#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is6 s ARG 3 N 0.00 0.53 -0.11 0.11 1.70 -1.26 -5.00 118.95 114.92 1is6 s ARG 3 Ca 0.00 0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 55.47 1is6 s ARG 3 Cb 0.00 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.58 1is6 s ARG 3 CO 0.00 -2.64 0.58 0.00 -1.08 0.00 0.00 175.30 172.16 1is6 s ALA 4 N -3.06 3.43 0.03 7.88 0.00 -1.14 -4.96 121.76 123.95 1is6 s ALA 4 Ca 0.65 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1is6 s ALA 4 Cb -0.17 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1is6 s ALA 4 CO 0.56 -0.11 0.12 -1.83 0.00 0.00 0.00 175.76 174.51 1is6 s GLU 5 N 0.86 0.60 -0.19 0.00 -1.05 -1.26 -1.60 118.70 116.06 1is6 s GLU 5 Ca 0.31 -0.68 0.01 0.00 -0.15 0.00 0.00 54.97 54.45 1is6 s GLU 5 Cb -0.16 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1is6 s GLU 5 CO 0.13 -0.16 -0.11 0.08 0.95 0.00 0.00 175.26 176.15 1is6 s VAL 6 N -2.45 1.64 -0.05 1.83 1.01 -0.44 -5.00 120.40 116.93 1is6 s VAL 6 Ca -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1is6 s VAL 6 Cb -0.02 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1is6 s VAL 6 CO -0.04 0.24 -0.11 -0.60 0.00 0.00 0.00 175.10 174.59 1is6 s ARG 7 N 1.41 1.42 -1.54 2.72 3.52 -1.26 -1.19 118.95 124.02 1is6 s ARG 7 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1is6 s ARG 7 Cb -0.15 -1.23 0.00 0.00 -1.56 0.00 0.00 34.95 32.00 1is6 s ARG 7 CO -0.09 0.08 0.00 0.09 -0.81 0.00 0.00 175.30 174.57 1is6 n ASN 8 N 3.57 -4.99 -4.16 -2.12 5.03 -0.12 -4.98 115.26 107.49 1is6 n ASN 8 Ca -0.21 0.11 -0.37 0.00 0.87 0.00 0.00 54.58 54.98 1is6 n ASN 8 Cb 0.53 -4.06 -0.12 0.00 -1.02 0.00 0.00 39.78 35.11 1is6 n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1is6 s ILE 9 N -2.78 3.42 0.09 2.41 1.01 -1.26 -5.07 121.20 119.03 1is6 s ILE 9 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 60.65 58.56 1is6 s ILE 9 Cb 0.00 -3.21 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 1is6 s ILE 9 CO 0.00 -0.52 1.80 -2.65 0.00 0.00 0.00 174.94 173.56 1is6 n PRO 10 N 4.67 2.57 -3.11 2.79 -0.02 -1.26 -4.83 135.00 135.81 1is6 n PRO 10 Ca -0.06 0.94 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 1is6 n PRO 10 Cb 0.42 -2.80 -0.05 0.00 -0.02 0.00 0.00 33.50 31.05 1is6 n PRO 10 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1is6 s PHE 11 N 2.62 3.00 0.32 6.00 5.36 0.34 -4.90 117.98 130.71 1is6 s PHE 11 Ca 0.83 -0.68 0.08 0.00 -0.96 0.00 0.00 56.93 56.20 1is6 s PHE 11 Cb -0.55 -3.78 -0.03 0.00 -0.34 0.00 0.00 43.02 38.31 1is6 s PHE 11 CO 0.40 -1.18 0.21 0.15 -1.46 0.00 0.00 175.22 173.34 1is6 s LYS 12 N 2.78 2.62 -0.21 10.12 1.02 -1.26 -1.13 119.74 133.69 1is6 s LYS 12 Ca 0.15 -1.34 -0.40 0.00 0.02 0.00 0.00 55.97 54.39 1is6 s LYS 12 Cb -0.21 -2.38 -0.17 0.00 -0.52 0.00 0.00 37.83 34.55 1is6 s LYS 12 CO 0.10 0.17 1.57 -0.11 -0.92 0.00 0.00 175.35 176.16 1is6 n LEU 13 N -1.24 1.81 0.00 3.17 7.94 -0.79 -1.22 117.00 126.67 1is6 n LEU 13 Ca -0.03 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1is6 n LEU 13 Cb 0.60 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1is6 n LEU 13 CO 0.43 -0.77 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 1is6 n GLY 14 N 3.54 1.70 3.93 -3.96 0.00 -1.25 -5.05 105.19 104.10 1is6 n GLY 14 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1is6 n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1is6 s MET 15 N -0.85 2.84 0.04 1.61 -1.94 -0.36 -5.05 119.30 115.59 1is6 s MET 15 Ca 0.00 -0.18 0.08 0.00 -1.71 0.00 0.00 55.69 53.88 1is6 s MET 15 Cb 0.00 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1is6 s MET 15 CO 0.00 -0.68 -0.22 0.71 -0.01 0.00 0.00 175.02 174.81 1is6 s TYR 16 N -2.92 1.96 -0.16 -0.03 1.51 -1.26 -4.57 117.35 111.87 1is6 s TYR 16 Ca 0.54 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1is6 s TYR 16 Cb -0.10 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1is6 s TYR 16 CO 0.43 0.09 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.59 1is6 s LEU 17 N -1.13 2.15 -0.12 -1.29 2.96 -0.67 -2.09 118.68 118.50 1is6 s LEU 17 Ca 0.09 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1is6 s LEU 17 Cb -0.09 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1is6 s LEU 17 CO 0.02 0.04 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.00 1is6 s THR 18 N 1.03 1.88 0.10 3.68 2.01 -0.42 -0.91 115.64 123.01 1is6 s THR 18 Ca -0.02 -0.89 0.09 0.00 0.31 0.00 0.00 61.69 61.19 1is6 s THR 18 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1is6 s THR 18 CO -0.07 0.52 -0.24 0.68 -0.69 0.00 0.00 174.62 174.82 1is6 s VAL 19 N 0.71 2.00 0.10 3.82 -7.23 -0.59 -0.89 120.40 118.32 1is6 s VAL 19 Ca -0.11 