#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0s s ASP 2 N 0.00 6.24 0.55 6.12 2.15 -1.26 -4.94 116.67 125.53 1i0s s ASP 2 Ca 0.00 -0.43 0.26 0.00 0.43 0.00 0.00 52.55 52.81 1i0s s ASP 2 Cb 0.00 -2.25 1.46 0.00 -0.30 0.00 0.00 42.92 41.83 1i0s s ASP 2 CO 0.00 -0.56 2.02 1.62 -0.17 0.00 0.00 175.17 178.08 1i0s h VAL 3 N 5.71 0.65 -0.10 1.11 3.04 -2.07 -1.18 116.25 123.41 1i0s h VAL 3 Ca -0.27 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.45 1i0s h VAL 3 Cb 1.12 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1i0s h VAL 3 CO 0.79 0.00 0.10 -0.08 -1.01 0.00 0.00 177.57 177.38 1i0s h GLU 4 N 0.00 0.00 -0.24 4.17 4.81 -2.01 -0.62 114.58 120.70 1i0s h GLU 4 Ca 0.19 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1i0s h GLU 4 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1i0s h GLU 4 CO -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1i0s h ALA 5 N 1.89 1.54 0.00 2.92 0.00 -1.63 -1.86 119.26 122.11 1i0s h ALA 5 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1i0s h ALA 5 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1i0s h ALA 5 CO -0.00 0.34 -0.16 0.74 0.00 0.00 0.00 179.25 180.17 1i0s h PHE 6 N 0.35 0.00 0.00 0.00 -1.00 -1.29 -1.77 116.94 113.23 1i0s h PHE 6 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1i0s h PHE 6 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1i0s h PHE 6 CO 0.01 0.16 0.00 0.66 -1.61 0.00 0.00 178.31 177.53 1i0s n TYR 7 N -3.37 0.00 1.20 -0.55 4.01 -0.70 -2.54 117.16 115.20 1i0s n TYR 7 Ca -0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1i0s n TYR 7 Cb 0.36 -0.13 0.39 0.00 -0.31 0.00 0.00 39.34 39.65 1i0s n TYR 7 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1i0s n LYS 8 N -1.13 0.58 -2.79 -0.72 4.76 -0.67 -4.85 118.16 113.34 1i0s n LYS 8 Ca 0.17 -0.31 -0.41 0.00 -2.87 0.00 0.00 58.31 54.89 1i0s n LYS 8 Cb 0.15 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1i0s n LYS 8 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1i0s s ILE 9 N -2.64 4.49 0.14 -0.18 1.01 -1.05 -5.04 121.20 117.92 1i0s s ILE 9 Ca 0.21 1.98 -0.10 0.00 0.00 0.00 0.00 60.65 62.74 1i0s s ILE 9 Cb 0.19 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1i0s s ILE 9 CO 0.56 0.36 0.46 -0.44 0.00 0.00 0.00 174.94 175.88 1i0s s SER 10 N -0.20 6.65 0.14 3.58 0.01 -1.26 -5.01 113.70 117.61 1i0s s SER 10 Ca 0.44 0.85 -0.08 0.00 1.31 0.00 0.00 55.95 58.47 1i0s s SER 10 Cb -0.23 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1i0s s SER 10 CO 0.29 0.08 0.23 -0.31 0.41 0.00 0.00 173.24 173.94 1i0s s TYR 11 N -1.56 0.41 0.00 2.43 1.51 -1.26 -5.06 117.35 113.82 1i0s s TYR 11 Ca 0.39 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1i0s s TYR 11 Cb -0.13 -0.12 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 1i0s s TYR 11 CO 0.20 -0.66 0.00 0.41 -1.11 0.00 0.00 175.55 174.40 1i0s n GLY 12 N -0.16 1.99 2.95 0.71 0.00 -1.25 -0.61 105.19 108.82 1i0s n GLY 12 Ca -0.09 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.59 