#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is3 s ARG 3 N 0.00 2.91 -0.16 0.11 1.70 -1.26 -5.03 118.95 117.22 1is3 s ARG 3 Ca 0.00 0.07 -0.19 0.00 -0.47 0.00 0.00 55.73 55.14 1is3 s ARG 3 Cb 0.00 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 32.11 1is3 s ARG 3 CO 0.00 -0.75 0.52 0.00 -1.08 0.00 0.00 175.30 173.99 1is3 s ALA 4 N -3.05 3.51 0.04 7.88 0.00 -1.23 -4.98 121.76 123.93 1is3 s ALA 4 Ca 0.55 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1is3 s ALA 4 Cb -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1is3 s ALA 4 CO 0.46 -0.27 0.17 -1.83 0.00 0.00 0.00 175.76 174.30 1is3 s GLU 5 N 1.23 0.66 -0.17 0.00 -1.05 -1.26 -1.45 118.70 116.66 1is3 s GLU 5 Ca 0.26 -0.65 0.01 0.00 -0.15 0.00 0.00 54.97 54.43 1is3 s GLU 5 Cb -0.15 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1is3 s GLU 5 CO 0.10 -0.18 -0.16 0.08 0.95 0.00 0.00 175.26 176.05 1is3 s VAL 6 N -2.53 1.78 -0.04 1.83 1.01 -0.22 -5.01 120.40 117.23 1is3 s VAL 6 Ca -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1is3 s VAL 6 Cb -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1is3 s VAL 6 CO -0.04 0.45 -0.12 -0.60 0.00 0.00 0.00 175.10 174.79 1is3 s ARG 7 N 1.39 1.37 -1.47 2.72 3.52 -1.26 -1.64 118.95 123.58 1is3 s ARG 7 Ca 0.04 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1is3 s ARG 7 Cb -0.13 -1.21 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1is3 s ARG 7 CO -0.11 0.13 0.00 0.09 -0.81 0.00 0.00 175.30 174.60 1is3 n ASN 8 N 3.38 -5.01 -4.06 -2.12 5.03 -0.06 -4.97 115.26 107.46 1is3 n ASN 8 Ca -0.19 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 54.92 1is3 n ASN 8 Cb 0.53 -4.10 -0.13 0.00 -1.02 0.00 0.00 39.78 35.06 1is3 n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1is3 s ILE 9 N -2.84 2.79 0.03 2.41 1.01 -1.26 -5.07 121.20 118.27 1is3 s ILE 9 Ca 0.00 -2.30 -0.34 0.00 0.00 0.00 0.00 60.65 58.00 1is3 s ILE 9 Cb 0.00 -2.97 -0.13 0.00 0.01 0.00 0.00 42.46 39.37 1is3 s ILE 9 CO 0.00 -0.66 1.72 -2.65 0.00 0.00 0.00 174.94 173.35 1is3 n PRO 10 N 4.30 2.12 -3.10 2.79 -0.02 -1.26 -4.85 135.00 134.98 1is3 n PRO 10 Ca 0.02 0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 61.82 1is3 n PRO 10 Cb 0.41 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 1is3 n PRO 10 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1is3 s PHE 11 N 2.47 2.98 0.25 6.00 5.36 -0.06 -4.91 117.98 130.07 1is3 s PHE 11 Ca 0.86 -0.72 0.07 0.00 -0.96 0.00 0.00 56.93 56.17 1is3 s PHE 11 Cb -0.70 -3.85 -0.03 0.00 -0.34 0.00 0.00 43.02 38.10 1is3 s PHE 11 CO 0.45 -1.22 0.23 0.15 -1.46 0.00 0.00 175.22 173.37 1is3 s LYS 12 N 2.83 3.02 -0.40 10.12 1.02 -1.26 -1.01 119.74 134.07 1is3 s LYS 12 Ca 0.14 -1.00 -0.44 0.00 0.02 0.00 0.00 55.97 54.70 1is3 s LYS 12 Cb -0.21 -2.62 -0.18 0.00 -0.52 0.00 0.00 37.83 34.30 1is3 s LYS 12 CO 0.09 0.40 1.68 -0.11 -0.92 0.00 0.00 175.35 176.50 1is3 n LEU 13 N -1.22 1.78 0.00 3.17 7.94 -0.56 -1.19 117.00 126.92 1is3 n LEU 13 Ca -0.08 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1is3 n LEU 13 Cb 0.58 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1is3 n LEU 13 CO 0.43 -0.64 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 1is3 n GLY 14 N 4.17 0.47 3.90 -3.96 0.00 -1.24 -5.06 105.19 103.47 1is3 n GLY 14 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 1is3 n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1is3 s MET 15 N -0.85 3.07 -0.03 1.61 -1.94 -0.34 -5.04 119.30 115.78 1is3 s MET 15 Ca 0.00 0.21 0.07 0.00 -1.71 0.00 0.00 55.69 54.26 1is3 s MET 15 Cb 0.00 -2.21 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 1is3 s MET 15 CO 0.00 -0.69 -0.24 0.71 -0.01 0.00 0.00 175.02 174.79 1is3 s TYR 16 N -3.05 2.19 -0.21 -0.03 1.51 -1.26 -4.54 117.35 111.96 1is3 s TYR 16 Ca 0.54 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 56.10 1is3 s TYR 16 Cb -0.11 -1.42 -0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1is3 s TYR 16 CO 0.47 -0.08 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.59 1is3 s LEU 17 N -0.46 2.73 -0.13 -1.29 2.96 -0.48 -1.98 118.68 120.03 1is3 s LEU 17 Ca 0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1is3 s LEU 17 Cb -0.10 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1is3 s LEU 17 CO 0.00 -0.01 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.92 1is3 s THR 18 N 1.38 1.99 0.05 3.68 2.01 0.38 -0.63 115.64 124.50 1is3 s THR 18 Ca 0.05 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.19 1is3 s THR 18 Cb -0.14 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1is3 s THR 18 CO -0.05 0.54 -0.25 0.68 -0.69 0.00 0.00 174.62 174.85 1is3 s VAL 19 N 0.79 2.02 0.11 3.82 -7.23 -0.26 -0.67 120.40 