#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is4 s ARG 3 N 0.00 2.52 -0.18 0.11 1.70 -1.26 -5.04 118.95 116.79 1is4 s ARG 3 Ca 0.00 -0.97 -0.25 0.00 -0.47 0.00 0.00 55.73 54.05 1is4 s ARG 3 Cb 0.00 -2.55 -0.01 0.00 -0.57 0.00 0.00 34.95 31.82 1is4 s ARG 3 CO 0.00 -0.69 0.82 0.00 -1.08 0.00 0.00 175.30 174.35 1is4 s ALA 4 N -2.70 3.53 0.04 7.88 0.00 -1.22 -4.95 121.76 124.35 1is4 s ALA 4 Ca 0.58 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1is4 s ALA 4 Cb -0.10 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1is4 s ALA 4 CO 0.38 -0.67 -0.14 -1.21 0.00 0.00 0.00 175.76 174.12 1is4 s GLU 5 N 2.19 0.91 -0.17 0.00 2.02 -1.26 -1.43 118.70 120.96 1is4 s GLU 5 Ca 0.37 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1is4 s GLU 5 Cb -0.16 -0.92 0.04 0.00 0.10 0.00 0.00 34.13 33.18 1is4 s GLU 5 CO 0.12 0.22 -0.10 0.08 0.02 0.00 0.00 175.26 175.61 1is4 s VAL 6 N -0.93 1.44 -0.03 2.63 1.01 -0.42 -5.00 120.40 119.11 1is4 s VAL 6 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1is4 s VAL 6 Cb -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1is4 s VAL 6 CO 0.01 0.23 -0.10 -0.60 0.00 0.00 0.00 175.10 174.64 1is4 s ARG 7 N 1.50 1.13 -1.55 2.72 3.52 -1.26 -1.32 118.95 123.70 1is4 s ARG 7 Ca 0.01 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1is4 s ARG 7 Cb -0.15 -1.03 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 1is4 s ARG 7 CO -0.09 0.13 0.08 0.09 -0.81 0.00 0.00 175.30 174.70 1is4 n ASN 8 N 3.29 -5.37 -4.00 -2.12 5.03 -0.04 -4.97 115.26 107.08 1is4 n ASN 8 Ca -0.18 -0.05 -0.31 0.00 0.87 0.00 0.00 54.58 54.91 1is4 n ASN 8 Cb 0.54 -4.40 -0.15 0.00 -1.02 0.00 0.00 39.78 34.75 1is4 n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1is4 s ILE 9 N -2.94 2.31 0.16 2.41 1.01 -1.26 -5.06 121.20 117.81 1is4 s ILE 9 Ca 0.04 -2.54 -0.34 0.00 0.00 0.00 0.00 60.65 57.81 1is4 s ILE 9 Cb -0.02 -2.68 -0.14 0.00 0.01 0.00 0.00 42.46 39.63 1is4 s ILE 9 CO 0.05 -0.65 1.59 -2.65 0.00 0.00 0.00 174.94 173.28 1is4 n PRO 10 N 4.01 2.20 -3.24 2.79 -0.02 -1.26 -4.83 135.00 134.66 1is4 n PRO 10 Ca 0.04 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.88 1is4 n PRO 10 Cb 0.40 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 1is4 n PRO 10 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1is4 s PHE 11 N 0.99 3.12 0.31 6.00 5.36 0.68 -4.90 117.98 129.53 1is4 s PHE 11 Ca 0.79 -0.68 0.09 0.00 -0.96 0.00 0.00 56.93 56.17 1is4 s PHE 11 Cb -0.67 -3.42 -0.05 0.00 -0.34 0.00 0.00 43.02 38.55 1is4 s PHE 11 CO 0.38 -0.95 0.05 0.15 -1.46 0.00 0.00 175.22 173.38 1is4 s LYS 12 N 2.29 2.27 -0.27 10.12 1.02 -1.26 -0.89 119.74 133.02 1is4 s LYS 12 Ca 0.11 -1.54 -0.41 0.00 0.02 0.00 0.00 55.97 54.14 1is4 s LYS 12 Cb -0.21 -2.11 -0.17 0.00 -0.52 0.00 0.00 37.83 34.82 1is4 s LYS 12 CO 0.10 0.22 1.62 -0.11 -0.92 0.00 0.00 175.35 176.26 1is4 n LEU 13 N -1.00 1.87 0.00 3.17 7.94 -0.82 -1.47 117.00 126.70 1is4 n LEU 13 Ca -0.05 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1is4 n LEU 13 Cb 0.61 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1is4 n LEU 13 CO 0.42 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.62 1is4 n GLY 14 N 3.79 1.94 3.91 -3.96 0.00 -1.24 -5.06 105.19 104.57 1is4 n GLY 14 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1is4 n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1is4 s MET 15 N -0.97 3.29 -0.01 1.61 -1.94 -0.54 -5.04 119.30 115.70 1is4 s MET 15 Ca 0.00 0.06 0.08 0.00 -1.71 0.00 0.00 55.69 54.12 1is4 s MET 15 Cb 0.00 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 1is4 s MET 15 CO 0.00 -0.37 -0.25 0.71 -0.01 0.00 0.00 175.02 175.10 1is4 s TYR 16 N -2.80 2.37 -0.16 -0.03 1.51 -1.26 -4.56 117.35 112.41 1is4 s TYR 16 Ca 0.50 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.16 1is4 s TYR 16 Cb -0.10 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1is4 s TYR 16 CO 0.44 0.02 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.57 1is4 s LEU 17 N -0.75 2.39 -0.12 -1.29 2.96 -0.57 -2.14 118.68 119.15 1is4 s LEU 17 Ca 0.11 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1is4 s LEU 17 Cb -0.10 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1is4 s LEU 17 CO -0.00 0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.99 1is4 s THR 18 N 0.99 1.87 0.07 3.68 2.01 -0.44 -0.51 115.64 123.30 1is4 s THR 18 Ca -0.02 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.19 1is4 s THR 18 Cb -0.15 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1is4 s THR 18 CO -0.03 0.51 -0.23 0.68 -0.69 0.00 0.00 174.62 174.86 1is4 s VAL 19 N 0.82 1.86 0.10 3.82 -7.23 -0.28 -0.93 120.40 118.56 1is4 s VAL 19 Ca -0.08 -1.41 