1i0s n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i0s s LEU 13 N 0.00 1.47 0.11 0.99 2.96 -1.05 -3.83 118.68 119.34 1i0s s LEU 13 Ca 0.00 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1i0s s LEU 13 Cb 0.00 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 1i0s s LEU 13 CO 0.00 -0.02 0.05 -0.31 -1.32 0.00 0.00 176.35 174.75 1i0s s TYR 14 N 0.78 0.76 -0.18 5.38 1.51 -0.17 -2.33 117.35 123.10 1i0s s TYR 14 Ca -0.13 -1.17 -0.03 0.00 -1.01 0.00 0.00 57.07 54.73 1i0s s TYR 14 Cb -0.15 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1i0s s TYR 14 CO 0.02 -0.50 -0.05 0.42 -1.11 0.00 0.00 175.55 174.33 1i0s s ILE 15 N -4.02 3.61 -0.21 2.71 1.01 -0.70 -0.99 121.20 122.61 1i0s s ILE 15 Ca 0.20 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1i0s s ILE 15 Cb 0.07 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1i0s s ILE 15 CO -0.01 0.47 0.05 -0.69 0.00 0.00 0.00 174.94 174.75 1i0s s VAL 16 N 0.79 4.38 0.31 2.92 1.01 0.50 -0.68 120.40 129.64 1i0s s VAL 16 Ca -0.02 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.91 1i0s s VAL 16 Cb -0.15 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 1i0s s VAL 16 CO 0.02 0.41 -0.15 0.42 0.00 0.00 0.00 175.10 175.79 1i0s s THR 17 N 0.98 2.37 0.26 3.92 -4.23 0.16 -0.90 115.64 118.19 1i0s s THR 17 Ca 0.03 -2.32 -0.21 0.00 -1.18 0.00 0.00 61.69 58.02 1i0s s THR 17 Cb -0.14 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1i0s s THR 17 CO 0.03 -0.31 0.87 -0.55 -0.54 0.00 0.00 174.62 174.12 1i0s s SER 18 N -3.55 -0.10 -0.09 3.99 0.15 -0.87 -0.82 113.70 112.41 1i0s s SER 18 Ca 0.31 -0.73 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1i0s s SER 18 Cb -0.02 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1i0s s SER 18 CO 0.16 -1.26 0.19 -0.70 1.20 0.00 0.00 173.24 172.83 1i0s s GLU 19 N -2.90 0.12 -0.08 5.44 -6.30 -1.26 -0.64 118.70 113.07 1i0s s GLU 19 Ca 0.15 0.50 -0.06 0.00 -2.50 0.00 0.00 54.97 53.06 1i0s s GLU 19 Cb -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 34.13 33.95 1i0s s GLU 19 CO 0.07 -0.21 0.21 0.45 0.02 0.00 0.00 175.26 175.79 1i0s s SER 20 N 1.57 -0.21 -1.45 -1.70 0.15 -0.54 -4.67 113.70 106.86 1i0s s SER 20 Ca -0.06 0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.93 1i0s s SER 20 Cb -0.11 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1i0s s SER 20 CO -0.07 -0.11 0.93 0.59 1.20 0.00 0.00 173.24 175.78 1i0s n ASN 21 N 3.47 -5.87 -0.72 5.45 5.03 -1.26 -1.60 115.26 119.75 1i0s n ASN 21 Ca -0.18 -0.49 -0.09 0.00 0.87 0.00 0.00 54.58 54.68 1i0s n ASN 21 Cb 0.56 -4.68 -0.04 0.00 -1.02 0.00 0.00 39.78 34.60 1i0s n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i0s n GLY 22 N -1.75 1.05 3.19 7.41 0.00 -1.26 -4.99 105.19 108.83 1i0s n GLY 22 Ca -0.02 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1i0s n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i0s s ARG 23 N -2.58 2.98 0.26 1.61 3.52 -0.63 -5.11 118.95 119.01 1i0s s ARG 23 Ca 0.00 