncn n ARG 60 Ca 0.00 -1.79 -0.24 0.00 -0.77 0.00 0.00 57.85 55.05 1ncn n ARG 60 Cb 0.00 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 1ncn n ARG 60 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ncn s THR 61 N -1.48 2.61 -0.30 0.55 -4.23 -1.25 0.64 115.64 112.18 1ncn s THR 61 Ca 0.25 -2.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1ncn s THR 61 Cb 0.17 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.71 1ncn s THR 61 CO 0.24 -0.37 0.73 -0.55 -0.54 0.00 0.00 174.62 174.13 1ncn s SER 62 N -3.55 -1.02 -0.15 3.99 0.15 -0.95 -4.96 113.70 107.22 1ncn s SER 62 Ca 0.31 1.39 -0.12 0.00 0.70 0.00 0.00 55.95 58.22 1ncn s SER 62 Cb -0.04 2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 66.37 1ncn s SER 62 CO 0.16 -0.19 0.25 0.12 1.20 0.00 0.00 173.24 174.78 1ncn s PHE 63 N 2.80 3.49 -0.35 3.44 5.36 -1.26 -0.52 117.98 130.94 1ncn s PHE 63 Ca -0.05 0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1ncn s PHE 63 Cb -0.11 -2.25 0.07 0.00 -0.34 0.00 0.00 43.02 40.39 1ncn s PHE 63 CO -0.19 0.35 0.10 0.34 -1.46 0.00 0.00 175.22 174.36 1ncn s ASP 64 N 0.11 5.12 0.47 6.13 2.15 0.18 -4.97 116.67 125.84 1ncn s ASP 64 Ca 0.15 -1.55 0.16 0.00 0.43 0.00 0.00 52.55 51.74 1ncn s ASP 64 Cb -0.13 -1.79 1.09 0.00 -0.30 0.00 0.00 42.92 41.79 1ncn s ASP 64 CO 0.04 -0.39 2.02 0.77 -0.17 0.00 0.00 175.17 177.44 1ncn h SER 65 N 8.06 0.00 -0.53 -0.34 4.64 -1.96 0.70 113.55 124.11 1ncn h SER 65 Ca -0.18 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1ncn h SER 65 Cb 1.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1ncn h SER 65 CO 0.61 0.15 0.27 0.44 -0.87 0.00 0.00 176.83 177.44 1ncn h ASP 66 N 0.00 0.40 -0.00 4.97 5.19 -1.96 -3.10 116.42 121.91 1ncn h ASP 66 Ca -0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ncn h ASP 66 Cb 0.28 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ncn h ASP 66 CO 0.02 0.27 -0.66 -1.54 -3.12 0.00 0.00 179.24 174.21 1ncn n SER 67 N -4.87 1.01 -3.45 6.45 3.41 -1.01 -4.99 113.62 110.17 1ncn n SER 67 Ca 0.05 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.44 1ncn n SER 67 Cb 0.14 0.86 0.06 0.00 -0.26 0.00 0.00 64.21 65.01 1ncn n SER 67 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ncn n TRP 68 N -1.05 -2.21 -3.85 7.33 7.02 0.24 -4.74 117.44 120.17 1ncn n TRP 68 Ca 0.04 0.69 -0.13 0.00 -1.02 0.00 0.00 57.50 57.09 1ncn n TRP 68 Cb 0.28 -3.88 -0.15 0.00 -2.42 0.00 0.00 31.31 25.15 1ncn n TRP 68 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1ncn s THR 69 N -3.43 -0.00 -0.15 -0.99 2.01 -0.96 -1.60 115.64 110.52 1ncn s THR 69 Ca 0.44 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.42 1ncn s THR 69 Cb -0.10 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1ncn s THR 69 CO 0.79 0.03 0.09 -0.22 -0.69 0.00 0.00 174.62 174.61 1ncn s LEU 70 N 0.27 4.01 -0.24 4.42 2.96 -0.28 -0.65 118.68 129.17 1ncn s LEU 70 Ca -0.02 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1ncn s LEU 70 Cb -0.03 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1ncn s LEU 70 CO -0.01 0.29 0.08 -0.60 -1.32 0.00 0.00 176.35 174.79 1ncn s ARG 71 N -0.30 3.72 -0.31 1.98 3.52 0.32 0.66 118.95 128.54 1ncn s ARG 71 Ca 0.09 -0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.12 1ncn s ARG 71 Cb -0.12 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1ncn s ARG 71 CO 0.01 -0.12 0.25 -1.17 -0.81 0.00 0.00 175.30 173.46 1ncn s