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1is4 s VAL 19 Cb -0.16 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1is4 s VAL 19 CO -0.01 0.15 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.96 1is4 s GLY 20 N -1.50 1.00 0.00 2.32 0.00 -0.80 -1.63 107.32 106.71 1is4 s GLY 20 Ca 0.09 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1is4 s GLY 20 CO 0.03 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.53 1is4 n GLY 21 N 0.87 2.07 2.87 0.20 0.00 -0.72 -0.61 105.19 109.86 1is4 n GLY 21 Ca -0.18 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1is4 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1is4 s VAL 22 N -2.68 0.35 0.13 1.61 1.01 -0.67 -1.51 120.40 118.64 1is4 s VAL 22 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1is4 s VAL 22 Cb 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1is4 s VAL 22 CO 0.00 0.17 0.99 -0.69 0.00 0.00 0.00 175.10 175.57 1is4 s VAL 23 N 0.77 4.37 0.74 2.92 1.01 -0.21 -1.52 120.40 128.48 1is4 s VAL 23 Ca -0.09 1.98 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 1is4 s VAL 23 Cb -0.12 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1is4 s VAL 23 CO -0.01 0.31 1.17 0.20 0.00 0.00 0.00 175.10 176.78 1is4 s ASN 24 N -0.04 4.27 0.52 3.32 0.02 -0.46 -0.90 114.94 121.66 1is4 s ASN 24 Ca 0.47 2.22 -0.21 0.00 -1.02 0.00 0.00 52.86 54.32 1is4 s ASN 24 Cb -0.25 -2.57 -0.06 0.00 0.02 0.00 0.00 41.25 38.39 1is4 s ASN 24 CO 0.31 -2.21 1.15 -0.44 0.02 0.00 0.00 177.10 175.93 1is4 s SER 25 N -2.33 5.85 -1.91 -1.22 0.01 -1.26 -3.04 113.70 109.80 1is4 s SER 25 Ca 0.71 2.23 0.00 0.00 1.31 0.00 0.00 55.95 60.20 1is4 s SER 25 Cb -0.26 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1is4 s SER 25 CO 0.47 -1.13 0.00 0.59 0.41 0.00 0.00 173.24 173.57 1is4 n ASN 26 N -1.04 -5.27 -4.76 2.44 3.02 -1.26 -4.93 115.26 103.46 1is4 n ASN 26 Ca 0.10 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.62 1is4 n ASN 26 Cb 0.50 -4.40 -0.01 0.00 -0.61 0.00 0.00 39.78 35.26 1is4 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1is4 s ALA 27 N -2.73 3.65 -0.16 5.41 0.00 -1.18 -4.94 121.76 121.80 1is4 s ALA 27 Ca 0.00 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 1is4 s ALA 27 Cb 0.00 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1is4 s ALA 27 CO 0.00 -0.97 0.07 1.15 0.00 0.00 0.00 175.76 176.00 1is4 h THR 28 N 3.21 0.50 -1.97 0.00 2.02 -1.89 -3.40 112.91 111.38 1is4 h THR 28 Ca -0.49 -1.57 0.16 0.00 0.77 0.00 0.00 66.41 65.29 1is4 h THR 28 Cb 1.23 1.14 -0.17 0.00 -1.74 0.00 0.00 68.15 68.61 1is4 h THR 28 CO 0.72 0.17 0.62 0.00 0.37 0.00 0.00 175.52 177.40 1is4 s ARG 29 N -2.22 0.62 0.09 6.66 1.70 -1.26 -1.12 118.95 123.42 1is4 s ARG 29 Ca -0.19 -0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 54.72 1is4 s ARG 29 Cb 0.03 0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1is4 s ARG 29 CO 0.38 -0.27 0.27 -0.59 -1.08 0.00 0.00 175.30 174.01 1is4 s PHE 30 N -2.85 -0.00 0.07 5.89 -0.71 -1.02 -0.79 117.98 118.57 1is4 s PHE 30 Ca 0.07 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1is4 s PHE 30 Cb -0.01 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1is4 s PHE 30 CO -0.07 -0.58 -0.05 -1.54 -1.34 0.00 0.00 175.22 171.63 1is4 s SER 31 N -2.69 0.86 -0.13 1.98 1.04 -0.20 -0.25 113.70 114.30 1is4 s SER 31 Ca 0.02 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.51 1is4 s SER 31 Cb 0.03 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1is4 s SER 31 CO -0.10 -0.48 -0.12 -0.63 0.98 0.00 0.00 173.24 172.89 1is4 s ILE 32 N -3.42 3.14 -0.06 -1.02 1.01 -0.77 -2.13 121.20 117.95 1is4 s ILE 32 Ca 0.07 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1is4 s ILE 32 Cb 0.04 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1is4 s ILE 32 CO -0.06 0.53 -0.16 0.20 0.00 0.00 0.00 174.94 175.45 1is4 s ASN 33 N 0.29 2.11 -0.10 3.58 0.01 -0.22 -1.25 114.94 119.35 1is4 s ASN 33 Ca -0.09 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1is4 s ASN 33 Cb -0.15 -0.78 0.01 0.00 0.41 0.00 0.00 41.25 40.74 1is4 s ASN 33 CO 0.05 0.11 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.89 1is4 s VAL 34 N 0.31 1.62 0.00 1.60 1.01 -0.29 -1.58 120.40 123.06 1is4 s VAL 34 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1is4 s VAL 34 Cb -0.14 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1is4 s VAL 34 CO 0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1is4 n GLY 35 N 3.95 1.62 0.03 4.51 0.00 -0.57 -0.55 105.19 114.18 1is4 n GLY 35 Ca -0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1is4 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1is4 n GLU 36 N 0.00 1.40 -3.75 1.61 1.02 0.04 -1.82 120.64 