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 1i0s s ARG 23 Cb 0.00 -2.32 -0.09 0.00 -1.56 0.00 0.00 34.95 30.97 1i0s s ARG 23 CO 0.00 0.09 1.02 0.15 -0.81 0.00 0.00 175.30 175.74 1i0s s LYS 24 N 0.57 4.73 0.15 5.12 1.02 -1.26 -1.47 119.74 128.60 1i0s s LYS 24 Ca -0.13 1.63 0.05 0.00 0.02 0.00 0.00 55.97 57.55 1i0s s LYS 24 Cb -0.17 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1i0s s LYS 24 CO 0.04 0.35 -0.12 0.00 -0.92 0.00 0.00 175.35 174.70 1i0s s GLY 26 N -2.96 -0.54 -0.18 0.00 0.00 -1.26 -2.04 107.32 100.34 1i0s s GLY 26 Ca 0.15 1.50 -0.16 0.00 0.00 0.00 0.00 44.72 46.21 1i0s s GLY 26 CO 0.02 1.09 0.46 1.62 0.00 0.00 0.00 173.10 176.30 1i0s s GLN 27 N -0.94 0.53 0.30 2.90 2.00 -0.08 -4.86 119.66 119.52 1i0s s GLN 27 Ca -0.08 0.67 -0.29 0.00 -2.00 0.00 0.00 55.36 53.65 1i0s s GLN 27 Cb -0.01 0.24 -0.10 0.00 0.80 0.00 0.00 33.01 33.95 1i0s s GLN 27 CO 0.08 -0.07 1.16 0.42 -0.50 0.00 0.00 175.29 176.38 1i0s s ILE 28 N 0.35 3.25 -0.01 -2.34 -1.09 -0.56 -0.37 121.20 120.43 1i0s s ILE 28 Ca -0.01 1.25 -0.16 0.00 -2.23 0.00 0.00 60.65 59.49 1i0s s ILE 28 Cb -0.04 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1i0s s ILE 28 CO -0.01 0.29 0.35 0.00 -1.23 0.00 0.00 174.94 174.34 1i0s s ALA 29 N -1.18 -0.88 -0.33 9.38 0.00 -0.16 -4.89 121.76 123.70 1i0s s ALA 29 Ca 0.47 0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.93 1i0s s ALA 29 Cb -0.34 0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.74 1i0s s ALA 29 CO 0.44 -0.28 0.36 0.27 0.00 0.00 0.00 175.76 176.55 1i0s n ASN 30 N 1.19 1.12 -4.35 0.00 6.94 -1.26 -1.00 115.26 117.90 1i0s n ASN 30 Ca -0.21 -0.52 -0.45 0.00 -0.02 0.00 0.00 54.58 53.38 1i0s n ASN 30 Cb 0.56 1.14 -0.00 0.00 -2.36 0.00 0.00 39.78 39.11 1i0s n ASN 30 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1i0s s THR 31 N -2.15 5.83 -0.05 5.53 2.01 -1.26 -3.89 115.64 121.66 1i0s s THR 31 Ca 0.02 -3.16 0.00 0.00 0.31 0.00 0.00 61.69 58.86 1i0s s THR 31 Cb 0.07 -4.62 0.02 0.00 0.01 0.00 0.00 72.50 67.99 1i0s s THR 31 CO 0.41 -1.21 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.41 1i0s s VAL 32 N -0.68 0.47 -0.01 3.82 1.01 -1.26 -1.83 120.40 121.91 1i0s s VAL 32 Ca 0.30 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 1i0s s VAL 32 Cb -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1i0s s VAL 32 CO -0.07 0.23 0.46 -0.36 0.00 0.00 0.00 175.10 175.35 1i0s s PHE 33 N 1.18 -0.36 -0.03 5.22 0.40 -0.68 -4.84 117.98 118.87 1i0s s PHE 33 Ca -0.07 0.55 -0.28 0.00 -0.60 0.00 0.00 56.93 56.53 1i0s s PHE 33 Cb -0.14 0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.59 1i0s s PHE 33 CO -0.01 -0.51 0.89 -1.14 0.70 0.00 0.00 175.22 175.15 1i0s s GLN 34 N -1.55 4.51 -0.20 0.44 0.74 -1.26 -0.20 119.66 122.14 1i0s s GLN 34 Ca -0.11 1.25 -0.13 0.00 0.05 0.00 0.00 55.36 56.42 1i0s s GLN 34 Cb -0.03 -3.46 -0.20 0.00 1.10 0.00 0.00 33.01 30.43 1i0s s GLN 34 CO 0.05 -0.03 0.11 1.28 -0.55 0.00 0.00 175.29 176.14 1i0s n LEU 35 N 3.92 2.25 -4.18 3.68 4.77 -0.01 -4.93 117.00 122.51 1i0s n LEU 35 Ca 0.04 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1i0s n LEU 35 Cb 0.51 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1i0s n LEU 35 CO 0.50 0.59 -0.29 0.42 -1.33 0.00 0.00 177.39 177.28 1i0s s THR 36 N -2.47 0.19 -0.03 -5.08 -4.23 -1.21 -4.99 115.64 97.81 1i0s s THR 36 Ca -0.29 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1i0s s THR 36 Cb 0.08 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.70 1i0s s THR 36 CO 0.63 -0.38 0.13 -1.54 -0.54 0.00 0.00 174.62 172.92 1i0s n SER 37 N -0.15 3.35 -3.73 3.99 3.41 -1.26 -2.33 113.62 116.89 1i0s n SER 37 Ca -0.04 -0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1i0s n SER 37 Cb 0.64 1.23 -0.13 0.00 -0.26 0.00 0.00 64.21 65.69 1i0s n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i0s s LYS 38 N -2.29 1.46 0.74 4.33 1.02 -1.26 -2.93 119.74 120.82 1i0s s LYS 38 Ca -0.02 -2.23 -0.07 0.00 0.02 0.00 0.00 55.97 53.67 1i0s s LYS 38 Cb 0.04 -2.49 0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1i0s s LYS 38 CO 0.23 -1.19 1.06 -1.25 -0.92 0.00 0.00 175.35 173.28 1i0s s PRO 39 N 0.06 1.87 0.02 -1.68 0.04 -1.26 -5.05 135.00 129.00 1i0s s PRO 39 Ca 0.20 -0.43 -0.30 0.00 0.04 0.00 0.00 61.00 60.50 1i0s s PRO 39 Cb -0.20 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1i0s s PRO 39 CO -0.03 -1.45 1.52 0.08 0.04 0.00 0.00 177.00 177.16 1i0s s VAL 40 N -3.32 3.42 -0.03 -0.36 1.01 -1.15 -4.63 120.40 115.34 1i0s s VAL 40 Ca 0.63 0.81 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1i0s s VAL 40 Cb -0.09 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1i0s s VAL 40 CO 0.46 -0.01 -0.15 -1.10 0.00 0.00 0.00 175.10 174.30 1i0s s GLN 41 N 2.61 1.44 -0.05 2.72 -0.21 -0.99 -1.40 119.66 123.78 1i0s s GLN 41 Ca 0.69 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 55.60 1i0s s GLN 41 Cb -0.35 -1.31 -0.01 0.00 1.00 0.00 0.00 33.01 32.34 1i0s s GLN 41 CO 0.29 0.25 -0.25 0.42 -2.12 0.00 0.00 175.29 173.88 1i0s s ILE 42 N -0.08 2.05 -0.06 1.08 -1.09 0.67 -0.83 121.20 122.93 1i0s s ILE 42 Ca -0.00 -1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1i0s s ILE 42 Cb -0.09 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1i0s s ILE 42 CO 0.01 0.57 0.00 0.00 -1.23 0.00 0.00 174.94 174.29 1i0s s ALA 43 N -0.30 3.28 -0.05 9.38 0.00 0.72 -0.19 121.76 134.61 1i0s s ALA 43 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1i0s s ALA 43 Cb -0.13 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1i0s s ALA 43 CO 0.02 0.60 -0.08 0.14 0.00 0.00 0.00 175.76 176.44 1i0s s VAL 44 N -0.93 0.81 -0.26 0.00 -7.23 -0.55 -1.68 120.40 110.55 1i0s s VAL 44 Ca 0.15 -0.31 -0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1i0s s VAL 44 Cb -0.11 -0.76 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1i0s s VAL 44 CO 0.04 0.28 0.06 0.00 -0.31 0.00 0.00 175.10 175.17 1i0s s LEU 46 N 1.55 2.05 0.18 0.00 1.43 -0.74 -4.73 118.68 118.42 1i0s s LEU 46 Ca 0.05 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 