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1is6 s VAL 19 Cb -0.16 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1is6 s VAL 19 CO 0.01 0.10 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.96 1is6 s GLY 20 N -1.77 0.93 0.00 2.32 0.00 -0.88 -2.01 107.32 105.90 1is6 s GLY 20 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1is6 s GLY 20 CO 0.04 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1is6 n GLY 21 N 0.68 1.16 2.96 0.20 0.00 -0.78 -0.36 105.19 109.05 1is6 n GLY 21 Ca -0.17 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 1is6 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1is6 s VAL 22 N -2.45 0.78 0.09 1.61 1.01 -0.67 -1.18 120.40 119.59 1is6 s VAL 22 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1is6 s VAL 22 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1is6 s VAL 22 CO 0.00 0.27 0.97 -0.69 0.00 0.00 0.00 175.10 175.65 1is6 s VAL 23 N 0.62 4.55 0.61 2.92 1.01 -0.28 -1.85 120.40 127.98 1is6 s VAL 23 Ca -0.10 2.06 -0.18 0.00 0.00 0.00 0.00 61.98 63.75 1is6 s VAL 23 Cb -0.13 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1is6 s VAL 23 CO 0.01 0.28 1.23 0.20 0.00 0.00 0.00 175.10 176.82 1is6 s ASN 24 N 0.20 5.03 0.36 3.32 0.02 -0.49 -0.54 114.94 122.84 1is6 s ASN 24 Ca 0.48 2.44 -0.27 0.00 -1.02 0.00 0.00 52.86 54.49 1is6 s ASN 24 Cb -0.23 -2.60 -0.09 0.00 0.02 0.00 0.00 41.25 38.34 1is6 s ASN 24 CO 0.30 -1.70 1.25 -0.44 0.02 0.00 0.00 177.10 176.52 1is6 s SER 25 N -1.57 6.66 -1.47 -1.22 0.01 -1.26 -2.75 113.70 112.10 1is6 s SER 25 Ca 0.78 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.59 1is6 s SER 25 Cb -0.32 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.28 1is6 s SER 25 CO 0.35 -0.59 0.00 0.59 0.41 0.00 0.00 173.24 173.99 1is6 n ASN 26 N 0.51 -4.67 -4.75 2.44 3.02 -1.26 -4.94 115.26 105.61 1is6 n ASN 26 Ca 0.02 0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 54.48 1is6 n ASN 26 Cb 0.44 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1is6 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1is6 n ALA 27 N 1.07 2.04 -0.10 5.41 0.00 -1.11 -4.95 120.51 122.88 1is6 n ALA 27 Ca -0.14 0.33 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 1is6 n ALA 27 Cb 0.47 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 1is6 n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1is6 n THR 28 N 0.31 1.50 -3.56 0.00 5.66 -1.26 -4.48 114.28 112.45 1is6 n THR 28 Ca 0.03 0.03 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 1is6 n THR 28 Cb 0.38 -2.13 -0.04 0.00 -1.55 0.00 0.00 70.33 67.00 1is6 n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1is6 s ARG 29 N -2.33 0.61 0.08 1.09 1.70 -1.26 -0.70 118.95 118.14 1is6 s ARG 29 Ca -0.25 -0.06 -0.08 0.00 -0.47 0.00 0.00 55.73 54.87 1is6 s ARG 29 Cb 0.05 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1is6 s ARG 29 CO 0.49 -0.23 0.18 -0.59 -1.08 0.00 0.00 175.30 174.07 1is6 s PHE 30 N -2.02 0.15 0.11 5.89 -0.71 -0.87 -1.14 117.98 119.39 1is6 s PHE 30 Ca 0.03 -0.56 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 1is6 s PHE 30 Cb -0.01 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1is6 s PHE 30 CO -0.03 -0.52 -0.08 -1.54 -1.34 0.00 0.00 175.22 171.71 1is6 s SER 31 N -2.74 1.32 -0.07 1.98 1.04 -0.32 -0.55 113.70 114.36 1is6 s SER 31 Ca 0.03 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1is6 s SER 31 Cb 0.04 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1is6 s SER 31 CO -0.10 -0.39 -0.16 -0.63 0.98 0.00 0.00 173.24 172.95 1is6 s ILE 32 N -3.22 2.87 -0.04 -1.02 1.01 -0.69 -2.14 121.20 117.96 1is6 s ILE 32 Ca 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1is6 s ILE 32 Cb 0.02 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1is6 s ILE 32 CO -0.02 0.57 -0.04 0.20 0.00 0.00 0.00 174.94 175.64 1is6 s ASN 33 N -0.37 0.88 -0.14 3.58 0.01 -0.02 -0.83 114.94 118.05 1is6 s ASN 33 Ca 0.04 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 1is6 s ASN 33 Cb -0.12 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.12 1is6 s ASN 33 CO 0.02 -0.05 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.68 1is6 s VAL 34 N 0.86 1.86 0.00 1.60 1.01 -0.43 -1.12 120.40 124.19 1is6 s VAL 34 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1is6 s VAL 34 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1is6 s VAL 34 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1is6 n GLY 35 N 4.28 1.70 0.05 4.51 0.00 -0.50 -0.73 105.19 114.50 1is6 n GLY 35 Ca -0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1is6 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1is6 n GLU 36 N 0.00 1.30 -3.82 1.61 1.02 -0.41 -1.25 120.64 119.10 1is6 