118.97 1is3 s VAL 19 Ca -0.08 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1is3 s VAL 19 Cb -0.16 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1is3 s VAL 19 CO -0.01 0.29 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.07 1is3 s GLY 20 N -1.31 1.13 0.00 2.32 0.00 -0.84 -1.39 107.32 107.23 1is3 s GLY 20 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1is3 s GLY 20 CO 0.02 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1is3 n GLY 21 N 0.94 1.36 2.87 0.20 0.00 -0.69 -0.33 105.19 109.53 1is3 n GLY 21 Ca -0.18 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 1is3 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1is3 s VAL 22 N -2.50 0.34 0.13 1.61 1.01 -0.44 -0.94 120.40 119.61 1is3 s VAL 22 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1is3 s VAL 22 Cb 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1is3 s VAL 22 CO 0.00 0.16 0.91 -0.69 0.00 0.00 0.00 175.10 175.49 1is3 s VAL 23 N 0.76 4.45 0.66 2.92 1.01 -0.22 -1.54 120.40 128.44 1is3 s VAL 23 Ca -0.09 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.70 1is3 s VAL 23 Cb -0.12 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 1is3 s VAL 23 CO -0.01 0.37 1.21 0.20 0.00 0.00 0.00 175.10 176.88 1is3 s ASN 24 N -0.31 4.73 0.57 3.32 0.02 -0.58 -0.75 114.94 121.95 1is3 s ASN 24 Ca 0.44 2.38 0.30 0.00 -1.02 0.00 0.00 52.86 54.96 1is3 s ASN 24 Cb -0.23 -2.59 1.44 0.00 0.02 0.00 0.00 41.25 39.88 1is3 s ASN 24 CO 0.29 -1.90 1.83 0.28 0.02 0.00 0.00 177.10 177.61 1is3 h SER 25 N 0.33 0.00 -0.42 -1.22 0.02 -1.89 -2.90 113.55 107.46 1is3 h SER 25 Ca -0.49 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.22 1is3 h SER 25 Cb 1.30 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.44 1is3 h SER 25 CO 0.53 0.00 -1.11 0.59 -1.14 0.00 0.00 176.83 175.69 1is3 n ASN 26 N -3.85 1.58 -4.78 3.07 3.02 -1.26 -4.63 115.26 108.42 1is3 n ASN 26 Ca 0.14 -2.04 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 1is3 n ASN 26 Cb 0.88 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1is3 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1is3 s ALA 27 N -3.68 3.49 -0.19 5.41 0.00 -1.10 -4.95 121.76 120.75 1is3 s ALA 27 Ca 0.27 1.52 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 1is3 s ALA 27 Cb 0.32 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 1is3 s ALA 27 CO -0.04 -1.05 0.11 0.00 0.00 0.00 0.00 175.76 174.77 1is3 h THR 28 N 2.83 0.67 -2.08 0.00 1.03 -1.89 -3.41 112.91 110.05 1is3 h THR 28 Ca -0.51 -1.86 0.10 0.00 -0.01 0.00 0.00 66.41 64.13 1is3 h THR 28 Cb 1.24 1.62 -0.17 0.00 -1.07 0.00 0.00 68.15 69.77 1is3 h THR 28 CO 0.64 0.23 0.51 0.00 -0.01 0.00 0.00 175.52 176.88 1is3 s ARG 29 N -2.33 0.76 0.06 0.00 1.70 -1.26 -0.59 118.95 117.29 1is3 s ARG 29 Ca -0.25 -0.18 -0.09 0.00 -0.47 0.00 0.00 55.73 54.75 1is3 s ARG 29 Cb 0.05 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1is3 s ARG 29 CO 0.49 -0.31 0.18 -0.59 -1.08 0.00 0.00 175.30 173.99 1is3 s PHE 30 N -2.59 0.11 0.12 5.89 -0.71 -0.89 -1.29 117.98 118.63 1is3 s PHE 30 Ca 0.03 -0.42 0.05 0.00 -1.04 0.00 0.00 56.93 55.55 1is3 s PHE 30 Cb -0.01 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1is3 s PHE 30 CO -0.06 -0.47 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.70 1is3 s SER 31 N -2.40 1.79 -0.10 1.98 1.04 -0.11 -0.43 113.70 115.47 1is3 s SER 31 Ca -0.01 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.55 1is3 s SER 31 Cb 0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1is3 s SER 31 CO -0.07 -0.23 -0.08 -0.63 0.98 0.00 0.00 173.24 173.21 1is3 s ILE 32 N -2.53 3.54 -0.04 -1.02 1.01 -0.60 -1.75 121.20 119.81 1is3 s ILE 32 Ca 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1is3 s ILE 32 Cb -0.02 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1is3 s ILE 32 CO 0.02 0.55 -0.08 0.20 0.00 0.00 0.00 174.94 175.63 1is3 s ASN 33 N -0.21 1.25 -0.12 3.58 0.01 0.09 -1.06 114.94 118.49 1is3 s ASN 33 Ca 0.02 -0.19 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1is3 s ASN 33 Cb -0.13 -0.50 0.01 0.00 0.41 0.00 0.00 41.25 41.05 1is3 s ASN 33 CO 0.03 0.02 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.78 1is3 s VAL 34 N 0.57 1.61 0.00 1.60 1.01 -0.37 -1.36 120.40 123.45 1is3 s VAL 34 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1is3 s VAL 34 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1is3 s VAL 34 CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1is3 n GLY 35 N 4.26 1.21 0.02 4.51 0.00 -0.38 -0.77 105.19 114.04 1is3 n GLY 35 Ca -0.19 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1is3 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1is3 n GLU 36 N 0.00 3.00 -3.82 1.61 1.02 -0.16 -1.61 120.64 120.67 1is3 n GLU 36 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1is3 n GLU 36 Cb 0.00 -1.