119.14 1is4 n GLU 36 Ca 0.00 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 1is4 n GLU 36 Cb 0.00 -1.12 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1is4 n GLU 36 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1is4 n SER 37 N -2.48 -2.25 0.00 1.62 3.41 -0.74 -4.58 113.62 108.60 1is4 n SER 37 Ca -0.10 -2.59 0.09 0.00 -0.26 0.00 0.00 58.87 56.01 1is4 n SER 37 Cb 0.63 3.75 0.40 0.00 -0.26 0.00 0.00 64.21 68.74 1is4 n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1is4 n THR 38 N -0.53 0.71 -0.14 6.66 -2.24 -1.26 -2.42 114.28 115.07 1is4 n THR 38 Ca -0.08 0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1is4 n THR 38 Cb 0.59 -0.86 0.16 0.00 -2.10 0.00 0.00 70.33 68.12 1is4 n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1is4 n ASP 39 N -1.50 2.95 -3.41 3.42 4.64 -1.26 -4.83 116.55 116.56 1is4 n ASP 39 Ca 0.05 -1.96 -0.19 0.00 -1.38 0.00 0.00 54.79 51.31 1is4 n ASP 39 Cb 0.22 -0.24 -0.10 0.00 -1.04 0.00 0.00 41.12 39.96 1is4 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1is4 s SER 40 N -1.00 1.84 -0.13 1.67 0.15 -1.02 -2.62 113.70 112.59 1is4 s SER 40 Ca 0.25 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.99 1is4 s SER 40 Cb 0.13 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1is4 s SER 40 CO 0.17 -0.38 -0.13 -0.63 1.20 0.00 0.00 173.24 173.47 1is4 s ILE 41 N 2.22 1.42 0.04 6.45 1.01 -0.60 -0.78 121.20 130.95 1is4 s ILE 41 Ca 0.10 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1is4 s ILE 41 Cb -0.14 -1.33 -0.24 0.00 0.01 0.00 0.00 42.46 40.75 1is4 s ILE 41 CO -0.30 0.43 0.99 0.00 0.00 0.00 0.00 174.94 176.07 1is4 h ALA 42 N 7.84 0.42 -3.15 9.38 0.00 -1.08 0.06 119.26 132.73 1is4 h ALA 42 Ca -0.34 -1.11 -0.50 0.00 0.00 0.00 0.00 54.91 52.96 1is4 h ALA 42 Cb 1.15 0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 1is4 h ALA 42 CO 0.49 1.29 -0.76 1.41 0.00 0.00 0.00 179.25 181.68 1is4 s MET 43 N -2.65 0.43 -0.25 0.00 -2.45 -0.91 -4.47 119.30 108.99 1is4 s MET 43 Ca -0.04 -0.37 -0.09 0.00 -1.25 0.00 0.00 55.69 53.95 1is4 s MET 43 Cb 0.08 -1.93 -0.04 0.00 1.25 0.00 0.00 34.83 34.19 1is4 s MET 43 CO 0.83 -0.71 0.12 -1.58 1.05 0.00 0.00 175.02 174.74 1is4 s HIS 44 N 1.95 3.16 -0.30 4.11 2.46 0.16 -1.14 115.29 125.71 1is4 s HIS 44 Ca 0.02 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.45 1is4 s HIS 44 Cb -0.17 -2.28 0.08 0.00 -0.13 0.00 0.00 32.58 30.08 1is4 s HIS 44 CO -0.12 -0.21 -0.04 1.41 -2.47 0.00 0.00 174.74 173.31 1is4 s MET 45 N 1.53 1.89 -0.13 2.88 -2.45 -0.38 -1.62 119.30 121.01 1is4 s MET 45 Ca 0.06 -1.58 -0.07 0.00 -1.25 0.00 0.00 55.69 52.84 1is4 s MET 45 Cb -0.15 -3.03 -0.04 0.00 1.25 0.00 0.00 34.83 32.86 1is4 s MET 45 CO 0.06 -0.74 0.14 0.34 1.05 0.00 0.00 175.02 175.87 1is4 s ASP 46 N 1.01 6.36 -0.31 1.11 2.15 0.33 -1.85 116.67 125.47 1is4 s ASP 46 Ca 0.00 0.43 -0.02 0.00 0.43 0.00 0.00 52.55 53.39 1is4 s ASP 46 Cb -0.20 -2.07 0.06 0.00 -0.30 0.00 0.00 42.92 40.41 1is4 s ASP 46 CO -0.06 0.37 0.02 -1.00 -0.17 0.00 0.00 175.17 174.33 1is4 s HIS 47 N -0.80 3.32 -0.35 -5.34 3.76 0.65 -1.61 115.29 114.91 1is4 s HIS 47 Ca 0.14 -1.97 -0.09 0.00 -0.15 0.00 0.00 55.06 52.99 1is4 s HIS 47 Cb -0.12 -2.26 0.03 0.00 1.11 0.00 0.00 32.58 31.34 1is4 s HIS 47 CO 0.03 -0.83 0.15 1.03 -0.85 0.00 0.00 174.74 174.27 1is4 s ARG 48 N 1.23 2.78 -0.16 1.40 0.52 -0.18 -2.44 118.95 122.09 1is4 s ARG 48 Ca -0.03 -1.09 -0.24 0.00 -0.52 0.00 0.00 55.73 53.85 1is4 s ARG 48 Cb -0.20 -3.58 -0.21 0.00 0.52 0.00 0.00 34.95 31.48 1is4 s ARG 48 CO -0.02 -0.65 0.49 0.74 0.02 0.00 0.00 175.30 175.88 1is4 h PHE 49 N 8.32 0.00 -1.87 -0.53 -1.00 -1.39 0.29 116.94 120.77 1is4 h PHE 49 Ca -0.25 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.38 1is4 h PHE 49 Cb 1.10 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 40.36 1is4 h PHE 49 CO 0.59 1.04 -0.47 0.45 -1.61 0.00 0.00 178.31 178.30 1is4 s SER 50 N -6.35 0.20 -0.21 2.17 0.15 -0.76 -3.05 113.70 105.84 1is4 s SER 50 Ca -0.20 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 1is4 s SER 50 Cb 0.00 1.15 0.10 0.00 -1.71 0.00 0.00 66.02 65.56 1is4 s SER 50 CO 0.58 -0.30 0.22 -0.47 1.20 0.00 0.00 173.24 174.48 1is4 s TYR 51 N 2.55 -0.26 0.00 3.44 5.04 0.23 -4.64 117.35 123.72 1is4 s TYR 51 Ca 0.13 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 1is4 s TYR 51 Cb -0.15 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.75 1is4 s TYR 51 CO -0.16 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 173.82 1is4 n GLY 52 N 5.31 3.65 0.15 8.97 0.00 -1.26 -0.65 105.19 121.36 1is4 n GLY 52 Ca -0.05 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1is4 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is4 