1i0s s LEU 46 Cb -0.16 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.91 1i0s s LEU 46 CO 0.02 0.25 1.40 0.21 0.23 0.00 0.00 176.35 178.46 1i0s s ASN 47 N -0.56 6.78 0.66 2.29 3.84 -1.26 -1.41 114.94 125.27 1i0s s ASN 47 Ca 0.08 2.47 0.38 0.00 0.21 0.00 0.00 52.86 56.00 1i0s s ASN 47 Cb -0.08 -2.60 2.09 0.00 -0.55 0.00 0.00 41.25 40.11 1i0s s ASN 47 CO -0.01 -0.65 2.20 0.11 -2.79 0.00 0.00 177.10 175.97 1i0s h LYS 48 N 5.92 0.00 -0.09 0.43 1.57 -1.65 -1.79 116.57 120.96 1i0s h LYS 48 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1i0s h LYS 48 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1i0s h LYS 48 CO 0.82 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 180.09 1i0s n GLU 49 N -3.12 1.55 -3.46 3.15 1.02 -1.26 -4.75 120.64 113.76 1i0s n GLU 49 Ca -0.02 -0.81 -0.35 0.00 -0.02 0.00 0.00 57.16 55.95 1i0s n GLU 49 Cb 0.19 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1i0s n GLU 49 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1i0s s ASN 50 N -1.72 6.76 0.34 1.62 0.01 -0.67 -4.99 114.94 116.29 1i0s s ASN 50 Ca 0.34 0.95 0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1i0s s ASN 50 Cb 0.18 -2.24 0.62 0.00 0.41 0.00 0.00 41.25 40.22 1i0s s ASN 50 CO 0.28 0.16 1.87 0.44 -1.51 0.00 0.00 177.10 178.35 1i0s h ASP 51 N 3.79 0.46 -0.20 -1.22 3.32 -1.89 -2.49 116.42 118.19 1i0s h ASP 51 Ca -0.49 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 1i0s h ASP 51 Cb 1.20 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1i0s h ASP 51 CO 0.65 0.55 -0.21 0.74 -1.72 0.00 0.00 179.24 179.26 1i0s h THR 52 N 0.46 1.26 -0.26 0.35 2.02 -1.93 -0.86 112.91 113.96 1i0s h THR 52 Ca 0.10 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.07 1i0s h THR 52 Cb 0.35 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1i0s h THR 52 CO 0.01 0.41 -0.03 -0.74 0.37 0.00 0.00 175.52 175.55 1i0s h HIS 53 N 0.57 -0.07 -0.28 3.16 -0.00 -1.70 -0.60 115.15 116.24 1i0s h HIS 53 Ca 0.09 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1i0s h HIS 53 Cb 0.66 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1i0s h HIS 53 CO 0.03 -0.07 -0.25 -0.91 -0.00 0.00 0.00 177.93 176.73 1i0s h ASN 54 N 0.04 0.54 -0.64 3.26 2.35 -1.24 -1.68 115.58 118.21 1i0s h ASN 54 Ca 0.12 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1i0s h ASN 54 Cb 0.17 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1i0s h ASN 54 CO -0.23 0.78 0.20 0.00 -1.65 0.00 0.00 177.43 176.52 1i0s h ALA 55 N 1.27 1.09 -0.15 -0.83 0.00 -0.66 -1.02 119.26 118.97 1i0s h ALA 55 Ca 0.07 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1i0s h ALA 55 Cb 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i0s h ALA 55 CO 0.05 0.62 -0.70 0.28 0.00 0.00 0.00 179.25 179.50 1i0s h VAL 56 N 0.99 1.32 -0.19 0.00 2.07 -0.86 -1.22 116.25 118.36 1i0s h VAL 56 Ca 0.22 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 1i0s h VAL 56 Cb 0.30 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1i0s