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1is3 n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1is3 s SER 37 N -3.60 -0.05 0.00 1.62 1.04 -1.04 -4.63 113.70 107.05 1is3 s SER 37 Ca -0.03 -0.96 0.18 0.00 0.48 0.00 0.00 55.95 55.62 1is3 s SER 37 Cb 0.01 0.77 0.97 0.00 0.10 0.00 0.00 66.02 67.88 1is3 s SER 37 CO 0.16 -1.51 1.50 0.35 0.98 0.00 0.00 173.24 174.73 1is3 n THR 38 N -0.54 0.26 -0.23 2.02 -2.24 -1.26 -2.39 114.28 109.91 1is3 n THR 38 Ca -0.07 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1is3 n THR 38 Cb 0.60 -0.78 0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1is3 n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1is3 n ASP 39 N -1.15 2.07 -3.39 3.42 4.64 -1.26 -4.91 116.55 115.96 1is3 n ASP 39 Ca 0.11 -2.22 -0.19 0.00 -1.38 0.00 0.00 54.79 51.11 1is3 n ASP 39 Cb 0.10 -0.09 -0.09 0.00 -1.04 0.00 0.00 41.12 40.00 1is3 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1is3 s SER 40 N -1.39 1.65 -0.13 1.67 0.15 -1.00 -2.08 113.70 112.56 1is3 s SER 40 Ca 0.07 -1.26 -0.00 0.00 0.70 0.00 0.00 55.95 55.46 1is3 s SER 40 Cb 0.06 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1is3 s SER 40 CO 0.01 -0.33 -0.11 -0.63 1.20 0.00 0.00 173.24 173.38 1is3 s ILE 41 N 1.84 1.27 0.12 6.45 1.01 -0.21 -0.99 121.20 130.68 1is3 s ILE 41 Ca 0.13 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1is3 s ILE 41 Cb -0.15 -1.25 -0.22 0.00 0.01 0.00 0.00 42.46 40.85 1is3 s ILE 41 CO -0.17 0.40 1.26 0.00 0.00 0.00 0.00 174.94 176.43 1is3 h ALA 42 N 8.12 0.32 -2.83 9.38 0.00 -1.21 0.25 119.26 133.29 1is3 h ALA 42 Ca -0.33 -0.86 -0.43 0.00 0.00 0.00 0.00 54.91 53.29 1is3 h ALA 42 Cb 1.13 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.44 1is3 h ALA 42 CO 0.46 1.09 -0.72 1.41 0.00 0.00 0.00 179.25 181.49 1is3 s MET 43 N -2.81 0.13 -0.24 0.00 -2.45 -0.86 -4.47 119.30 108.59 1is3 s MET 43 Ca -0.01 -0.09 -0.10 0.00 -1.25 0.00 0.00 55.69 54.24 1is3 s MET 43 Cb 0.09 -1.51 -0.04 0.00 1.25 0.00 0.00 34.83 34.62 1is3 s MET 43 CO 0.84 -0.74 0.14 -1.58 1.05 0.00 0.00 175.02 174.72 1is3 s HIS 44 N 2.19 3.24 -0.29 4.11 2.46 0.21 -1.24 115.29 125.96 1is3 s HIS 44 Ca 0.05 0.06 0.03 0.00 0.47 0.00 0.00 55.06 55.66 1is3 s HIS 44 Cb -0.16 -2.26 0.08 0.00 -0.13 0.00 0.00 32.58 30.11 1is3 s HIS 44 CO -0.16 -0.05 -0.02 1.41 -2.47 0.00 0.00 174.74 173.44 1is3 s MET 45 N 1.23 1.77 -0.16 2.88 -2.45 -0.22 -1.88 119.30 120.48 1is3 s MET 45 Ca 0.06 -1.53 -0.08 0.00 -1.25 0.00 0.00 55.69 52.89 1is3 s MET 45 Cb -0.14 -2.95 -0.04 0.00 1.25 0.00 0.00 34.83 32.94 1is3 s MET 45 CO 0.05 -0.75 0.14 0.34 1.05 0.00 0.00 175.02 175.85 1is3 s ASP 46 N 1.07 6.31 -0.38 1.11 2.15 0.38 -1.56 116.67 125.75 1is3 s ASP 46 Ca 0.01 0.36 -0.05 0.00 0.43 0.00 0.00 52.55 53.30 1is3 s ASP 46 Cb -0.19 -2.08 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 1is3 s ASP 46 CO -0.07 0.30 0.16 -1.00 -0.17 0.00 0.00 175.17 174.39 1is3 s HIS 47 N -0.39 3.38 -0.35 -5.34 3.76 0.42 -1.36 115.29 115.42 1is3 s HIS 47 Ca 0.12 -1.83 -0.09 0.00 -0.15 0.00 0.00 55.06 53.11 1is3 s HIS 47 Cb -0.12 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 30.86 1is3 s HIS 47 CO 0.01 -0.85 0.16 1.03 -0.85 0.00 0.00 174.74 174.24 1is3 s ARG 48 N 1.31 2.87 -0.15 1.40 0.52 -0.29 -2.09 118.95 122.53 1is3 s ARG 48 Ca 0.02 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 53.93 1is3 s ARG 48 Cb -0.22 -3.59 -0.24 0.00 0.52 0.00 0.00 34.95 31.42 1is3 s ARG 48 CO -0.00 -0.62 0.66 0.74 0.02 0.00 0.00 175.30 176.09 1is3 h PHE 49 N 8.34 0.00 -1.83 -0.53 -1.00 -1.12 0.26 116.94 121.06 1is3 h PHE 49 Ca -0.27 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.38 1is3 h PHE 49 Cb 1.11 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 40.38 1is3 h PHE 49 CO 0.59 1.08 -0.47 0.45 -1.61 0.00 0.00 178.31 178.36 1is3 s SER 50 N -6.33 0.13 -0.23 2.17 0.15 -0.59 -2.99 113.70 106.02 1is3 s SER 50 Ca -0.21 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 1is3 s SER 50 Cb -0.01 1.19 0.11 0.00 -1.71 0.00 0.00 66.02 65.60 1is3 s SER 50 CO 0.66 -0.30 0.27 -0.47 1.20 0.00 0.00 173.24 174.61 1is3 s TYR 51 N 2.57 -0.45 0.00 3.44 5.04 0.24 -4.64 117.35 123.55 1is3 s TYR 51 Ca 0.13 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1is3 s TYR 51 Cb -0.15 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.88 1is3 s TYR 51 CO -0.17 -0.68 0.00 0.41 -1.34 0.00 0.00 175.55 173.78 1is3 n GLY 52 N 5.33 3.74 0.21 8.97 0.00 -1.26 -0.60 105.19 121.59 1is3 n GLY 52 Ca -0.05 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1is3 