n ALA 53 N 12.09 2.85 -2.66 4.61 0.00 -1.26 -4.88 120.51 131.27 1is4 n ALA 53 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1is4 n ALA 53 Cb 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 1is4 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1is4 s ASP 54 N -2.49 6.46 -0.05 0.00 1.01 0.17 -5.05 116.67 116.72 1is4 s ASP 54 Ca 0.27 0.55 -0.01 0.00 0.71 0.00 0.00 52.55 54.07 1is4 s ASP 54 Cb 0.20 -2.25 0.03 0.00 1.01 0.00 0.00 42.92 41.90 1is4 s ASP 54 CO 0.49 -0.13 0.02 -1.10 0.21 0.00 0.00 175.17 174.66 1is4 s GLN 55 N 1.54 0.34 -1.08 8.23 -0.21 -1.26 -0.60 119.66 126.63 1is4 s GLN 55 Ca 0.20 0.17 -0.10 0.00 0.02 0.00 0.00 55.36 55.65 1is4 s GLN 55 Cb -0.15 -0.71 -0.05 0.00 1.00 0.00 0.00 33.01 33.09 1is4 s GLN 55 CO 0.09 -0.26 0.88 0.09 -2.12 0.00 0.00 175.29 173.97 1is4 n ASN 56 N 4.90 -6.25 -4.02 5.90 3.02 0.98 -4.99 115.26 114.78 1is4 n ASN 56 Ca -0.11 -0.80 -0.10 0.00 -0.03 0.00 0.00 54.58 53.54 1is4 n ASN 56 Cb 0.50 -4.69 -0.11 0.00 -0.61 0.00 0.00 39.78 34.87 1is4 n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1is4 s VAL 57 N -3.41 0.27 -0.15 2.41 0.11 -0.85 -4.79 120.40 113.99 1is4 s VAL 57 Ca 0.46 -1.10 -0.07 0.00 -2.93 0.00 0.00 61.98 58.34 1is4 s VAL 57 Cb -0.09 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1is4 s VAL 57 CO 0.77 -0.53 0.11 -0.76 -3.33 0.00 0.00 175.10 171.36 1is4 s LEU 58 N -1.72 4.13 -0.11 2.54 1.43 0.01 -1.01 118.68 123.95 1is4 s LEU 58 Ca -0.11 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1is4 s LEU 58 Cb -0.07 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1is4 s LEU 58 CO -0.02 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 1is4 s VAL 59 N -0.39 1.63 -0.03 -1.59 1.01 -0.64 -0.55 120.40 119.85 1is4 s VAL 59 Ca 0.11 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1is4 s VAL 59 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1is4 s VAL 59 CO 0.01 0.47 -0.14 -0.76 0.00 0.00 0.00 175.10 174.68 1is4 s LEU 60 N 0.93 2.74 0.29 3.92 1.02 0.75 -0.51 118.68 127.82 1is4 s LEU 60 Ca -0.07 -0.24 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 1is4 s LEU 60 Cb -0.15 -1.57 0.06 0.00 0.02 0.00 0.00 46.19 44.55 1is4 s LEU 60 CO -0.01 0.32 0.90 0.21 0.02 0.00 0.00 176.35 177.79 1is4 s ASN 61 N -0.94 -0.00 0.14 2.29 3.84 -0.64 -0.57 114.94 119.05 1is4 s ASN 61 Ca 0.13 -0.92 0.07 0.00 0.21 0.00 0.00 52.86 52.35 1is4 s ASN 61 Cb -0.11 0.69 -0.04 0.00 -0.55 0.00 0.00 41.25 41.25 1is4 s ASN 61 CO 0.02 -1.37 -0.17 -0.94 -2.79 0.00 0.00 177.10 171.85 1is4 s SER 62 N -3.22 2.37 -0.13 -4.21 1.04 -1.26 -0.67 113.70 107.62 1is4 s SER 62 Ca 0.18 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1is4 s SER 62 Cb -0.04 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1is4 s SER 62 CO 0.09 -0.06 -0.21 -0.22 0.98 0.00 0.00 173.24 173.81 1is4 s LEU 63 N -2.44 2.05 -0.18 2.42 2.96 0.01 -1.88 118.68 121.62 1is4 s LEU 63 Ca 0.11 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1is4 s LEU 63 Cb -0.06 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1is4 s LEU 63 CO 0.05 0.07 0.09 -0.69 -1.32 0.00 0.00 176.35 174.55 1is4 s VAL 64 N 0.82 5.02 0.06 1.68 1.01 -0.27 -1.56 120.40 127.16 1is4 s VAL 64 Ca -0.08 0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.62 1is4 s VAL 64 Cb -0.16 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 1is4 s VAL 64 CO -0.01 0.48 1.73 1.57 0.00 0.00 0.00 175.10 178.87 1is4 n HIS 65 N 3.29 2.35 -1.43 5.22 -0.00 -1.08 -0.73 115.22 122.85 1is4 n HIS 65 Ca -0.17 0.10 -0.15 0.00 0.46 0.00 0.00 57.72 57.96 1is4 n HIS 65 Cb 0.52 -2.62 -0.07 0.00 -0.12 0.00 0.00 29.99 27.71 1is4 n HIS 65 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1is4 n ASN 66 N 4.97 -5.42 0.05 0.26 4.05 -1.26 -4.75 115.26 113.15 1is4 n ASN 66 Ca 0.19 0.38 0.00 0.00 0.45 0.00 0.00 54.58 55.60 1is4 n ASN 66 Cb 0.30 -4.38 0.00 0.00 1.23 0.00 0.00 39.78 36.94 1is4 n ASN 66 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1is4 n VAL 67 N -2.23 0.83 0.00 3.44 0.31 0.01 -5.17 118.33 115.52 1is4 n VAL 67 Ca -0.15 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1is4 n VAL 67 Cb 0.62 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1is4 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1is4 n GLY 68 N 3.15 0.74 3.77 2.92 0.00 0.09 -4.95 105.19 110.91 1is4 n GLY 68 Ca 0.00 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1is4 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1is4 s TRP 69 N -1.01 3.43 0.00 1.61 0.52 -1.26 -1.11 118.94 121.11 1is4 s TRP 69 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 56.10 57.80 1is4 s TRP 69 Cb 0.00 -3.19 0.00 0.00 -1.15 0.00 0.00 