LEU 72 N 1.45 4.29 0.43 -0.88 2.96 0.63 -2.23 118.68 125.33 1ncn s LEU 72 Ca 0.06 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1ncn s LEU 72 Cb -0.15 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 1ncn s LEU 72 CO 0.04 -0.18 0.63 -1.00 -1.32 0.00 0.00 176.35 174.52 1ncn s HIS 73 N 1.81 3.20 -1.15 5.38 3.76 0.21 -1.68 115.29 126.82 1ncn s HIS 73 Ca 0.08 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 1ncn s HIS 73 Cb -0.17 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 1ncn s HIS 73 CO 0.11 -0.29 0.78 -1.71 -0.85 0.00 0.00 174.74 172.78 1ncn n ASN 74 N -1.99 -5.04 -4.71 1.40 4.05 -0.98 -4.86 115.26 103.14 1ncn n ASN 74 Ca 0.01 -1.02 -0.41 0.00 0.45 0.00 0.00 54.58 53.62 1ncn n ASN 74 Cb 0.58 -3.36 0.02 0.00 1.23 0.00 0.00 39.78 38.25 1ncn n ASN 74 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ncn n LEU 75 N -4.21 4.20 -4.43 1.20 4.77 0.07 -4.74 117.00 113.87 1ncn n LEU 75 Ca -0.10 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.67 1ncn n LEU 75 Cb 0.60 -1.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 1ncn n LEU 75 CO 0.68 -0.65 -0.54 -1.10 -1.33 0.00 0.00 177.39 174.45 1ncn s GLN 76 N -2.29 1.57 0.58 3.23 -1.52 -1.26 -0.39 119.66 119.58 1ncn s GLN 76 Ca 0.62 -1.27 0.27 0.00 -1.95 0.00 0.00 55.36 53.03 1ncn s GLN 76 Cb -0.49 -1.99 1.68 0.00 -0.22 0.00 0.00 33.01 31.98 1ncn s GLN 76 CO 0.57 0.46 2.19 0.82 -0.25 0.00 0.00 175.29 179.09 1ncn h ILE 77 N 3.76 0.60 0.00 1.08 1.08 -1.94 0.21 117.51 122.30 1ncn h ILE 77 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1ncn h ILE 77 Cb 1.17 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1ncn h ILE 77 CO 0.42 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 178.17 1ncn n LYS 78 N -3.97 0.19 0.04 2.37 5.02 -1.26 -3.06 118.16 117.49 1ncn n LYS 78 Ca -0.01 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 1ncn n LYS 78 Cb 0.16 -1.80 0.47 0.00 -0.02 0.00 0.00 35.03 33.84 1ncn n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ncn n ASP 79 N -2.16 0.24 -4.67 4.39 8.00 0.75 -4.84 116.55 118.26 1ncn n ASP 79 Ca 0.04 0.54 -0.37 0.00 0.71 0.00 0.00 54.79 55.70 1ncn n ASP 79 Cb 0.30 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1ncn n ASP 79 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ncn n LYS 80 N -1.74 0.97 -0.70 -1.24 2.85 -1.17 -4.87 118.16 112.25 1ncn n LYS 80 Ca 0.05 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1ncn n LYS 80 Cb 0.29 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.30 1ncn n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ncn n GLY 81 N 1.09 0.63 3.72 2.58 0.00 -0.34 -4.99 105.19 107.88 1ncn n GLY 81 Ca 0.15 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1ncn n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ncn s LEU 82 N 0.00 3.99 0.23 0.99 2.96 -1.26 -0.47 118.68 125.12 1ncn s LEU 82 Ca 0.00 0.21 0.11 0.00 -0.22 0.00 0.00 54.13 54.23 1ncn s LEU 82 Cb 0.00 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1ncn s LEU 82 CO 0.00 0.26 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.78 1ncn s TYR 83 N -0.17 2.19 -0.01 5.38 1.51 0.51 -1.85 117.35 124.90 1ncn s TYR 83 Ca 0.08 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1ncn s TYR 83 Cb -0.12 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1ncn s TYR 83 CO 0.01 0.57 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.86 1ncn s GLN 84 N -3.18 0.35 -0.18 -0.62 0.74 -0.62 -0.39 119.66 115.75 1ncn s GLN 84 Ca 0.25 -0.08 -0.09 0.00 0.05 0.00 0.00 55.36 55.50 1ncn s GLN 84 Cb -0.06 -0.39 -0.05 0.00 1.10 0.00 0.00 33.01 33.62 1ncn s GLN 84 CO 0.12 0.01 0.10 0.00 -0.55 0.00 0.00 175.29 174.97 1ncn s ILE 86 N 0.24 0.99 -0.19 0.00 1.01 -0.01 -2.08 121.20 121.17 1ncn s ILE 86 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1ncn s ILE 86 Cb -0.12 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1ncn s ILE 86 CO -0.01 0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 174.38 1ncn s ILE 87 N 1.70 2.70 0.03 2.92 1.01 -0.96 -0.83 121.20 127.78 1ncn s ILE 87 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1ncn s ILE 87 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ncn s ILE 87 CO -0.08 0.49 0.04 -1.00 0.00 0.00 0.00 174.94 174.40 1ncn s HIS 88 N 1.19 3.15 -0.35 3.97 3.76 -0.28 -0.42 115.29 126.32 1ncn s HIS 88 Ca 0.02 0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 1ncn s HIS 88 Cb -0.14 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 1ncn s HIS 88 CO -0.06 0.50 0.23 -1.58 -0.85 0.00 0.00 174.74 172.99 1ncn s HIS 89 N -1.22 3.22 -0.31 1.40 2.46 0.11 -1.18 115.29 119.76 1ncn s HIS 89 Ca 0.24 -0.44 -0.27 0.00 0.47 0.00 0.00 55.06 55.06 1ncn s HIS 89 Cb -0.12 -2.47 0.01 0.00 -0.13 0.00 0.00 32.58 29.88 1ncn s HIS 89 CO 0.15 -0.45 0.97 0.21 -2.47 0.00 0.00 174.74 173.15 1ncn s LYS 90 N 1.67 4.03 0.44 2.88 2.20 -0.60 -1.50 119.74 128.85 1ncn s LYS 90 Ca 0.05 0.90 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 1ncn s LYS 90 Cb -0.18 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1ncn s LYS 90 CO 0.09 -0.82 0.63 0.15 -0.36 0.00 0.00 175.35 175.05 1ncn s LYS 91 N 3.38 2.99 0.39 4.03 1.02 0.53 -4.92 119.74 127.16 1ncn s LYS 91 Ca 0.41 -0.68 0.13 0.00 0.02 0.00 0.00 55.97 55.84 1ncn s LYS 91 Cb -0.13 -2.62 0.96 0.00 -0.52 0.00 0.00 37.83 35.52 1ncn s LYS 91 CO 0.14 -0.25 1.86 -1.00 -0.92 0.00 0.00 175.35 175.18 1ncn h PRO 92 N 0.48 0.52 0.00 -1.68 0.13 -2.01 -3.07 132.00 126.37 1ncn h PRO 92 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ncn h PRO 92 Cb 1.26 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ncn h PRO 92 CO 0.55 0.35 0.00 2.41 -0.23 0.00 0.00 178.00 181.08 1ncn n THR 93 N -4.55 0.00 0.00 1.56 -1.04 -1.26 -5.02 114.28 103.97 1ncn n THR 93 Ca 0.18 0.61 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 1ncn n THR 93 Cb 0.58 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1ncn n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ncn n GLY 94 N -0.11 3.61 3.22 3.41 0.00 -1.16 -5.18 105.19 108.98 1ncn n GLY 94 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1ncn n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ncn s MET 95 N 2.60 0.96 -0.04 1.61 -1.94 -1.26 -0.35 119.30 120.88 1ncn s MET 95 Ca 0.00 -1.27 0.01 0.00 -1.71 0.00 0.00 55.69 52.71 1ncn s MET 95 Cb 0.00 -0.66 0.02 0.00 2.01 0.00 0.00 34.83 36.21 1ncn s MET 95 CO 0.00 0.10 -0.02 0.42 -0.01 0.00 0.00 175.02 175.51 1ncn s ILE 96 N -2.65 0.36 -0.11 2.53 1.01 -0.56 -4.90 121.20 116.88 1ncn s ILE 96 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1ncn s ILE 96 Cb -0.02 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1ncn s ILE 96 CO 0.01 0.19 1.16 -0.60 0.00 0.00 0.00 174.94 175.70 1ncn s ARG 97 N 1.05 4.33 0.00 2.79 3.52 -1.26 0.05 118.95 129.43 1ncn s ARG 97 Ca -0.09 1.58 