h VAL 56 CO -0.01 0.62 -0.24 0.50 0.02 0.00 0.00 177.57 178.46 1i0s h LYS 57 N 0.45 0.35 0.06 1.57 3.64 -1.03 0.50 116.57 122.11 1i0s h LYS 57 Ca -0.03 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1i0s h LYS 57 Cb 1.30 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1i0s h LYS 57 CO 0.14 0.57 -0.48 0.93 -2.27 0.00 0.00 179.45 178.34 1i0s h GLU 58 N 0.32 0.21 0.00 1.90 5.08 -1.10 -3.37 114.58 117.62 1i0s h GLU 58 Ca 0.05 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1i0s h GLU 58 Cb 0.60 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1i0s h GLU 58 CO 0.04 1.11 -0.81 0.66 -1.00 0.00 0.00 179.01 179.01 1i0s h SER 59 N -0.53 0.00 -0.91 1.42 4.64 -1.23 -3.48 113.55 113.46 1i0s h SER 59 Ca -0.08 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 1i0s h SER 59 Cb 1.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 1i0s h SER 59 CO 0.09 0.65 -0.19 0.61 -0.87 0.00 0.00 176.83 177.13 1i0s n GLY 60 N 1.29 0.31 3.34 -0.77 0.00 0.16 -4.99 105.19 104.54 1i0s n GLY 60 Ca -0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1i0s n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0s s ALA 61 N -2.36 -1.09 0.12 4.61 0.00 -1.25 -0.76 121.76 121.03 1i0s s ALA 61 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1i0s s ALA 61 Cb 0.00 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1i0s s ALA 61 CO 0.00 -0.45 0.40 -0.59 0.00 0.00 0.00 175.76 175.12 1i0s s PHE 62 N -2.35 -0.21 0.19 0.00 -0.12 -0.58 -4.63 117.98 110.29 1i0s s PHE 62 Ca -0.06 -0.09 0.11 0.00 -0.05 0.00 0.00 56.93 56.83 1i0s s PHE 62 Cb -0.01 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1i0s s PHE 62 CO -0.01 -0.69 -0.22 0.20 -0.05 0.00 0.00 175.22 174.44 1i0s s GLY 63 N -2.76 1.62 -0.07 1.99 0.00 -0.00 -0.67 107.32 107.44 1i0s s GLY 63 Ca 0.02 -1.61 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 1i0s s GLY 63 CO -0.11 -1.65 -0.04 0.14 0.00 0.00 0.00 173.10 171.44 1i0s s VAL 64 N -1.84 0.60 -0.23 1.40 1.01 0.38 -0.67 120.40 121.05 1i0s s VAL 64 Ca 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1i0s s VAL 64 Cb -0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1i0s s VAL 64 CO 0.09 0.27 0.04 -0.44 0.00 0.00 0.00 175.10 175.07 1i0s s SER 65 N 1.45 5.05 -0.40 3.32 0.01 0.14 -0.85 113.70 122.43 1i0s s SER 65 Ca -0.02 -0.18 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 1i0s s SER 65 Cb -0.13 -1.89 0.01 0.00 0.21 0.00 0.00 66.02 64.22 1i0s s SER 65 CO -0.03 0.02 0.73 -0.69 0.41 0.00 0.00 173.24 173.67 1i0s s VAL 66 N 1.29 4.76 0.35 3.43 1.01 -0.38 -1.72 120.40 129.14 1i0s s VAL 66 Ca 0.04 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 1i0s s VAL 66 Cb -0.15 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1i0s s VAL 66 CO 0.03 -0.51 1.14 -0.76 0.00 0.00 0.00 175.10 174.99 1i0s s LEU 67 N 3.02 4.35 0.46 3.92 1.43 -0.98 -0.35 118.68 130.52 1i0s s LEU 67 Ca 0.28 2.30 -0.17 0.00 -1.03 0.00 0.00 54.13 55.51 1i0s s LEU 67 Cb -0.13 -3.