33.47 29.13 1is4 s TRP 69 CO 0.00 -0.56 0.00 1.04 0.02 0.00 0.00 176.95 177.45 1is4 n GLN 70 N 0.53 3.74 -2.43 4.98 1.13 -0.79 -4.96 117.38 119.59 1is4 n GLN 70 Ca 0.02 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 1is4 n GLN 70 Cb 0.47 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.80 1is4 n GLN 70 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1is4 s GLN 71 N 3.93 4.31 0.41 -1.09 0.74 -1.26 -4.87 119.66 121.83 1is4 s GLN 71 Ca 0.00 1.69 -0.23 0.00 0.05 0.00 0.00 55.36 56.86 1is4 s GLN 71 Cb 0.00 -3.63 -0.09 0.00 1.10 0.00 0.00 33.01 30.39 1is4 s GLN 71 CO 0.00 -0.54 1.04 -1.21 -0.55 0.00 0.00 175.29 174.03 1is4 s GLU 72 N 2.65 4.13 0.03 1.67 2.02 -1.26 -4.72 118.70 123.22 1is4 s GLU 72 Ca 0.56 1.46 0.09 0.00 0.02 0.00 0.00 54.97 57.10 1is4 s GLU 72 Cb -0.24 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1is4 s GLU 72 CO 0.20 -0.16 -0.26 -1.21 0.02 0.00 0.00 175.26 173.84 1is4 s GLU 73 N -2.63 1.86 0.14 1.61 2.02 0.26 -4.96 118.70 116.99 1is4 s GLU 73 Ca 0.59 -1.08 0.10 0.00 0.02 0.00 0.00 54.97 54.60 1is4 s GLU 73 Cb -0.20 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1is4 s GLU 73 CO 0.25 0.52 -0.23 1.03 0.02 0.00 0.00 175.26 176.85 1is4 s ARG 74 N -1.14 1.31 0.04 1.61 0.52 -1.26 -0.18 118.95 119.85 1is4 s ARG 74 Ca 0.11 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 1is4 s ARG 74 Cb -0.10 -1.63 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 1is4 s ARG 74 CO 0.02 0.37 -0.08 0.45 0.02 0.00 0.00 175.30 176.08 1is4 s SER 75 N -2.20 0.89 0.05 0.23 0.15 0.29 -4.99 113.70 108.12 1is4 s SER 75 Ca 0.13 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.51 1is4 s SER 75 Cb -0.09 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1is4 s SER 75 CO 0.06 -0.16 1.01 2.29 1.20 0.00 0.00 173.24 177.64 1is4 n LYS 76 N 1.64 0.30 -1.96 5.44 0.00 -1.26 -0.81 118.16 121.51 1is4 n LYS 76 Ca -0.21 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.67 1is4 n LYS 76 Cb 0.55 -1.60 -0.03 0.00 -0.00 0.00 0.00 35.03 33.96 1is4 n LYS 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1is4 s LYS 77 N -3.21 4.13 -0.43 -1.58 1.02 -1.26 -4.89 119.74 113.51 1is4 s LYS 77 Ca 0.03 2.21 0.07 0.00 0.02 0.00 0.00 55.97 58.30 1is4 s LYS 77 Cb 0.14 -4.02 0.24 0.00 -0.52 0.00 0.00 37.83 33.67 1is4 s LYS 77 CO 0.81 -0.92 0.65 0.34 -0.92 0.00 0.00 175.35 175.31 1is4 n PHE 78 N 7.38 -1.61 -1.04 3.18 -0.00 -1.26 -4.59 117.46 119.51 1is4 n PHE 78 Ca 0.18 -2.81 -0.20 0.00 -0.00 0.00 0.00 57.45 54.62 1is4 n PHE 78 Cb 0.43 0.45 -0.11 0.00 -0.00 0.00 0.00 39.48 40.24 1is4 n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1is4 n PRO 79 N 1.63 2.45 -4.66 -7.13 -0.04 -1.26 -4.90 135.00 121.09 1is4 n PRO 79 Ca 0.17 -1.35 -0.24 0.00 -0.04 0.00 0.00 63.50 62.03 1is4 n PRO 79 Cb 0.56 -2.25 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 1is4 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1is4 s PHE 80 N 1.57 1.64 -0.03 0.54 0.08 -1.26 -4.87 117.98 115.65 1is4 s PHE 80 Ca 0.64 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.37 1is4 s PHE 80 Cb 0.25 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 1is4 s PHE 80 CO -0.02 0.04 -0.10 0.99 -0.10 0.00 0.00 175.22 176.03 1is4 s THR 81 N -0.68 0.87 0.35 0.64 2.01 -1.26 -5.11 115.64 112.46 1is4 s THR 81 Ca 0.06 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 1is4 s THR 81 Cb -0.08 -0.77 -0.12 0.00 0.01 0.00 0.00 72.50 71.54 1is4 s THR 81 CO 0.01 0.27 1.44 0.29 -0.69 0.00 0.00 174.62 175.94 1is4 n LYS 82 N 3.34 2.50 -0.30 4.92 5.02 -1.26 -1.97 118.16 130.41 1is4 n LYS 82 Ca -0.19 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1is4 n LYS 82 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1is4 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1is4 n GLY 83 N 0.76 1.76 3.77 0.72 0.00 -0.08 -4.83 105.19 107.29 1is4 n GLY 83 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1is4 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1is4 s ASP 84 N -3.33 4.76 0.53 1.61 -0.00 -0.83 -4.76 116.67 114.64 1is4 s ASP 84 Ca 0.00 -0.79 -0.18 0.00 -0.00 0.00 0.00 52.55 51.58 1is4 s ASP 84 Cb 0.00 -0.70 -0.07 0.00 -0.00 0.00 0.00 42.92 42.16 1is4 s ASP 84 CO 0.00 -0.39 1.04 -1.00 -0.00 0.00 0.00 175.17 174.82 1is4 s HIS 85 N -2.45 3.06 0.13 4.23 3.76 -1.26 -1.05 115.29 121.72 1is4 s HIS 85 Ca 0.40 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 56.83 1is4 s HIS 85 Cb -0.02 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1is4 s HIS 85 CO 0.24 -0.86 0.08 -0.59 -0.85 0.00 0.00 174.74 172.77 1is4 s PHE 86 N -2.25 0.79 -0.15 1.40 -0.71 -0.57 -4.86 117.98 111.64 1is4 s PHE 86 Ca 0.65 -1.17 -0.09 0.00 -1.04 