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is3 n ALA 53 N 12.15 2.74 -2.67 4.61 0.00 -1.26 -4.87 120.51 131.22 1is3 n ALA 53 Ca 0.00 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 1is3 n ALA 53 Cb 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 1is3 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1is3 s ASP 54 N -2.27 6.84 -0.05 0.00 1.01 0.23 -5.04 116.67 117.38 1is3 s ASP 54 Ca 0.34 1.02 -0.01 0.00 0.71 0.00 0.00 52.55 54.61 1is3 s ASP 54 Cb 0.20 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.76 1is3 s ASP 54 CO 0.43 -0.29 0.03 -1.10 0.21 0.00 0.00 175.17 174.44 1is3 s GLN 55 N 1.81 0.26 -1.10 8.23 -0.21 -1.26 -0.59 119.66 126.80 1is3 s GLN 55 Ca 0.34 0.22 -0.12 0.00 0.02 0.00 0.00 55.36 55.82 1is3 s GLN 55 Cb -0.16 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 33.11 1is3 s GLN 55 CO 0.12 -0.29 0.86 0.09 -2.12 0.00 0.00 175.29 173.96 1is3 n ASN 56 N 5.05 -5.89 -4.00 5.90 3.02 0.86 -4.99 115.26 115.21 1is3 n ASN 56 Ca -0.09 -0.84 -0.11 0.00 -0.03 0.00 0.00 54.58 53.52 1is3 n ASN 56 Cb 0.50 -4.44 -0.11 0.00 -0.61 0.00 0.00 39.78 35.12 1is3 n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1is3 s VAL 57 N -3.43 0.24 -0.11 2.41 0.11 -0.92 -4.79 120.40 113.92 1is3 s VAL 57 Ca 0.45 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.50 1is3 s VAL 57 Cb -0.10 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1is3 s VAL 57 CO 0.79 -0.42 0.25 -0.76 -3.33 0.00 0.00 175.10 171.63 1is3 s LEU 58 N -1.37 4.36 -0.10 2.54 1.43 0.37 -1.13 118.68 124.77 1is3 s LEU 58 Ca -0.13 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1is3 s LEU 58 Cb -0.09 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1is3 s LEU 58 CO -0.01 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.01 1is3 s VAL 59 N -0.53 1.52 -0.05 -1.59 1.01 -0.46 -1.15 120.40 119.15 1is3 s VAL 59 Ca 0.17 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1is3 s VAL 59 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1is3 s VAL 59 CO 0.06 0.44 -0.16 -0.76 0.00 0.00 0.00 175.10 174.68 1is3 s LEU 60 N 0.86 2.62 0.24 3.92 1.02 0.75 -0.47 118.68 127.61 1is3 s LEU 60 Ca -0.09 -0.25 -0.22 0.00 0.02 0.00 0.00 54.13 53.59 1is3 s LEU 60 Cb -0.15 -1.52 0.05 0.00 0.02 0.00 0.00 46.19 44.58 1is3 s LEU 60 CO 0.00 0.33 0.86 0.21 0.02 0.00 0.00 176.35 177.77 1is3 s ASN 61 N -0.66 -0.16 0.18 2.29 3.84 -0.79 -0.80 114.94 118.83 1is3 s ASN 61 Ca 0.10 -0.62 0.11 0.00 0.21 0.00 0.00 52.86 52.66 1is3 s ASN 61 Cb -0.11 0.63 -0.04 0.00 -0.55 0.00 0.00 41.25 41.18 1is3 s ASN 61 CO 0.00 -1.19 -0.24 -0.94 -2.79 0.00 0.00 177.10 171.94 1is3 s SER 62 N -3.00 3.34 -0.12 -4.21 1.04 -1.26 -0.62 113.70 108.87 1is3 s SER 62 Ca 0.13 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1is3 s SER 62 Cb -0.04 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1is3 s SER 62 CO 0.06 0.12 -0.18 -0.22 0.98 0.00 0.00 173.24 174.00 1is3 s LEU 63 N -2.51 1.86 -0.15 2.42 2.96 0.08 -1.52 118.68 121.82 1is3 s LEU 63 Ca 0.19 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1is3 s LEU 63 Cb -0.08 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1is3 s LEU 63 CO 0.09 0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.51 1is3 s VAL 64 N 0.92 4.69 0.21 1.68 1.01 -0.43 -1.05 120.40 127.43 1is3 s VAL 64 Ca -0.07 -0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 1is3 s VAL 64 Cb -0.15 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 1is3 s VAL 64 CO -0.02 0.51 1.67 1.57 0.00 0.00 0.00 175.10 178.84 1is3 n HIS 65 N 3.05 2.64 -1.40 5.22 -0.00 -0.88 -1.04 115.22 122.80 1is3 n HIS 65 Ca -0.17 0.13 -0.15 0.00 0.46 0.00 0.00 57.72 57.98 1is3 n HIS 65 Cb 0.53 -2.63 -0.06 0.00 -0.12 0.00 0.00 29.99 27.71 1is3 n HIS 65 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1is3 n ASN 66 N 3.59 -5.02 0.04 0.26 4.05 -1.26 -4.72 115.26 112.20 1is3 n ASN 66 Ca 0.15 0.36 0.00 0.00 0.45 0.00 0.00 54.58 55.55 1is3 n ASN 66 Cb 0.34 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.21 1is3 n ASN 66 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1is3 n VAL 67 N -2.14 0.37 0.00 3.44 0.31 -0.44 -5.17 118.33 114.70 1is3 n VAL 67 Ca -0.15 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1is3 n VAL 67 Cb 0.58 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1is3 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1is3 n GLY 68 N 2.61 0.49 3.76 2.92 0.00 -0.21 -4.96 105.19 109.80 1is3 n GLY 68 Ca 0.00 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1is3 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1is3 s TRP 69 N -0.68 3.56 0.00 1.61 0.52 -1.26 -1.31 118.94 121.38 1is3 s TRP 69 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 