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 1i0s s LEU 67 CO 0.18 -0.42 0.92 -1.83 0.23 0.00 0.00 176.35 175.43 1i0s s GLU 68 N -1.95 4.00 0.28 1.70 -1.05 -0.28 -0.91 118.70 120.49 1i0s s GLU 68 Ca 0.51 0.90 0.02 0.00 -0.15 0.00 0.00 54.97 56.25 1i0s s GLU 68 Cb -0.31 -2.21 0.67 0.00 -0.44 0.00 0.00 34.13 31.84 1i0s s GLU 68 CO 0.39 -0.13 1.69 1.25 0.95 0.00 0.00 175.26 179.41 1i0s h LEU 69 N 1.36 0.20 -0.24 1.83 5.85 -0.97 -1.36 115.31 121.98 1i0s h LEU 69 Ca -0.48 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1i0s h LEU 69 Cb 1.18 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1i0s h LEU 69 CO 0.62 -0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 178.07 1i0s n GLU 70 N -5.10 1.15 -1.67 1.25 -0.58 -1.26 -4.84 120.64 109.59 1i0s n GLU 70 Ca 0.20 -0.24 -0.48 0.00 -0.42 0.00 0.00 57.16 56.23 1i0s n GLU 70 Cb 0.62 -1.10 -0.05 0.00 -0.57 0.00 0.00 31.44 30.33 1i0s n GLU 70 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1i0s n THR 71 N -0.36 0.25 -2.13 2.62 -1.04 -0.51 -4.90 114.28 108.21 1i0s n THR 71 Ca 0.05 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1i0s n THR 71 Cb 0.07 -1.62 -0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1i0s n THR 71 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1i0s s PRO 72 N 2.29 3.75 0.45 -2.82 0.04 -1.26 -4.91 135.00 132.54 1i0s s PRO 72 Ca 0.86 1.96 0.12 0.00 0.04 0.00 0.00 61.00 63.98 1i0s s PRO 72 Cb -0.71 -2.51 1.03 0.00 0.04 0.00 0.00 34.50 32.35 1i0s s PRO 72 CO 0.45 -0.61 2.05 0.52 0.04 0.00 0.00 177.00 179.45 1i0s h MET 73 N 2.19 0.35 -0.37 4.56 2.86 -2.00 -1.52 114.93 121.01 1i0s h MET 73 Ca -0.50 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.05 1i0s h MET 73 Cb 1.25 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1i0s h MET 73 CO 0.61 0.23 -0.08 1.05 1.06 0.00 0.00 176.91 179.78 1i0s h GLU 74 N 0.36 0.62 -0.22 1.72 9.09 -1.99 0.06 114.58 124.22 1i0s h GLU 74 Ca 0.17 -0.17 -0.05 0.00 0.05 0.00 0.00 59.36 59.35 1i0s h GLU 74 Cb 0.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1i0s h GLU 74 CO -0.04 0.70 -0.08 0.35 0.05 0.00 0.00 179.01 179.99 1i0s h PHE 75 N 0.57 0.49 -0.97 2.06 3.57 -1.66 -2.44 116.94 118.56 1i0s h PHE 75 Ca 0.11 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1i0s h PHE 75 Cb 0.48 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1i0s h PHE 75 CO 0.02 0.69 0.64 0.82 -2.23 0.00 0.00 178.31 178.25 1i0s h ILE 76 N 0.15 1.25 -0.37 1.41 2.04 -1.19 -2.08 117.51 118.72 1i0s h ILE 76 Ca 0.05 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1i0s h ILE 76 Cb 0.55 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1i0s h ILE 76 CO 0.03 0.24 0.25 1.23 0.00 0.00 0.00 178.15 179.90 1i0s h GLY 77 N 1.32 0.39 1.04 5.37 0.00 -0.63 -2.14 103.07 108.43 1i0s h GLY 77 Ca 0.36 -0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.67 1i0s h GLY 77 CO -0.08 0.11 0.38 3.21 0.00 0.00 0.00 176.54 180.16 1i0s h ARG 78 N 0.33 0.25 -0.44 4.80 3.08 -0.91 -1.89 114.38 119.60 1i0s h ARG 78 