n GLU 36 Ca 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1is6 n GLU 36 Cb 0.00 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1is6 n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1is6 s SER 37 N -4.71 0.02 0.00 1.62 1.04 -0.95 -4.62 113.70 106.10 1is6 s SER 37 Ca -0.11 -1.12 0.19 0.00 0.48 0.00 0.00 55.95 55.39 1is6 s SER 37 Cb 0.04 0.81 0.88 0.00 0.10 0.00 0.00 66.02 67.85 1is6 s SER 37 CO 0.33 -1.62 1.58 0.35 0.98 0.00 0.00 173.24 174.86 1is6 n THR 38 N -0.56 0.56 -0.48 2.02 -2.24 -1.26 -2.28 114.28 110.04 1is6 n THR 38 Ca -0.08 0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.89 1is6 n THR 38 Cb 0.60 -0.83 0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1is6 n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1is6 n ASP 39 N -1.37 2.59 -3.43 3.42 4.64 -1.26 -4.87 116.55 116.27 1is6 n ASP 39 Ca 0.07 -2.46 -0.21 0.00 -1.38 0.00 0.00 54.79 50.82 1is6 n ASP 39 Cb 0.17 -0.25 -0.11 0.00 -1.04 0.00 0.00 41.12 39.90 1is6 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1is6 s SER 40 N -1.65 2.13 -0.16 1.67 0.15 -0.97 -2.47 113.70 112.40 1is6 s SER 40 Ca 0.20 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1is6 s SER 40 Cb 0.15 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1is6 s SER 40 CO 0.05 -0.38 -0.11 -0.63 1.20 0.00 0.00 173.24 173.37 1is6 s ILE 41 N 2.12 1.45 0.12 6.45 1.01 -0.30 -1.28 121.20 130.77 1is6 s ILE 41 Ca 0.11 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1is6 s ILE 41 Cb -0.15 -1.45 -0.22 0.00 0.01 0.00 0.00 42.46 40.65 1is6 s ILE 41 CO -0.29 0.33 1.26 0.00 0.00 0.00 0.00 174.94 176.24 1is6 h ALA 42 N 8.06 0.31 -2.99 9.38 0.00 -1.18 -0.08 119.26 132.76 1is6 h ALA 42 Ca -0.32 -0.86 -0.48 0.00 0.00 0.00 0.00 54.91 53.24 1is6 h ALA 42 Cb 1.12 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.41 1is6 h ALA 42 CO 0.48 1.10 -0.76 1.41 0.00 0.00 0.00 179.25 181.48 1is6 s MET 43 N -2.79 0.14 -0.23 0.00 -2.45 -0.78 -4.48 119.30 108.71 1is6 s MET 43 Ca -0.01 -0.24 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1is6 s MET 43 Cb 0.09 -1.67 -0.04 0.00 1.25 0.00 0.00 34.83 34.46 1is6 s MET 43 CO 0.84 -0.77 0.10 -1.58 1.05 0.00 0.00 175.02 174.66 1is6 s HIS 44 N 2.10 3.19 -0.30 4.11 2.46 0.21 -1.32 115.29 125.75 1is6 s HIS 44 Ca 0.04 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 55.51 1is6 s HIS 44 Cb -0.16 -2.22 0.08 0.00 -0.13 0.00 0.00 32.58 30.16 1is6 s HIS 44 CO -0.17 -0.11 0.00 1.41 -2.47 0.00 0.00 174.74 173.41 1is6 s MET 45 N 1.17 1.57 -0.10 2.88 -2.45 -0.01 -1.94 119.30 120.43 1is6 s MET 45 Ca 0.05 -1.48 -0.12 0.00 -1.25 0.00 0.00 55.69 52.90 1is6 s MET 45 Cb -0.14 -2.85 -0.05 0.00 1.25 0.00 0.00 34.83 33.04 1is6 s MET 45 CO 0.04 -0.80 0.27 0.34 1.05 0.00 0.00 175.02 175.92 1is6 s ASP 46 N 1.14 6.51 -0.36 1.11 2.15 0.37 -1.71 116.67 125.88 1is6 s ASP 46 Ca 0.03 0.61 -0.04 0.00 0.43 0.00 0.00 52.55 53.58 1is6 s ASP 46 Cb -0.19 -2.16 0.08 0.00 -0.30 0.00 0.00 42.92 40.35 1is6 s ASP 46 CO -0.09 0.27 0.13 -1.00 -0.17 0.00 0.00 175.17 174.31 1is6 s HIS 47 N -0.46 3.42 -0.36 -5.34 3.76 0.29 -1.29 115.29 115.30 1is6 s HIS 47 Ca 0.17 -2.02 -0.10 0.00 -0.15 0.00 0.00 55.06 52.96 1is6 s HIS 47 Cb -0.14 -2.71 0.03 0.00 1.11 0.00 0.00 32.58 30.87 1is6 s HIS 47 CO 0.06 -0.87 0.18 1.03 -0.85 0.00 0.00 174.74 174.29 1is6 s ARG 48 N 1.24 2.84 -0.14 1.40 0.52 -0.48 -2.06 118.95 122.27 1is6 s ARG 48 Ca 0.02 -1.06 -0.23 0.00 -0.52 0.00 0.00 55.73 53.94 1is6 s ARG 48 Cb -0.21 -3.66 -0.25 0.00 0.52 0.00 0.00 34.95 31.35 1is6 s ARG 48 CO -0.02 -0.66 0.55 0.74 0.02 0.00 0.00 175.30 175.93 1is6 h PHE 49 N 8.39 0.16 -1.63 -0.53 -1.00 -1.19 0.16 116.94 121.30 1is6 h PHE 49 Ca -0.26 -0.12 -0.09 0.00 2.81 0.00 0.00 57.97 60.32 1is6 h PHE 49 Cb 1.10 -0.01 -0.27 0.00 3.61 0.00 0.00 35.95 40.39 1is6 h PHE 49 CO 0.58 1.32 -0.43 0.45 -1.61 0.00 0.00 178.31 178.63 1is6 s SER 50 N -6.69 -0.21 -0.26 2.17 0.15 -0.77 -2.92 113.70 105.17 1is6 s SER 50 Ca -0.22 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1is6 s SER 50 Cb 0.02 1.41 0.13 0.00 -1.71 0.00 0.00 66.02 65.86 1is6 s SER 50 CO 0.69 -0.29 0.31 -0.47 1.20 0.00 0.00 173.24 174.68 1is6 s TYR 51 N 2.63 -0.56 0.00 3.44 5.04 0.00 -4.67 117.35 123.24 1is6 s TYR 51 Ca 0.15 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1is6 s TYR 51 Cb -0.15 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.86 1is6 s TYR 51 CO -0.19 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1is6 n GLY 52 N 5.33 3.32 0.15 8.97 0.00 -1.26 -0.51 105.19 121.20 1is6 n GLY 52 Ca -0.03 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1is6 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is6 n ALA 53 N 