0.00 0.00 56.93 55.29 1is4 s PHE 86 Cb -0.15 -0.42 0.05 0.00 -1.21 0.00 0.00 43.02 41.29 1is4 s PHE 86 CO 0.28 -0.54 0.36 -1.14 -1.34 0.00 0.00 175.22 172.83 1is4 s GLN 87 N -4.03 0.35 -0.01 1.99 0.74 -1.26 -1.76 119.66 115.67 1is4 s GLN 87 Ca 0.23 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.34 1is4 s GLN 87 Cb 0.07 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1is4 s GLN 87 CO 0.01 -0.15 -0.05 0.99 -0.55 0.00 0.00 175.29 175.55 1is4 s THR 88 N 1.21 0.42 -0.06 -0.34 2.01 -0.64 -2.18 115.64 116.07 1is4 s THR 88 Ca -0.08 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1is4 s THR 88 Cb -0.08 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1is4 s THR 88 CO -0.10 0.14 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.85 1is4 s THR 89 N 0.10 2.25 -0.05 -0.82 2.01 -0.63 -1.12 115.64 117.38 1is4 s THR 89 Ca -0.01 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.02 1is4 s THR 89 Cb -0.05 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1is4 s THR 89 CO -0.00 0.57 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.75 1is4 s ILE 90 N -0.24 1.09 0.24 1.82 1.01 0.33 -0.40 121.20 125.05 1is4 s ILE 90 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1is4 s ILE 90 Cb -0.13 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1is4 s ILE 90 CO 0.03 0.34 0.04 0.42 0.00 0.00 0.00 174.94 175.77 1is4 s THR 91 N 0.51 0.80 0.11 2.92 -4.23 -0.64 -1.51 115.64 113.60 1is4 s THR 91 Ca -0.11 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1is4 s THR 91 Cb -0.14 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1is4 s THR 91 CO 0.03 -0.19 0.32 0.72 -0.54 0.00 0.00 174.62 174.96 1is4 s PHE 92 N -3.58 -0.06 0.00 3.99 -0.71 -1.26 -0.41 117.98 115.94 1is4 s PHE 92 Ca 0.32 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 1is4 s PHE 92 Cb 0.07 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1is4 s PHE 92 CO 0.10 -0.65 0.00 -0.40 -1.34 0.00 0.00 175.22 172.94 1is4 n ASP 93 N -0.17 1.77 0.00 1.98 3.85 -0.42 -3.72 116.55 119.85 1is4 n ASP 93 Ca -0.15 -0.75 0.10 0.00 -0.71 0.00 0.00 54.79 53.28 1is4 n ASP 93 Cb 0.63 0.00 0.51 0.00 -1.35 0.00 0.00 41.12 40.91 1is4 n ASP 93 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1is4 n THR 94 N 0.00 0.41 -0.02 2.12 -2.24 -1.26 -3.19 114.28 110.10 1is4 n THR 94 Ca 0.00 0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.91 1is4 n THR 94 Cb 0.00 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 1is4 n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1is4 n HIS 95 N -1.34 0.00 -3.77 4.78 8.25 -1.26 -4.22 115.22 117.66 1is4 n HIS 95 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1is4 n HIS 95 Cb 0.19 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 30.88 1is4 n HIS 95 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1is4 s THR 96 N -2.60 -0.00 -0.20 1.59 2.01 -1.19 -1.09 115.64 114.15 1is4 s THR 96 Ca -0.04 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 61.84 1is4 s THR 96 Cb 0.06 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 1is4 s THR 96 CO 0.43 0.01 0.27 -0.36 -0.69 0.00 0.00 174.62 174.28 1is4 s PHE 97 N 0.28 3.39 -0.27 4.92 0.08 0.10 -1.30 117.98 125.19 1is4 s PHE 97 Ca -0.01 0.47 -0.07 0.00 0.12 0.00 0.00 56.93 57.44 1is4 s PHE 97 Cb -0.03 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1is4 s PHE 97 CO -0.01 0.12 0.07 0.71 -0.10 0.00 0.00 175.22 176.02 1is4 s TYR 98 N 0.87 3.10 -0.08 0.36 1.51 0.45 -1.49 117.35 122.08 1is4 s TYR 98 Ca 0.14 -0.66 0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1is4 s TYR 98 Cb -0.13 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1is4 s TYR 98 CO 0.05 -0.45 -0.21 0.42 -1.11 0.00 0.00 175.55 174.24 1is4 s ILE 99 N 1.57 2.37 -0.10 2.71 1.01 -0.13 -1.62 121.20 127.01 1is4 s ILE 99 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1is4 s ILE 99 Cb -0.16 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1is4 s ILE 99 CO 0.03 0.56 -0.21 -1.58 0.00 0.00 0.00 174.94 173.74 1is4 s GLN 100 N 0.02 2.80 0.77 2.79 0.74 0.46 -0.92 119.66 126.33 1is4 s GLN 100 Ca -0.08 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.48 1is4 s GLN 100 Cb -0.15 -2.17 0.12 0.00 1.10 0.00 0.00 33.01 31.91 1is4 s GLN 100 CO 0.05 0.11 1.07 -0.51 -0.55 0.00 0.00 175.29 175.46 1is4 s LEU 101 N 0.52 2.89 0.39 3.68 1.43 0.07 -1.61 118.68 126.05 1is4 s LEU 101 Ca -0.15 0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1is4 s LEU 101 Cb -0.17 -2.39 0.88 0.00 0.03 0.00 0.00 46.19 44.54 1is4 s LEU 101 CO 0.06 -1.98 1.95 0.28 0.23 0.00 0.00 176.35 176.89 1is4 h SER 102 N -0.80 0.53 -0.29 2.29 0.02 -1.76 -1.91 113.55 111.64 1is4 h SER 102 Ca -0.41 