56.10 57.83 1is3 s TRP 69 Cb 0.00 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 1is3 s TRP 69 CO 0.00 -0.44 0.00 1.04 0.02 0.00 0.00 176.95 177.57 1is3 n GLN 70 N 0.95 3.63 -2.83 4.98 1.13 -0.57 -4.97 117.38 119.69 1is3 n GLN 70 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1is3 n GLN 70 Cb 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.77 1is3 n GLN 70 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1is3 s GLN 71 N 3.58 4.30 0.41 -1.09 0.74 -1.26 -4.89 119.66 121.46 1is3 s GLN 71 Ca 0.00 1.11 -0.25 0.00 0.05 0.00 0.00 55.36 56.27 1is3 s GLN 71 Cb 0.00 -3.58 -0.08 0.00 1.10 0.00 0.00 33.01 30.45 1is3 s GLN 71 CO 0.00 -0.37 1.19 -1.21 -0.55 0.00 0.00 175.29 174.35 1is3 s GLU 72 N 2.29 3.97 -0.02 1.67 2.02 -1.26 -4.73 118.70 122.64 1is3 s GLU 72 Ca 0.40 1.87 0.08 0.00 0.02 0.00 0.00 54.97 57.34 1is3 s GLU 72 Cb -0.17 -2.63 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1is3 s GLU 72 CO 0.12 -0.40 -0.26 -1.21 0.02 0.00 0.00 175.26 173.53 1is3 s GLU 73 N -2.38 2.06 0.07 1.61 2.02 0.01 -4.97 118.70 117.12 1is3 s GLU 73 Ca 0.59 -0.93 0.09 0.00 0.02 0.00 0.00 54.97 54.74 1is3 s GLU 73 Cb -0.31 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 1is3 s GLU 73 CO 0.39 0.55 -0.24 1.03 0.02 0.00 0.00 175.26 177.01 1is3 s ARG 74 N -0.65 1.49 0.04 1.61 0.52 -1.26 -0.18 118.95 120.53 1is3 s ARG 74 Ca 0.10 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 1is3 s ARG 74 Cb -0.10 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 1is3 s ARG 74 CO -0.01 0.44 -0.08 0.45 0.02 0.00 0.00 175.30 176.12 1is3 s SER 75 N -1.53 0.93 0.00 0.23 0.15 -0.30 -5.00 113.70 108.18 1is3 s SER 75 Ca 0.10 -0.49 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1is3 s SER 75 Cb -0.10 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1is3 s SER 75 CO 0.03 -0.14 1.09 2.29 1.20 0.00 0.00 173.24 177.71 1is3 n LYS 76 N 1.68 0.27 -2.13 5.44 0.00 -1.26 -0.48 118.16 121.69 1is3 n LYS 76 Ca -0.21 -0.21 -0.43 0.00 -0.00 0.00 0.00 58.31 57.46 1is3 n LYS 76 Cb 0.55 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.06 1is3 n LYS 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1is3 s LYS 77 N -2.87 3.97 -0.43 -1.58 1.02 -1.26 -4.92 119.74 113.66 1is3 s LYS 77 Ca 0.12 1.81 0.07 0.00 0.02 0.00 0.00 55.97 57.98 1is3 s LYS 77 Cb 0.17 -3.98 0.22 0.00 -0.52 0.00 0.00 37.83 33.72 1is3 s LYS 77 CO 0.76 -1.09 0.58 0.34 -0.92 0.00 0.00 175.35 175.02 1is3 n PHE 78 N 7.82 -1.50 -1.21 3.18 -0.00 -1.26 -4.58 117.46 119.91 1is3 n PHE 78 Ca 0.18 -2.89 -0.20 0.00 -0.00 0.00 0.00 57.45 54.54 1is3 n PHE 78 Cb 0.44 0.39 -0.12 0.00 -0.00 0.00 0.00 39.48 40.19 1is3 n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1is3 n PRO 79 N 1.96 2.35 -4.97 -7.13 -0.04 -1.26 -4.89 135.00 121.02 1is3 n PRO 79 Ca 0.20 -1.60 -0.28 0.00 -0.04 0.00 0.00 63.50 61.78 1is3 n PRO 79 Cb 0.54 -2.13 -0.15 0.00 -0.04 0.00 0.00 33.50 31.72 1is3 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1is3 s PHE 80 N 0.15 2.01 -0.04 0.54 0.08 -1.26 -4.87 117.98 114.59 1is3 s PHE 80 Ca 0.64 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.34 1is3 s PHE 80 Cb 0.32 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 1is3 s PHE 80 CO -0.08 0.02 -0.13 0.99 -0.10 0.00 0.00 175.22 175.92 1is3 s THR 81 N -0.63 1.15 0.30 0.64 2.01 -1.26 -5.11 115.64 112.73 1is3 s THR 81 Ca 0.09 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1is3 s THR 81 Cb -0.09 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.30 1is3 s THR 81 CO 0.00 0.34 1.51 0.29 -0.69 0.00 0.00 174.62 176.08 1is3 n LYS 82 N 3.30 2.50 -0.23 4.92 5.02 -1.26 -1.90 118.16 130.50 1is3 n LYS 82 Ca -0.19 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1is3 n LYS 82 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1is3 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1is3 n GLY 83 N 1.84 1.66 3.81 0.72 0.00 0.07 -4.81 105.19 108.46 1is3 n GLY 83 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1is3 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1is3 s ASP 84 N -3.25 5.24 0.62 1.61 -0.00 -0.80 -4.75 116.67 115.33 1is3 s ASP 84 Ca 0.00 -0.44 -0.14 0.00 -0.00 0.00 0.00 52.55 51.97 1is3 s ASP 84 Cb 0.00 -1.11 -0.03 0.00 -0.00 0.00 0.00 42.92 41.78 1is3 s ASP 84 CO 0.00 -0.18 1.05 -1.00 -0.00 0.00 0.00 175.17 175.04 1is3 s HIS 85 N -2.25 3.10 0.13 4.23 3.76 -1.26 -1.05 115.29 121.94 1is3 s HIS 85 Ca 0.36 1.47 -0.04 0.00 -0.15 0.00 0.00 55.06 56.71 1is3 s HIS 85 Cb -0.06 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1is3 s HIS 85 CO 0.25 -1.06 0.12 -0.59 -0.85 0.00 0.00 174.74 172.61 1is3 s PHE 86 N -2.67 0.64 -0.09 1.40 -0.71 -0.12 -4.87 117.98 111.56 1is3 s PHE 86 