11.51 3.20 -2.68 4.61 0.00 -1.26 -4.89 120.51 131.01 1is6 n ALA 53 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1is6 n ALA 53 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1is6 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1is6 s ASP 54 N -2.67 6.89 -0.05 0.00 1.01 0.33 -5.04 116.67 117.15 1is6 s ASP 54 Ca 0.20 1.09 -0.01 0.00 0.71 0.00 0.00 52.55 54.54 1is6 s ASP 54 Cb 0.19 -2.41 0.03 0.00 1.01 0.00 0.00 42.92 41.73 1is6 s ASP 54 CO 0.58 -0.29 0.02 -1.10 0.21 0.00 0.00 175.17 174.59 1is6 s GLN 55 N 1.71 0.26 -1.04 8.23 -0.21 -1.26 -0.82 119.66 126.53 1is6 s GLN 55 Ca 0.35 0.19 -0.11 0.00 0.02 0.00 0.00 55.36 55.82 1is6 s GLN 55 Cb -0.17 -0.64 -0.03 0.00 1.00 0.00 0.00 33.01 33.17 1is6 s GLN 55 CO 0.13 -0.25 0.83 0.09 -2.12 0.00 0.00 175.29 173.97 1is6 n ASN 56 N 4.85 -6.21 -3.97 5.90 3.02 0.51 -4.99 115.26 114.37 1is6 n ASN 56 Ca -0.13 -0.77 -0.11 0.00 -0.03 0.00 0.00 54.58 53.55 1is6 n ASN 56 Cb 0.50 -4.36 -0.12 0.00 -0.61 0.00 0.00 39.78 35.20 1is6 n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1is6 s VAL 57 N -3.36 0.19 -0.10 2.41 0.11 -0.95 -4.80 120.40 113.92 1is6 s VAL 57 Ca 0.39 -0.71 -0.12 0.00 -2.93 0.00 0.00 61.98 58.62 1is6 s VAL 57 Cb -0.09 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1is6 s VAL 57 CO 0.80 -0.33 0.27 -0.76 -3.33 0.00 0.00 175.10 171.74 1is6 s LEU 58 N -1.10 4.37 -0.09 2.54 1.43 -0.10 -1.38 118.68 124.35 1is6 s LEU 58 Ca -0.10 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1is6 s LEU 58 Cb -0.07 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1is6 s LEU 58 CO -0.00 0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 176.02 1is6 s VAL 59 N -0.54 1.36 -0.03 -1.59 1.01 -0.41 -1.00 120.40 119.20 1is6 s VAL 59 Ca 0.18 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1is6 s VAL 59 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1is6 s VAL 59 CO 0.07 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1is6 s LEU 60 N 0.78 2.49 0.31 3.92 1.02 0.44 -0.48 118.68 127.17 1is6 s LEU 60 Ca -0.12 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.54 1is6 s LEU 60 Cb -0.16 -1.48 0.06 0.00 0.02 0.00 0.00 46.19 44.63 1is6 s LEU 60 CO 0.02 0.33 0.85 0.21 0.02 0.00 0.00 176.35 177.78 1is6 s ASN 61 N -0.74 -0.04 0.13 2.29 3.84 -0.82 -0.85 114.94 118.76 1is6 s ASN 61 Ca 0.11 -0.93 0.07 0.00 0.21 0.00 0.00 52.86 52.32 1is6 s ASN 61 Cb -0.10 0.73 -0.04 0.00 -0.55 0.00 0.00 41.25 41.29 1is6 s ASN 61 CO 0.00 -1.44 -0.16 -0.94 -2.79 0.00 0.00 177.10 171.77 1is6 s SER 62 N -3.12 2.29 -0.11 -4.21 1.04 -1.26 -0.62 113.70 107.70 1is6 s SER 62 Ca 0.16 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1is6 s SER 62 Cb -0.04 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1is6 s SER 62 CO 0.09 -0.08 -0.17 -0.22 0.98 0.00 0.00 173.24 173.84 1is6 s LEU 63 N -2.41 1.83 -0.15 2.42 2.96 -0.04 -1.86 118.68 121.41 1is6 s LEU 63 Ca 0.10 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1is6 s LEU 63 Cb -0.06 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1is6 s LEU 63 CO 0.04 0.05 0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 1is6 s VAL 64 N 0.85 4.31 0.04 1.68 1.01 -0.61 -1.15 120.40 126.52 1is6 s VAL 64 Ca -0.09 -0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.32 1is6 s VAL 64 Cb -0.15 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 1is6 s VAL 64 CO 0.00 0.50 1.62 1.57 0.00 0.00 0.00 175.10 178.79 1is6 n HIS 65 N 3.31 2.10 -1.28 5.22 -0.00 -1.03 -0.65 115.22 122.89 1is6 n HIS 65 Ca -0.17 0.31 -0.11 0.00 0.46 0.00 0.00 57.72 58.21 1is6 n HIS 65 Cb 0.53 -2.52 -0.05 0.00 -0.12 0.00 0.00 29.99 27.83 1is6 n HIS 65 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1is6 n ASN 66 N 4.22 -5.09 0.03 0.26 4.05 -1.26 -4.72 115.26 112.76 1is6 n ASN 66 Ca 0.20 0.28 0.00 0.00 0.45 0.00 0.00 54.58 55.51 1is6 n ASN 66 Cb 0.25 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.35 1is6 n ASN 66 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1is6 n VAL 67 N -2.06 0.42 0.00 3.44 0.31 -0.15 -5.17 118.33 115.12 1is6 n VAL 67 Ca -0.11 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1is6 n VAL 67 Cb 0.55 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1is6 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1is6 n GLY 68 N 2.88 0.57 3.77 2.92 0.00 0.18 -4.95 105.19 110.57 1is6 n GLY 68 Ca 0.00 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 1is6 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1is6 s TRP 69 N -0.62 2.93 0.00 1.61 0.52 -1.26 -1.57 118.94 120.54 1is6 s TRP 69 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.68 1is6 s TRP 69 Cb 0.00 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 