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1is4 h SER 102 Cb 1.27 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1is4 h SER 102 CO 0.45 0.32 0.00 -0.46 -1.14 0.00 0.00 176.83 176.00 1is4 n ASN 103 N -4.49 1.97 0.00 3.07 6.94 -1.26 -4.92 115.26 116.57 1is4 n ASN 103 Ca 0.11 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1is4 n ASN 103 Cb 0.33 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1is4 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1is4 n GLY 104 N 1.15 1.46 3.76 4.83 0.00 -0.72 -5.05 105.19 110.61 1is4 n GLY 104 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1is4 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1is4 s GLU 105 N -0.56 2.81 0.25 1.61 2.02 -1.26 -4.69 118.70 118.88 1is4 s GLU 105 Ca 0.00 1.58 0.10 0.00 0.02 0.00 0.00 54.97 56.68 1is4 s GLU 105 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 1is4 s GLU 105 CO 0.00 -1.28 -0.18 0.95 0.02 0.00 0.00 175.26 174.77 1is4 s THR 106 N -2.02 2.19 0.00 3.63 -4.23 -1.26 -0.75 115.64 113.20 1is4 s THR 106 Ca 0.71 -2.32 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1is4 s THR 106 Cb -0.25 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1is4 s THR 106 CO 0.38 -0.46 0.00 0.54 -0.54 0.00 0.00 174.62 174.54 1is4 s VAL 107 N -2.64 0.02 0.05 2.29 0.11 -0.10 -4.98 120.40 115.15 1is4 s VAL 107 Ca 0.27 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 1is4 s VAL 107 Cb -0.04 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1is4 s VAL 107 CO 0.12 -0.11 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.99 1is4 s GLU 108 N -0.32 2.03 -0.03 1.54 8.01 -1.26 -0.96 118.70 127.72 1is4 s GLU 108 Ca -0.04 -1.01 -0.02 0.00 0.01 0.00 0.00 54.97 53.92 1is4 s GLU 108 Cb -0.02 -2.18 0.01 0.00 -4.31 0.00 0.00 34.13 27.63 1is4 s GLU 108 CO -0.00 0.53 0.07 0.12 0.01 0.00 0.00 175.26 175.99 1is4 s PHE 109 N -0.96 -0.06 0.29 1.61 5.36 -0.55 -4.97 117.98 118.70 1is4 s PHE 109 Ca 0.15 0.20 -0.30 0.00 -0.96 0.00 0.00 56.93 56.02 1is4 s PHE 109 Cb -0.10 -0.03 -0.13 0.00 -0.34 0.00 0.00 43.02 42.42 1is4 s PHE 109 CO 0.06 -0.06 1.38 -0.35 -1.46 0.00 0.00 175.22 174.79 1is4 n PRO 110 N 3.37 2.15 -2.76 10.12 -0.04 -1.26 0.01 135.00 146.58 1is4 n PRO 110 Ca -0.16 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.63 1is4 n PRO 110 Cb 0.57 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1is4 n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1is4 s ASN 111 N 0.05 6.66 0.45 3.54 3.04 -0.25 -4.72 114.94 123.70 1is4 s ASN 111 Ca 0.62 -2.00 0.17 0.00 0.04 0.00 0.00 52.86 51.69 1is4 s ASN 111 Cb -0.60 -2.48 1.05 0.00 -1.54 0.00 0.00 41.25 37.68 1is4 s ASN 111 CO 0.55 -1.19 1.98 0.03 -3.04 0.00 0.00 177.10 175.43 1is4 h ARG 112 N 8.83 0.00 -0.02 0.43 3.08 -1.87 -2.28 114.38 122.55 1is4 h ARG 112 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1is4 h ARG 112 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1is4 h ARG 112 CO 1.27 0.20 -0.15 0.09 -1.07 0.00 0.00 179.97 180.31 1is4 n ASN 113 N -4.16 2.24 -3.75 7.04 5.03 -1.26 -4.97 115.26 115.43 1is4 n ASN 113 Ca -0.02 -1.66 -0.26 0.00 0.87 0.00 0.00 54.58 53.51 1is4 n ASN 113 Cb 0.27 0.14 0.05 0.00 -1.02 0.00 0.00 39.78 39.21 1is4 n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1is4 n LYS 114 N 0.55 -6.07 -2.69 3.52 5.02 -0.86 -4.98 118.16 112.64 1is4 n LYS 114 Ca 0.14 0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 56.74 1is4 n LYS 114 Cb 0.49 -5.55 -0.06 0.00 -0.02 0.00 0.00 35.03 29.90 1is4 n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1is4 s ASP 115 N -3.63 7.08 0.00 4.39 -0.00 -1.26 -4.97 116.67 118.28 1is4 s ASP 115 Ca 0.45 1.91 0.17 0.00 -0.00 0.00 0.00 52.55 55.08 1is4 s ASP 115 Cb -0.22 -2.58 -0.13 0.00 -0.00 0.00 0.00 42.92 40.00 1is4 s ASP 115 CO 0.79 -0.26 0.79 0.00 -0.00 0.00 0.00 175.17 176.49 1is4 n ALA 116 N 0.21 3.92 -3.39 5.23 0.00 -1.26 -4.70 120.51 120.52 1is4 n ALA 116 Ca 0.04 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 1is4 n ALA 116 Cb 0.50 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 1is4 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1is4 s ALA 117 N -2.43 -1.46 -0.01 0.00 0.00 -1.26 -1.94 121.76 114.66 1is4 s ALA 117 Ca 0.09 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1is4 s ALA 117 Cb 0.13 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1is4 s ALA 117 CO 0.62 -0.44 -0.03 -0.06 0.00 0.00 0.00 175.76 175.85 1is4 s PHE 118 N -1.90 0.31 -1.29 0.00 0.08 -0.07 -4.94 117.98 110.18 1is4 s PHE 118 Ca -0.08 -0.05 0.15 0.00 0.12 0.00 0.00 56.93 57.07 1is4 s PHE 118 Cb -0.01 -0.25 0.40 0.00 -0.57 0.00 0.00 43.02 42.59 1is4 s PHE 118 CO 0.03 -0.04 1.33 0.09 -0.10 0.00 