Ca 0.61 -1.04 -0.05 0.00 -1.04 0.00 0.00 56.93 55.42 1is3 s PHE 86 Cb -0.15 -0.32 0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1is3 s PHE 86 CO 0.42 -0.56 0.22 -1.14 -1.34 0.00 0.00 175.22 172.82 1is3 s GLN 87 N -4.00 0.17 -0.01 1.99 0.74 -1.26 -1.71 119.66 115.59 1is3 s GLN 87 Ca 0.19 0.49 0.02 0.00 0.05 0.00 0.00 55.36 56.11 1is3 s GLN 87 Cb 0.06 -0.14 -0.00 0.00 1.10 0.00 0.00 33.01 34.03 1is3 s GLN 87 CO -0.01 -0.17 -0.07 0.99 -0.55 0.00 0.00 175.29 175.48 1is3 s THR 88 N 1.28 0.54 -0.05 -0.34 2.01 -0.49 -2.16 115.64 116.43 1is3 s THR 88 Ca -0.09 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1is3 s THR 88 Cb -0.11 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1is3 s THR 88 CO -0.08 0.16 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.90 1is3 s THR 89 N -0.09 1.84 -0.03 -0.82 2.01 -0.84 -1.10 115.64 116.61 1is3 s THR 89 Ca 0.02 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1is3 s THR 89 Cb -0.03 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1is3 s THR 89 CO -0.00 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 1is3 s ILE 90 N -0.09 1.14 0.23 1.82 1.01 0.20 -0.45 121.20 125.05 1is3 s ILE 90 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1is3 s ILE 90 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1is3 s ILE 90 CO 0.03 0.33 0.17 0.28 0.00 0.00 0.00 174.94 175.76 1is3 s THR 91 N -0.03 0.00 0.08 2.92 -1.32 -0.48 -1.38 115.64 115.43 1is3 s THR 91 Ca -0.01 -1.97 -0.26 0.00 -1.21 0.00 0.00 61.69 58.24 1is3 s THR 91 Cb -0.09 -2.49 0.07 0.00 -1.51 0.00 0.00 72.50 68.48 1is3 s THR 91 CO 0.01 0.00 0.64 0.72 -2.21 0.00 0.00 174.62 173.78 1is3 s PHE 92 N -4.01 -0.58 0.00 9.09 -0.71 -1.26 -0.56 117.98 119.96 1is3 s PHE 92 Ca 0.39 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.89 1is3 s PHE 92 Cb 0.06 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 1is3 s PHE 92 CO 0.15 -0.75 0.00 -0.40 -1.34 0.00 0.00 175.22 172.87 1is3 n ASP 93 N 0.08 1.83 0.00 1.98 3.85 -0.55 -3.67 116.55 120.08 1is3 n ASP 93 Ca -0.17 -0.52 0.09 0.00 -0.71 0.00 0.00 54.79 53.47 1is3 n ASP 93 Cb 0.62 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 40.80 1is3 n ASP 93 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1is3 n THR 94 N 0.00 0.69 -0.03 2.12 -2.24 -1.26 -3.30 114.28 110.26 1is3 n THR 94 Ca 0.00 0.17 0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1is3 n THR 94 Cb 0.00 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 1is3 n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1is3 n HIS 95 N -1.50 0.00 -3.77 4.78 8.25 -1.26 -4.26 115.22 117.46 1is3 n HIS 95 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1is3 n HIS 95 Cb 0.22 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 30.80 1is3 n HIS 95 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1is3 s THR 96 N -2.61 -0.02 -0.10 1.59 2.01 -1.21 -0.96 115.64 114.36 1is3 s THR 96 Ca -0.05 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 1is3 s THR 96 Cb 0.06 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1is3 s THR 96 CO 0.50 0.02 0.54 -0.36 -0.69 0.00 0.00 174.62 174.63 1is3 s PHE 97 N 0.55 3.54 -0.28 4.92 0.08 0.99 -1.49 117.98 126.30 1is3 s PHE 97 Ca -0.04 1.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.97 1is3 s PHE 97 Cb -0.05 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1is3 s PHE 97 CO -0.03 0.16 0.04 0.71 -0.10 0.00 0.00 175.22 176.00 1is3 s TYR 98 N 0.60 3.12 -0.09 0.36 1.51 0.28 -1.71 117.35 121.41 1is3 s TYR 98 Ca 0.29 -1.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 1is3 s TYR 98 Cb -0.16 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1is3 s TYR 98 CO 0.13 -0.61 -0.15 0.42 -1.11 0.00 0.00 175.55 174.23 1is3 s ILE 99 N 1.46 2.96 -0.12 2.71 1.01 -0.02 -1.38 121.20 127.81 1is3 s ILE 99 Ca 0.02 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1is3 s ILE 99 Cb -0.17 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1is3 s ILE 99 CO 0.00 0.56 -0.21 -1.58 0.00 0.00 0.00 174.94 173.70 1is3 s GLN 100 N -0.12 2.88 0.75 2.79 0.74 0.40 -1.13 119.66 125.97 1is3 s GLN 100 Ca -0.02 -0.81 -0.07 0.00 0.05 0.00 0.00 55.36 54.51 1is3 s GLN 100 Cb -0.14 -2.29 0.09 0.00 1.10 0.00 0.00 33.01 31.78 1is3 s GLN 100 CO 0.04 0.04 1.06 -0.51 -0.55 0.00 0.00 175.29 175.37 1is3 s LEU 101 N 0.68 2.81 0.35 3.68 1.43 0.48 -1.98 118.68 126.13 1is3 s LEU 101 Ca -0.11 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1is3 s LEU 101 Cb -0.16 -2.85 0.78 0.00 0.03 0.00 0.00 46.19 43.99 1is3 s LEU 101 CO 0.02 -1.81 1.87 0.28 0.23 0.00 0.00 176.35 176.94 1is3 h SER 102 N -0.76 0.69 -0.19 2.29 0.02 -1.75 -1.66 113.55 112.19 1is3 h SER 102 Ca -0.43 