0.03 0.00 -0.13 0.00 0.00 55.73 57.11 1ncn s ARG 97 Cb -0.14 -3.61 0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1ncn s ARG 97 CO -0.01 -0.50 0.63 0.44 -0.81 0.00 0.00 175.30 175.05 1ncn n ILE 98 N 4.85 0.10 -3.51 4.11 -5.35 0.44 -4.93 119.36 115.07 1ncn n ILE 98 Ca 0.11 -0.55 -0.14 0.00 -0.27 0.00 0.00 62.75 61.91 1ncn n ILE 98 Cb 0.46 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.32 1ncn n ILE 98 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1ncn s HIS 99 N -0.30 -0.52 -0.17 4.28 5.04 -1.05 -4.97 115.29 117.59 1ncn s HIS 99 Ca 0.03 0.71 -0.27 0.00 -1.54 0.00 0.00 55.06 53.99 1ncn s HIS 99 Cb 0.02 0.47 0.07 0.00 0.04 0.00 0.00 32.58 33.18 1ncn s HIS 99 CO 0.03 -0.59 0.69 -0.65 -2.34 0.00 0.00 174.74 171.88 1ncn s GLN 100 N -2.02 0.92 -0.17 2.88 -0.21 -1.26 -2.26 119.66 117.55 1ncn s GLN 100 Ca -0.04 0.66 -0.28 0.00 0.02 0.00 0.00 55.36 55.72 1ncn s GLN 100 Cb -0.00 0.44 0.08 0.00 1.00 0.00 0.00 33.01 34.53 1ncn s GLN 100 CO 0.00 -0.20 0.76 1.41 -2.12 0.00 0.00 175.29 175.15 1ncn s MET 101 N -0.30 0.88 0.11 2.91 1.75 -0.88 -4.96 119.30 118.81 1ncn s MET 101 Ca -0.05 0.56 0.08 0.00 -1.25 0.00 0.00 55.69 55.04 1ncn s MET 101 Cb -0.03 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.02 1ncn s MET 101 CO 0.05 -0.20 -0.15 -0.80 -0.65 0.00 0.00 175.02 173.26 1ncn s ASN 102 N -0.45 4.07 -0.00 1.11 0.01 -1.26 -0.41 114.94 118.01 1ncn s ASN 102 Ca -0.05 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 1ncn s ASN 102 Cb -0.02 -0.65 -0.01 0.00 0.41 0.00 0.00 41.25 40.98 1ncn s ASN 102 CO 0.04 0.18 -0.08 -0.44 -1.51 0.00 0.00 177.10 175.29 1ncn s SER 103 N -2.17 0.94 -0.33 -1.22 0.01 0.48 -3.92 113.70 107.48 1ncn s SER 103 Ca 0.19 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.20 1ncn s SER 103 Cb -0.11 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1ncn s SER 103 CO 0.11 0.08 0.13 -0.70 0.41 0.00 0.00 173.24 173.28 1ncn s GLU 104 N -0.28 2.92 -0.25 12.44 2.12 0.23 -0.36 118.70 135.53 1ncn s GLU 104 Ca 0.02 -0.99 -0.10 0.00 0.36 0.00 0.00 54.97 54.26 1ncn s GLU 104 Cb -0.03 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1ncn s GLU 104 CO -0.00 -0.57 0.16 -1.17 -0.54 0.00 0.00 175.26 173.14 1ncn s LEU 105 N 1.51 4.08 -0.18 2.70 2.96 0.38 0.19 118.68 130.32 1ncn s LEU 105 Ca 0.02 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1ncn s LEU 105 Cb -0.18 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1ncn s LEU 105 CO 0.04 0.04 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.65 1ncn s SER 106 N 1.18 4.74 -0.27 3.68 0.01 0.29 -1.19 113.70 122.14 1ncn s SER 106 Ca 0.07 -0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 1ncn s SER 106 Cb -0.14 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.32 1ncn s SER 106 CO 0.06 0.10 0.00 -0.69 0.41 0.00 0.00 173.24 173.12 1ncn s VAL 107 N 0.75 3.37 0.08 3.43 1.01 -1.26 -1.10 120.40 126.68 1ncn s VAL 107 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1ncn s VAL 107 Cb -0.14 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1ncn s VAL 107 CO 0.02 0.15 0.31 -0.76 0.00 0.00 0.00 175.10 174.83 1ncn s LEU 108 N 1.41 4.33 0.00 3.92 1.43 -0.47 -4.83 118.68 124.47 1ncn s LEU 108 Ca 0.01 0.55 0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1ncn s LEU 108 Cb -0.17 -3.00 1.29 0.00 0.03 0.00 0.00 46.19 44.34 1ncn s LEU 108 CO -0.01 0.15 1.88 0.00 0.23 0.00 0.00 176.35 178.60