0.00 175.22 176.54 1is4 n ASN 119 N 3.26 3.22 -3.75 1.36 4.13 -0.99 -0.23 115.26 122.26 1is4 n ASN 119 Ca -0.16 -1.98 -0.14 0.00 1.68 0.00 0.00 54.58 53.98 1is4 n ASN 119 Cb 0.57 -0.30 -0.14 0.00 -1.54 0.00 0.00 39.78 38.36 1is4 n ASN 119 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1is4 s LEU 120 N -1.01 0.69 -0.09 3.41 2.96 -0.75 -0.86 118.68 123.02 1is4 s LEU 120 Ca 0.31 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1is4 s LEU 120 Cb 0.16 0.39 0.01 0.00 0.50 0.00 0.00 46.19 47.25 1is4 s LEU 120 CO 0.21 -0.15 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.31 1is4 s ILE 121 N 1.19 1.42 0.11 6.68 1.01 -0.43 -1.51 121.20 129.67 1is4 s ILE 121 Ca -0.09 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1is4 s ILE 121 Cb -0.12 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1is4 s ILE 121 CO -0.06 0.42 0.26 -0.72 0.00 0.00 0.00 174.94 174.84 1is4 s TYR 122 N 0.71 0.07 -0.01 3.97 -0.85 -0.61 -1.30 117.35 119.33 1is4 s TYR 122 Ca -0.13 -0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.01 1is4 s TYR 122 Cb -0.16 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1is4 s TYR 122 CO 0.03 -0.61 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.12 1is4 s LEU 123 N -2.86 2.67 0.08 -3.49 2.96 -0.51 -1.05 118.68 116.49 1is4 s LEU 123 Ca 0.06 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1is4 s LEU 123 Cb 0.04 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1is4 s LEU 123 CO -0.10 0.31 -0.04 0.00 -1.32 0.00 0.00 176.35 175.19 1is4 s ALA 124 N -0.81 0.80 0.00 5.97 0.00 -0.91 -3.45 121.76 123.36 1is4 s ALA 124 Ca 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1is4 s ALA 124 Cb -0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1is4 s ALA 124 CO 0.03 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1is4 n GLY 125 N 0.01 -1.48 2.59 0.00 0.00 -1.26 -1.04 105.19 104.01 1is4 n GLY 125 Ca -0.12 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1is4 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1is4 n ASP 126 N 0.02 7.47 -3.68 1.61 10.43 0.03 -4.85 116.55 127.59 1is4 n ASP 126 Ca 0.00 -3.30 -0.09 0.00 2.57 0.00 0.00 54.79 53.97 1is4 n ASP 126 Cb 0.00 -1.32 -0.03 0.00 1.84 0.00 0.00 41.12 41.62 1is4 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1is4 s ALA 127 N -1.94 -0.54 0.03 2.24 0.00 -1.26 -1.35 121.76 118.93 1is4 s ALA 127 Ca 0.47 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1is4 s ALA 127 Cb 0.17 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 1is4 s ALA 127 CO -0.08 -0.93 -0.02 -0.98 0.00 0.00 0.00 175.76 173.75 1is4 s ARG 128 N -3.57 0.38 0.01 0.00 1.70 -0.58 -4.90 118.95 111.99 1is4 s ARG 128 Ca 0.18 -0.71 -0.06 0.00 -0.47 0.00 0.00 55.73 54.67 1is4 s ARG 128 Cb -0.03 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1is4 s ARG 128 CO 0.10 -0.07 0.26 -0.51 -1.08 0.00 0.00 175.30 174.00 1is4 s LEU 129 N -1.73 4.37 -0.00 -1.89 1.43 -1.26 -1.67 118.68 117.92 1is4 s LEU 129 Ca -0.12 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1is4 s LEU 129 Cb -0.06 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1is4 s LEU 129 CO -0.03 0.25 0.08 0.35 0.23 0.00 0.00 176.35 177.23 1is4 n THR 130 N 1.05 0.00 -3.55 5.49 -2.24 0.22 -4.93 114.28 110.31 1is4 n THR 130 Ca -0.11 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1is4 n THR 130 Cb 0.53 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1is4 n THR 130 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1is4 s PHE 131 N -2.07 -0.37 -0.08 4.78 -0.71 -1.14 -4.99 117.98 113.40 1is4 s PHE 131 Ca -0.01 0.09 -0.13 0.00 -1.04 0.00 0.00 56.93 55.85 1is4 s PHE 131 Cb 0.02 0.47 0.03 0.00 -1.21 0.00 0.00 43.02 42.33 1is4 s PHE 131 CO 0.14 -0.86 0.32 0.54 -1.34 0.00 0.00 175.22 174.02 1is4 s VAL 132 N -3.80 0.02 -0.06 -2.49 0.11 -1.26 -1.90 120.40 111.03 1is4 s VAL 132 Ca 0.04 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1is4 s VAL 132 Cb -0.01 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 1is4 s VAL 132 CO -0.10 -0.10 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.37 1is4 s ARG 133 N -0.39 1.17 -0.23 1.54 0.52 -0.11 -4.99 118.95 116.45 1is4 s ARG 133 Ca -0.05 -0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1is4 s ARG 133 Cb -0.03 -1.08 0.08 0.00 0.52 0.00 0.00 34.95 34.43 1is4 s ARG 133 CO 0.02 -0.06 0.09 -1.17 0.02 0.00 0.00 175.30 174.20 1is4 s LEU 134 N 0.89 0.89 0.00 2.53 2.96 -1.26 -1.33 118.68 123.36 1is4 s LEU 134 Ca -0.11 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 1is4 s LEU 134 Cb -0.15 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.09 1is4 s LEU 134 CO 0.01 -0.38 0.00 -1.84 -1.32 0.00 0.00 176.35 172.82