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1is3 h SER 102 Cb 1.30 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1is3 h SER 102 CO 0.55 0.36 0.00 -0.46 -1.14 0.00 0.00 176.83 176.13 1is3 n ASN 103 N -4.56 1.56 0.00 3.07 6.94 -1.26 -4.91 115.26 116.09 1is3 n ASN 103 Ca 0.17 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1is3 n ASN 103 Cb 0.44 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 1is3 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1is3 n GLY 104 N 1.08 1.20 3.78 4.83 0.00 -0.63 -5.06 105.19 110.40 1is3 n GLY 104 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1is3 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1is3 s GLU 105 N -0.76 3.12 0.23 1.61 2.02 -1.26 -4.70 118.70 118.96 1is3 s GLU 105 Ca 0.00 1.40 0.11 0.00 0.02 0.00 0.00 54.97 56.50 1is3 s GLU 105 Cb 0.00 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.19 1is3 s GLU 105 CO 0.00 -1.00 -0.21 0.95 0.02 0.00 0.00 175.26 175.02 1is3 s THR 106 N -2.21 2.35 0.00 3.63 -4.23 -1.26 -0.38 115.64 113.54 1is3 s THR 106 Ca 0.67 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1is3 s THR 106 Cb -0.20 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1is3 s THR 106 CO 0.35 -0.29 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.38 1is3 s VAL 107 N -2.16 0.60 0.07 2.29 1.01 -0.28 -4.98 120.40 116.95 1is3 s VAL 107 Ca 0.25 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1is3 s VAL 107 Cb -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1is3 s VAL 107 CO 0.12 0.08 -0.24 -1.61 0.00 0.00 0.00 175.10 173.45 1is3 s GLU 108 N -0.42 1.74 -0.06 2.72 8.01 -1.26 -0.84 118.70 128.59 1is3 s GLU 108 Ca 0.01 -1.16 -0.04 0.00 0.01 0.00 0.00 54.97 53.79 1is3 s GLU 108 Cb -0.04 -2.01 0.02 0.00 -4.31 0.00 0.00 34.13 27.79 1is3 s GLU 108 CO -0.00 0.50 0.14 0.12 0.01 0.00 0.00 175.26 176.03 1is3 s PHE 109 N -0.93 -0.16 0.50 1.61 5.36 -0.69 -4.97 117.98 118.69 1is3 s PHE 109 Ca 0.13 0.43 -0.24 0.00 -0.96 0.00 0.00 56.93 56.30 1is3 s PHE 109 Cb -0.10 0.00 -0.07 0.00 -0.34 0.00 0.00 43.02 42.51 1is3 s PHE 109 CO 0.04 -0.11 1.40 -1.25 -1.46 0.00 0.00 175.22 173.84 1is3 s PRO 110 N 0.53 3.42 -1.05 10.12 0.04 -1.26 -0.01 135.00 146.79 1is3 s PRO 110 Ca -0.04 2.34 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 1is3 s PRO 110 Cb -0.05 -2.46 0.13 0.00 0.04 0.00 0.00 34.50 32.15 1is3 s PRO 110 CO -0.02 -1.00 1.31 1.21 0.04 0.00 0.00 177.00 178.53 1is3 s ASN 111 N -0.72 6.75 0.38 6.66 3.04 -0.13 -4.67 114.94 126.26 1is3 s ASN 111 Ca 0.66 -2.26 0.08 0.00 0.04 0.00 0.00 52.86 51.37 1is3 s ASN 111 Cb -0.42 -2.44 0.76 0.00 -1.54 0.00 0.00 41.25 37.61 1is3 s ASN 111 CO 0.52 -1.04 1.94 0.03 -3.04 0.00 0.00 177.10 175.51 1is3 h ARG 112 N 8.39 0.39 -0.02 0.43 3.08 -1.87 -2.38 114.38 122.40 1is3 h ARG 112 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1is3 h ARG 112 Cb 0.97 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1is3 h ARG 112 CO 1.22 0.41 -0.12 0.09 -1.07 0.00 0.00 179.97 180.51 1is3 n ASN 113 N -4.33 1.77 -2.65 7.04 5.03 -1.26 -4.94 115.26 115.91 1is3 n ASN 113 Ca 0.01 -1.46 -0.20 0.00 0.87 0.00 0.00 54.58 53.79 1is3 n ASN 113 Cb 0.21 0.09 0.02 0.00 -1.02 0.00 0.00 39.78 39.08 1is3 n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1is3 n LYS 114 N 0.21 -3.90 -2.30 3.52 4.76 -0.90 -4.99 118.16 114.56 1is3 n LYS 114 Ca 0.15 0.86 -0.36 0.00 -2.87 0.00 0.00 58.31 56.09 1is3 n LYS 114 Cb 0.42 -5.53 -0.01 0.00 -1.84 0.00 0.00 35.03 28.07 1is3 n LYS 114 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1is3 s ASP 115 N -2.61 5.96 0.00 4.39 -0.00 -1.26 -4.94 116.67 118.21 1is3 s ASP 115 Ca 0.22 2.19 0.09 0.00 -0.00 0.00 0.00 52.55 55.04 1is3 s ASP 115 Cb -0.10 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.22 1is3 s ASP 115 CO 0.27 -1.05 0.55 0.00 -0.00 0.00 0.00 175.17 174.94 1is3 n ALA 116 N -0.97 2.83 -3.38 5.23 0.00 -1.26 -4.69 120.51 118.27 1is3 n ALA 116 Ca 0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1is3 n ALA 116 Cb 0.50 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1is3 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1is3 s ALA 117 N -1.35 -1.30 -0.01 0.00 0.00 -1.26 -1.50 121.76 116.34 1is3 s ALA 117 Ca 0.07 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1is3 s ALA 117 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1is3 s ALA 117 CO 0.25 -0.33 -0.07 -0.06 0.00 0.00 0.00 175.76 175.55 1is3 s PHE 118 N -1.33 0.69 -1.98 0.00 0.08 -0.18 -4.95 117.98 110.32 1is3 s PHE 118 Ca -0.12 -0.15 0.20 0.00 0.12 0.00 0.00 56.93 56.99 1is3 s PHE 118 Cb -0.02 -0.49 0.46 0.00 -0.57 0.00 0.00 43.02 42.40 1is3 s PHE 118 CO 0.07 -0.05 1.39 0.09 -0.10 0.00 0.00 175.22 176.61 