1is6 s TRP 69 CO 0.00 -1.33 0.00 1.04 0.02 0.00 0.00 176.95 176.68 1is6 n GLN 70 N -0.51 3.65 -2.36 4.98 1.13 -0.78 -4.96 117.38 118.54 1is6 n GLN 70 Ca 0.07 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 1is6 n GLN 70 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.81 1is6 n GLN 70 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1is6 s GLN 71 N 3.58 4.34 0.32 -1.09 0.74 -1.26 -4.87 119.66 121.41 1is6 s GLN 71 Ca 0.00 1.81 -0.27 0.00 0.05 0.00 0.00 55.36 56.95 1is6 s GLN 71 Cb 0.00 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 1is6 s GLN 71 CO 0.00 -0.47 1.00 -1.21 -0.55 0.00 0.00 175.29 174.07 1is6 s GLU 72 N 2.08 4.52 0.03 1.67 2.02 -1.26 -4.71 118.70 123.04 1is6 s GLU 72 Ca 0.59 1.50 0.07 0.00 0.02 0.00 0.00 54.97 57.15 1is6 s GLU 72 Cb -0.28 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 1is6 s GLU 72 CO 0.25 0.19 -0.21 -1.21 0.02 0.00 0.00 175.26 174.30 1is6 s GLU 73 N -1.93 2.05 0.18 1.61 2.02 -0.03 -4.97 118.70 117.63 1is6 s GLU 73 Ca 0.50 -0.98 0.10 0.00 0.02 0.00 0.00 54.97 54.61 1is6 s GLU 73 Cb -0.23 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1is6 s GLU 73 CO 0.29 0.54 -0.22 1.03 0.02 0.00 0.00 175.26 176.93 1is6 s ARG 74 N -1.23 1.42 0.01 1.61 0.52 -1.26 -0.42 118.95 119.59 1is6 s ARG 74 Ca 0.13 -1.47 0.01 0.00 -0.52 0.00 0.00 55.73 53.88 1is6 s ARG 74 Cb -0.10 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1is6 s ARG 74 CO 0.03 0.35 -0.03 0.45 0.02 0.00 0.00 175.30 176.12 1is6 s SER 75 N -2.65 0.37 0.00 0.23 0.15 -0.17 -5.00 113.70 106.63 1is6 s SER 75 Ca 0.18 -0.18 0.27 0.00 0.70 0.00 0.00 55.95 56.92 1is6 s SER 75 Cb -0.07 -0.01 0.80 0.00 -1.71 0.00 0.00 66.02 65.03 1is6 s SER 75 CO 0.09 -0.04 1.59 2.29 1.20 0.00 0.00 173.24 178.36 1is6 n LYS 76 N 2.61 1.01 -2.25 5.44 0.00 -1.26 -0.93 118.16 122.78 1is6 n LYS 76 Ca -0.15 -0.60 -0.43 0.00 -0.00 0.00 0.00 58.31 57.13 1is6 n LYS 76 Cb 0.58 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 34.10 1is6 n LYS 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1is6 s LYS 77 N -2.40 3.83 -0.43 -1.58 1.02 -1.26 -4.92 119.74 113.99 1is6 s LYS 77 Ca 0.27 1.45 0.06 0.00 0.02 0.00 0.00 55.97 57.77 1is6 s LYS 77 Cb 0.20 -3.97 0.22 0.00 -0.52 0.00 0.00 37.83 33.75 1is6 s LYS 77 CO 0.48 -1.25 0.57 0.34 -0.92 0.00 0.00 175.35 174.58 1is6 n PHE 78 N 8.16 -1.52 -1.40 3.18 -0.00 -1.26 -4.57 117.46 120.05 1is6 n PHE 78 Ca 0.17 -2.88 -0.26 0.00 -0.00 0.00 0.00 57.45 54.48 1is6 n PHE 78 Cb 0.46 0.41 -0.08 0.00 -0.00 0.00 0.00 39.48 40.26 1is6 n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1is6 n PRO 79 N 2.01 2.83 -4.92 -7.13 -0.04 -1.26 -4.90 135.00 121.59 1is6 n PRO 79 Ca 0.21 -2.09 -0.27 0.00 -0.04 0.00 0.00 63.50 61.30 1is6 n PRO 79 Cb 0.54 -2.27 -0.15 0.00 -0.04 0.00 0.00 33.50 31.58 1is6 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1is6 s PHE 80 N -0.22 1.93 -0.03 0.54 0.08 -1.26 -4.88 117.98 114.14 1is6 s PHE 80 Ca 0.62 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.33 1is6 s PHE 80 Cb 0.30 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1is6 s PHE 80 CO -0.11 0.02 -0.11 0.99 -0.10 0.00 0.00 175.22 175.91 1is6 s THR 81 N -0.63 0.95 0.34 0.64 2.01 -1.26 -5.11 115.64 112.58 1is6 s THR 81 Ca 0.08 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1is6 s THR 81 Cb -0.09 -0.83 -0.11 0.00 0.01 0.00 0.00 72.50 71.48 1is6 s THR 81 CO 0.00 0.29 1.55 -0.54 -0.69 0.00 0.00 174.62 175.23 1is6 s LYS 82 N 0.14 4.11 0.00 4.92 1.02 -1.26 -1.76 119.74 126.90 1is6 s LYS 82 Ca -0.03 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.55 1is6 s LYS 82 Cb -0.09 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1is6 s LYS 82 CO 0.01 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1is6 n GLY 83 N 1.33 1.88 3.77 -3.33 0.00 0.29 -4.80 105.19 104.32 1is6 n GLY 83 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1is6 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1is6 s ASP 84 N -3.16 4.72 0.71 1.61 -0.00 -0.73 -4.75 116.67 115.08 1is6 s ASP 84 Ca 0.00 -0.83 -0.11 0.00 -0.00 0.00 0.00 52.55 51.60 1is6 s ASP 84 Cb 0.00 -0.65 0.02 0.00 -0.00 0.00 0.00 42.92 42.29 1is6 s ASP 84 CO 0.00 -0.44 1.07 -1.00 -0.00 0.00 0.00 175.17 174.81 1is6 s HIS 85 N -2.47 2.89 0.12 4.23 3.76 -1.26 -1.13 115.29 121.43 1is6 s HIS 85 Ca 0.41 1.48 -0.10 0.00 -0.15 0.00 0.00 55.06 56.71 1is6 s HIS 85 Cb -0.01 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.71 1is6 s HIS 85 CO 0.24 -1.44 0.25 -0.59 -0.85 0.00 0.00 174.74 172.35 1is6 s PHE 86 N -2.89 0.20 -0.08 1.40 -0.71 -0.32 -4.83 117.98 110.74 1is6 s PHE 86 Ca 0.60 -0.59 -0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1is6 s PHE 86 Cb -0.16 -0.01 0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1is6 s PHE 86 CO 0.53 -0.63 0.18 -1.14 -1.34 0.00 0.00 175.22 172.82 1is6 s GLN 87 N -3.89 0.16 -0.01 1.99 0.74 -1.26 -1.86 119.66 115.52 1is6 s GLN 87 Ca 0.09 0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.90 1is6 s GLN 87 Cb 0.04 -0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.07 1is6 s GLN 87 CO -0.07 -0.13 -0.03 0.99 -0.55 0.00 0.00 175.29 175.50 1is6 s THR 88 N 0.91 0.31 -0.06 -0.34 2.01 -0.85 -2.28 115.64 115.33 1is6 s THR 88 Ca -0.07 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.87 1is6 s THR 88 Cb -0.08 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1is6 s THR 88 CO -0.05 0.11 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.85 1is6 s THR 89 N 0.17 2.07 -0.03 -0.82 2.01 -0.79 -1.54 115.64 116.71 1is6 s THR 89 Ca -0.02 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.97 1is6 s THR 89 Cb -0.05 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 1is6 s THR 89 CO -0.00 0.57 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.71 1is6 s ILE 90 N -0.16 1.31 0.24 1.82 1.01 -0.09 -0.31 121.20 125.03 1is6 s ILE 90 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1is6 s ILE 90 Cb -0.14 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1is6 s ILE 90 CO 0.04 0.38 0.11 -0.89 0.00 0.00 0.00 174.94 174.57 1is6 s THR 91 N -0.11 0.35 0.10 2.92 2.01 -0.56 -1.66 115.64 118.68 1is6 s THR 91 Ca 0.00 -2.00 -0.20 0.00 0.31 0.00 0.00 61.69 59.81 1is6 s THR 91 Cb -0.09 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 69.89 1is6 s THR 91 CO 0.01 -0.01 0.48 0.72 -0.69 0.00 0.00 174.62 175.13 1is6 s PHE 92 N -3.90 -0.34 0.00 4.92 -0.71 -1.26 -0.44 117.98 116.25 1is6 s PHE 92 Ca 0.38 0.20 0.00 0.00 -1.04 0.00 0.00 56.93 56.47 1is6 s PHE 92 Cb 0.08 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1is6 s PHE 92 CO 0.13 -0.69 0.00 -0.40 -1.34 0.00 0.00 175.22 172.91 1is6 n ASP 93 N 0.03 1.87 0.00 1.98 3.85 -0.32 -3.75 116.55 120.21 1is6 n ASP 93 Ca -0.17 -0.33 0.13 0.00 -0.71 0.00 0.00 54.79 53.71 1is6 n ASP 93 Cb 0.62 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 41.08 1is6 n ASP 93 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1is6 n THR 94 N 0.00 0.11 -0.03 2.12 -2.24 -1.26 -3.38 114.28 109.60 1is6 n THR 94 Ca 0.00 0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1is6 n THR 94 Cb 0.00 -0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 1is6 n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1is6 n HIS 95 N -1.29 0.00 -3.79 4.78 8.25 -1.26 -4.24 115.22 117.67 1is6 n HIS 95 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.46 1is6 n HIS 95 Cb 0.22 -0.40 -0.12 0.00 1.12 0.00 0.00 29.99 30.80 1is6 n HIS 95 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1is6 s THR 96 N -2.51 -0.01 -0.16 1.59 2.01 -1.22 -1.03 115.64 114.31 1is6 s THR 96 Ca -0.05 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 1is6 s THR 96 Cb 0.05 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1is6 s THR 96 CO 0.46 0.02 0.45 -0.36 -0.69 0.00 0.00 174.62 174.49 1is6 s PHE 97 N 0.38 3.45 -0.30 4.92 0.08 0.10 -1.17 117.98 125.43 1is6 s PHE 97 Ca -0.02 0.77 -0.07 0.00 0.12 0.00 0.00 56.93 57.73 1is6 s PHE 97 Cb -0.04 -2.55 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1is6 s PHE 97 CO -0.02 0.08 0.09 0.71 -0.10 0.00 0.00 175.22 175.99 1is6 s TYR 98 N 0.96 3.17 -0.10 0.36 1.51 0.42 -1.65 117.35 122.02 1is6 s TYR 98 Ca 0.23 -1.03 -0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1is6 s TYR 98 Cb -0.15 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 1is6 s TYR 98 CO 0.09 -0.60 -0.08 0.42 -1.11 0.00 0.00 175.55 174.27 1is6 s ILE 99 N 1.49 3.53 -0.11 2.71 1.01 -0.25 -1.50 121.20 128.08 1is6 s ILE 99 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1is6 s ILE 99 Cb -0.18 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1is6 s ILE 99 CO 0.03 0.56 -0.21 -1.58 0.00 0.00 0.00 174.94 173.74 1is6 s GLN 100 N -0.29 2.76 0.78 2.79 0.74 0.58 -1.47 119.66 125.55 1is6 s GLN 100 Ca 0.04 -0.77 -0.07 0.00 0.05 0.00 0.00 55.36 54.60 1is6 s GLN 100 Cb -0.13 -2.16 0.12 0.00 1.10 0.00 0.00 33.01 31.94 1is6 s GLN 100 CO 0.03 0.08 1.09 -0.51 -0.55 0.00 0.00 175.29 175.43 1is6 s LEU 101 N 0.58 2.84 0.28 3.68 1.43 0.29 -1.89 118.68 125.89 1is6 s LEU 101 Ca -0.14 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1is6 s LEU 101 Cb -0.17 -2.55 0.58 0.00 0.03 0.00 0.00 46.19 44.08 1is6 s LEU 101 CO 0.04 -1.99 1.79 0.28 0.23 0.00 0.00 176.35 176.70 1is6 h SER 102 N -0.86 0.71 -0.30 2.29 0.02 -1.77 -1.56 113.55 112.07 1is6 h SER 102 Ca -0.42 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1is6 h SER 102 Cb 1.