1is3 n ASN 119 N 3.16 3.46 -3.73 1.36 4.13 -0.99 -0.88 115.26 121.76 1is3 n ASN 119 Ca -0.16 -1.96 -0.14 0.00 1.68 0.00 0.00 54.58 54.00 1is3 n ASN 119 Cb 0.56 -0.31 -0.14 0.00 -1.54 0.00 0.00 39.78 38.35 1is3 n ASN 119 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1is3 s LEU 120 N -1.21 0.52 -0.09 3.41 2.96 -0.63 -0.88 118.68 122.76 1is3 s LEU 120 Ca 0.38 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1is3 s LEU 120 Cb 0.21 0.47 0.01 0.00 0.50 0.00 0.00 46.19 47.38 1is3 s LEU 120 CO 0.29 -0.17 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 1is3 s ILE 121 N 1.36 1.51 0.08 6.68 1.01 -0.65 -1.25 121.20 129.93 1is3 s ILE 121 Ca -0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 1is3 s ILE 121 Cb -0.11 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1is3 s ILE 121 CO -0.07 0.44 0.29 -0.72 0.00 0.00 0.00 174.94 174.89 1is3 s TYR 122 N 0.71 -0.05 -0.08 3.97 -0.85 -0.46 -1.05 117.35 119.54 1is3 s TYR 122 Ca -0.12 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1is3 s TYR 122 Cb -0.16 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 1is3 s TYR 122 CO 0.03 -0.57 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.25 1is3 s LEU 123 N -2.52 3.19 0.14 -3.49 0.20 -0.53 -0.73 118.68 114.94 1is3 s LEU 123 Ca 0.00 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.83 1is3 s LEU 123 Cb 0.02 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1is3 s LEU 123 CO -0.08 0.35 -0.07 0.00 -0.29 0.00 0.00 176.35 176.26 1is3 s ALA 124 N -0.70 1.33 0.00 5.97 0.00 -0.71 -3.48 121.76 124.16 1is3 s ALA 124 Ca 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1is3 s ALA 124 Cb -0.11 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1is3 s ALA 124 CO 0.02 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1is3 n GLY 125 N -0.18 -0.72 2.59 0.00 0.00 -1.26 -0.93 105.19 104.69 1is3 n GLY 125 Ca -0.10 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1is3 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1is3 n ASP 126 N 0.40 7.22 -3.72 1.61 10.43 -0.41 -4.84 116.55 127.24 1is3 n ASP 126 Ca 0.00 -3.14 -0.07 0.00 2.57 0.00 0.00 54.79 54.15 1is3 n ASP 126 Cb 0.00 -1.39 -0.01 0.00 1.84 0.00 0.00 41.12 41.56 1is3 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1is3 s ALA 127 N -0.76 -1.19 0.04 2.24 0.00 -1.26 -1.52 121.76 119.31 1is3 s ALA 127 Ca 0.50 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1is3 s ALA 127 Cb 0.16 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1is3 s ALA 127 CO -0.06 -1.03 -0.04 -0.98 0.00 0.00 0.00 175.76 173.64 1is3 s ARG 128 N -3.63 0.51 0.02 0.00 1.70 -0.59 -4.92 118.95 112.05 1is3 s ARG 128 Ca 0.12 -0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 54.43 1is3 s ARG 128 Cb -0.05 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1is3 s ARG 128 CO 0.07 -0.04 0.23 -0.51 -1.08 0.00 0.00 175.30 173.96 1is3 s LEU 129 N -2.13 4.36 -0.00 -1.89 1.43 -1.26 -1.32 118.68 117.86 1is3 s LEU 129 Ca -0.04 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1is3 s LEU 129 Cb -0.03 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1is3 s LEU 129 CO -0.04 0.23 0.03 0.35 0.23 0.00 0.00 176.35 177.15 1is3 n THR 130 N 0.84 0.01 -3.64 5.49 -2.24 0.55 -4.92 114.28 110.37 1is3 n THR 130 Ca -0.10 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1is3 n THR 130 Cb 0.52 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1is3 n THR 130 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1is3 s PHE 131 N -2.10 -0.26 -0.15 4.78 -0.71 -1.17 -4.99 117.98 113.39 1is3 s PHE 131 Ca -0.01 -0.05 -0.14 0.00 -1.04 0.00 0.00 56.93 55.69 1is3 s PHE 131 Cb 0.01 0.44 0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1is3 s PHE 131 CO 0.07 -0.89 0.40 0.54 -1.34 0.00 0.00 175.22 174.00 1is3 s VAL 132 N -3.83 -0.00 -0.08 -2.49 0.11 -1.26 -1.98 120.40 110.86 1is3 s VAL 132 Ca 0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1is3 s VAL 132 Cb -0.01 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1is3 s VAL 132 CO -0.07 0.00 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.49 1is3 s ARG 133 N 0.23 1.43 -0.24 1.54 0.52 0.16 -5.00 118.95 117.59 1is3 s ARG 133 Ca -0.00 -0.27 -0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1is3 s ARG 133 Cb -0.03 -1.38 0.07 0.00 0.52 0.00 0.00 34.95 34.14 1is3 s ARG 133 CO 0.00 -0.14 0.05 -1.17 0.02 0.00 0.00 175.30 174.07 1is3 s LEU 134 N 1.23 1.55 0.00 2.53 2.96 -1.26 -0.47 118.68 125.23 1is3 s LEU 134 Ca -0.04 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 1is3 s LEU 134 Cb -0.14 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.85 1is3 s LEU 134 CO -0.03 -0.34 0.00 -1.84 -1.32 0.00 0.00 176.35 172.82