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1is6 h SER 102 CO 0.48 0.31 0.00 -0.46 -1.14 0.00 0.00 176.83 176.02 1is6 n ASN 103 N -4.77 1.89 0.00 3.07 6.94 -1.26 -4.91 115.26 116.21 1is6 n ASN 103 Ca 0.19 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1is6 n ASN 103 Cb 0.44 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1is6 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1is6 n GLY 104 N 1.11 2.09 3.76 4.83 0.00 -0.59 -5.05 105.19 111.34 1is6 n GLY 104 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1is6 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1is6 s GLU 105 N -0.79 2.76 0.19 1.61 2.02 -1.26 -4.70 118.70 118.53 1is6 s GLU 105 Ca 0.00 1.54 0.09 0.00 0.02 0.00 0.00 54.97 56.62 1is6 s GLU 105 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1is6 s GLU 105 CO 0.00 -1.31 -0.19 0.95 0.02 0.00 0.00 175.26 174.73 1is6 s THR 106 N -2.11 2.01 0.01 3.63 -4.23 -1.26 -0.54 115.64 113.14 1is6 s THR 106 Ca 0.70 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1is6 s THR 106 Cb -0.24 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 1is6 s THR 106 CO 0.39 -0.30 -0.05 0.54 -0.54 0.00 0.00 174.62 174.65 1is6 s VAL 107 N -2.09 0.39 0.11 2.29 0.11 -0.54 -4.99 120.40 115.68 1is6 s VAL 107 Ca 0.19 -0.45 0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1is6 s VAL 107 Cb -0.06 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1is6 s VAL 107 CO 0.08 -0.05 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.99 1is6 s GLU 108 N -0.54 1.69 -0.10 1.54 8.01 -1.26 -1.09 118.70 126.95 1is6 s GLU 108 Ca -0.02 -1.21 -0.07 0.00 0.01 0.00 0.00 54.97 53.68 1is6 s GLU 108 Cb -0.04 -2.05 0.04 0.00 -4.31 0.00 0.00 34.13 27.76 1is6 s GLU 108 CO -0.00 0.48 0.24 0.12 0.01 0.00 0.00 175.26 176.10 1is6 s PHE 109 N -1.09 -0.29 0.40 1.61 5.36 -0.66 -4.97 117.98 118.34 1is6 s PHE 109 Ca 0.16 0.71 -0.26 0.00 -0.96 0.00 0.00 56.93 56.58 1is6 s PHE 109 Cb -0.10 0.07 -0.10 0.00 -0.34 0.00 0.00 43.02 42.54 1is6 s PHE 109 CO 0.08 -0.18 1.33 -0.35 -1.46 0.00 0.00 175.22 174.64 1is6 n PRO 110 N 3.63 2.13 -2.84 10.12 -0.04 -1.26 0.03 135.00 146.77 1is6 n PRO 110 Ca -0.19 0.75 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 1is6 n PRO 110 Cb 0.55 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 1is6 n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1is6 s ASN 111 N -0.42 6.73 0.47 3.54 3.04 -0.20 -4.68 114.94 123.42 1is6 s ASN 111 Ca 0.59 -2.20 0.14 0.00 0.04 0.00 0.00 52.86 51.43 1is6 s ASN 111 Cb -0.51 -2.45 1.07 0.00 -1.54 0.00 0.00 41.25 37.83 1is6 s ASN 111 CO 0.60 -1.08 2.05 0.03 -3.04 0.00 0.00 177.10 175.66 1is6 h ARG 112 N 8.50 0.07 -0.01 0.43 3.08 -1.87 -2.50 114.38 122.08 1is6 h ARG 112 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1is6 h ARG 112 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1is6 h ARG 112 CO 1.23 0.15 -0.32 0.09 -1.07 0.00 0.00 179.97 180.05 1is6 n ASN 113 N -4.41 1.45 -3.79 7.04 5.03 -1.26 -4.97 115.26 114.35 1is6 n ASN 113 Ca -0.02 -1.17 -0.28 0.00 0.87 0.00 0.00 54.58 53.99 1is6 n ASN 113 Cb 0.17 0.25 0.05 0.00 -1.02 0.00 0.00 39.78 39.23 1is6 n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1is6 n LYS 114 N -0.34 -6.47 -2.71 3.52 5.02 -0.94 -4.98 118.16 111.25 1is6 n LYS 114 Ca 0.12 0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 56.76 1is6 n LYS 114 Cb 0.40 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.71 1is6 n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1is6 s ASP 115 N -3.35 6.75 0.00 4.39 -0.00 -1.26 -4.97 116.67 118.23 1is6 s ASP 115 Ca 0.61 1.79 0.11 0.00 -0.00 0.00 0.00 52.55 55.07 1is6 s ASP 115 Cb -0.29 -2.55 -0.07 0.00 -0.00 0.00 0.00 42.92 40.00 1is6 s ASP 115 CO 0.79 -0.50 0.55 0.00 -0.00 0.00 0.00 175.17 176.02 1is6 n ALA 116 N -0.67 3.21 -3.22 5.23 0.00 -1.26 -4.71 120.51 119.08 1is6 n ALA 116 Ca 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1is6 n ALA 116 Cb 0.53 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1is6 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1is6 s ALA 117 N -1.80 -1.09 -0.01 0.00 0.00 -1.26 -1.88 121.76 115.72 1is6 s ALA 117 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1is6 s ALA 117 Cb 0.09 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1is6 s ALA 117 CO 0.38 -0.43 0.00 -0.06 0.00 0.00 0.00 175.76 175.65 1is6 s PHE 118 N -2.19 0.11 -2.08 0.00 0.08 -0.28 -4.94 117.98 108.68 1is6 s PHE 118 Ca -0.07 0.02 0.19 0.00 0.12 0.00 0.00 56.93 57.20 1is6 s PHE 118 Cb -0.01 -0.15 0.34 0.00 -0.57 0.00 0.00 43.02 42.63 1is6 s PHE 118 CO -0.00 -0.04 1.28 0.09 -0.10 0.00 0.00 175.22 176.45 1is6 n ASN 119 N 3.48 3.13 -3.73 1.36 4.13 -0.92 -0.51 115.26 122.20 1is6 n ASN 119 Ca -0.18 -1.91 -0.13 0.00 1.68 0.00 0.00 54.58 54.04 1is6 n ASN 119 Cb 0.56 -0.20 -0.14 0.00 -1.54 0.00 0.00 39.78 38.46 1is6 n ASN 119 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1is6 s LEU 120 N -1.34 0.55 -0.11 3.41 2.96 -0.38 -0.94 118.68 122.84 1is6 s LEU 120 Ca 0.32 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1is6 s LEU 120 Cb 0.19 0.47 0.01 0.00 0.50 0.00 0.00 46.19 47.36 1is6 s LEU 120 CO 0.26 -0.16 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.33 1is6 s ILE 121 N 1.30 1.65 0.07 6.68 1.09 -0.34 -1.41 121.20 130.25 1is6 s ILE 121 Ca -0.08 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 58.63 1is6 s ILE 121 Cb -0.11 -1.48 0.00 0.00 -1.06 0.00 0.00 42.46 39.81 1is6 s ILE 121 CO -0.07 0.47 0.21 -0.72 -0.10 0.00 0.00 174.94 174.73 1is6 s TYR 122 N 0.82 0.09 -0.08 3.97 -0.85 -0.28 -1.33 117.35 119.69 1is6 s TYR 122 Ca -0.09 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.04 1is6 s TYR 122 Cb -0.16 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 1is6 s TYR 122 CO 0.01 -0.50 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.32 1is6 s LEU 123 N -2.50 3.29 0.09 -3.49 0.20 -0.63 -0.84 118.68 114.80 1is6 s LEU 123 Ca 0.00 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.86 1is6 s LEU 123 Cb 0.02 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1is6 s LEU 123 CO -0.08 0.36 -0.06 0.00 -0.29 0.00 0.00 176.35 176.28 1is6 s ALA 124 N -0.78 0.91 0.00 5.97 0.00 -0.91 -2.88 121.76 124.08 1is6 s ALA 124 Ca 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1is6 s ALA 124 Cb -0.11 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1is6 s ALA 124 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1is6 n GLY 125 N 0.05 -0.98 2.52 0.00 0.00 -1.26 -1.17 105.19 104.34 1is6 n GLY 125 Ca -0.13 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1is6 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1is6 n ASP 126 N 0.12 7.82 -3.49 1.61 10.43 -0.29 -4.83 116.55 127.92 1is6 n ASP 126 Ca 0.00 -3.18 -0.08 0.00 2.57 0.00 0.00 54.79 54.10 1is6 n ASP 126 Cb 0.00 -1.36 -0.01 0.00 1.84 0.00 0.00 41.12 41.60 1is6 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1is6 s ALA 127 N -1.27 -0.86 0.04 2.24 0.00 -1.26 -1.39 121.76 119.25 1is6 s ALA 127 Ca 0.52 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1is6 s ALA 127 Cb 0.18 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1is6 s ALA 127 CO -0.09 -0.99 0.00 -0.98 0.00 0.00 0.00 175.76 173.70 1is6 s ARG 128 N -3.28 0.49 -0.00 0.00 1.70 -0.77 -4.93 118.95 112.16 1is6 s ARG 128 Ca 0.15 -0.88 -0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1is6 s ARG 128 Cb -0.05 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1is6 s ARG 128 CO 0.09 -0.10 0.15 -0.51 -1.08 0.00 0.00 175.30 173.86 1is6 s LEU 129 N -2.17 4.22 -0.01 -1.89 1.43 -1.26 -1.68 118.68 117.32 1is6 s LEU 129 Ca -0.05 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1is6 s LEU 129 Cb -0.01 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1is6 s LEU 129 CO -0.05 0.26 0.05 0.35 0.23 0.00 0.00 176.35 177.19 1is6 n THR 130 N 0.97 0.03 -3.74 5.49 -2.24 0.51 -4.91 114.28 110.40 1is6 n THR 130 Ca -0.11 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 1is6 n THR 130 Cb 0.52 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1is6 n THR 130 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1is6 s PHE 131 N -2.16 -0.10 -0.15 4.78 -0.71 -1.17 -4.99 117.98 113.48 1is6 s PHE 131 Ca -0.01 -0.24 -0.16 0.00 -1.04 0.00 0.00 56.93 55.49 1is6 s PHE 131 Cb 0.02 0.35 0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1is6 s PHE 131 CO 0.11 -0.88 0.43 0.54 -1.34 0.00 0.00 175.22 174.08 1is6 s VAL 132 N -3.87 0.01 -0.08 -2.49 0.11 -1.26 -2.08 120.40 110.74 1is6 s VAL 132 Ca 0.09 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1is6 s VAL 132 Cb -0.00 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1is6 s VAL 132 CO -0.04 -0.02 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.46 1is6 s ARG 133 N 0.05 1.72 -0.20 1.54 0.52 -0.07 -4.99 118.95 117.52 1is6 s ARG 133 Ca -0.02 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1is6 s ARG 133 Cb -0.03 -1.51 0.06 0.00 0.52 0.00 0.00 34.95 33.99 1is6 s ARG 133 CO 0.01 -0.06 0.03 -1.17 0.02 0.00 0.00 175.30 174.14 1is6 s LEU 134 N 0.96 1.20 0.00 2.53 2.96 -1.26 -1.30 118.68 123.77 1is6 s LEU 134 Ca -0.09 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 1is6 s LEU 134 Cb -0.15 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 45.94 1is6 s LEU 134 CO 0.00 -0.31 0.00 -1.84 -1.32 0.00 0.00 176.35 172.88