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1i0s h ARG 78 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1i0s h ARG 78 CO -0.03 0.17 0.00 1.19 -1.07 0.00 0.00 179.97 180.22 1i0s n PHE 79 N -4.45 1.50 -0.17 3.04 3.01 -0.81 -4.49 117.46 115.10 1i0s n PHE 79 Ca 0.09 -0.77 0.03 0.00 1.01 0.00 0.00 57.45 57.81 1i0s n PHE 79 Cb 0.44 -0.39 0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1i0s n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i0s n GLY 80 N 0.20 3.08 3.76 1.37 0.00 -0.71 -1.50 105.19 111.38 1i0s n GLY 80 Ca 0.24 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1i0s n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i0s s PHE 81 N -1.19 3.70 0.24 1.61 0.08 -1.26 -4.96 117.98 116.20 1i0s s PHE 81 Ca 0.12 1.27 -0.06 0.00 0.12 0.00 0.00 56.93 58.38 1i0s s PHE 81 Cb 0.07 -2.67 0.30 0.00 -0.57 0.00 0.00 43.02 40.15 1i0s s PHE 81 CO 0.06 0.33 1.87 0.07 -0.10 0.00 0.00 175.22 177.45 1i0s h ARG 82 N 5.66 1.03 -3.96 0.44 0.11 -1.98 -3.40 114.38 112.28 1i0s h ARG 82 Ca -0.45 -0.06 -0.47 0.00 0.10 0.00 0.00 59.98 59.10 1i0s h ARG 82 Cb 1.20 -0.23 -0.37 0.00 1.11 0.00 0.00 29.97 31.68 1i0s h ARG 82 CO 0.70 0.68 -0.78 0.21 0.10 0.00 0.00 179.97 180.88 1i0s s LYS 83 N -6.08 1.02 -0.12 0.08 2.47 -1.26 -4.76 119.74 111.09 1i0s s LYS 83 Ca -0.13 -0.07 -0.29 0.00 -1.56 0.00 0.00 55.97 53.92 1i0s s LYS 83 Cb 0.18 -1.22 0.07 0.00 -1.46 0.00 0.00 37.83 35.41 1i0s s LYS 83 CO 0.80 -0.26 0.72 -1.54 0.16 0.00 0.00 175.35 175.23 1i0s s SER 84 N 1.73 -0.66 0.84 1.43 1.04 -1.26 -5.17 113.70 111.65 1i0s s SER 84 Ca 0.03 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.23 1i0s s SER 84 Cb -0.13 0.77 0.10 0.00 0.10 0.00 0.00 66.02 66.86 1i0s s SER 84 CO -0.06 -0.49 1.14 -0.94 0.98 0.00 0.00 173.24 173.87 1i0s s SER 85 N -0.74 4.16 0.21 7.02 1.04 -1.26 -4.90 113.70 119.22 1i0s s SER 85 Ca -0.07 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 1i0s s SER 85 Cb -0.01 -1.62 0.15 0.00 0.10 0.00 0.00 66.02 64.64 1i0s s SER 85 CO 0.07 -2.14 1.82 -0.08 0.98 0.00 0.00 173.24 173.89 1i0s h GLU 86 N -1.21 1.08 -0.79 4.02 4.81 -2.00 -2.26 114.58 118.22 1i0s h GLU 86 Ca -0.48 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.58 1i0s h GLU 86 Cb 1.31 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1i0s h GLU 86 CO 0.63 0.81 0.35 0.35 -0.73 0.00 0.00 179.01 180.41 1i0s h PHE 87 N 1.07 1.17 -0.40 0.92 3.04 -1.94 -0.23 116.94 120.56 1i0s h PHE 87 Ca 0.27 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1i0s h PHE 87 Cb 0.05 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 1i0s h PHE 87 CO 0.00 0.87 0.15 0.93 -2.02 0.00 0.00 178.31 178.24 1i0s h GLU 88 N 1.13 0.57 0.09 1.11 5.08 -1.79 -0.93 114.58 119.85 1i0s h GLU 88 Ca 0.27 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 1i0s h GLU 88 Cb 0.17 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1i0s h GLU 88 CO -0.03 0.48 -0.73 0.87 -1.00 0.00 0.00 179.01 178.61 1i0s h LYS 89 N 0.57 0.20 -0.00 2.33 1.57 -1.00 -3.42 116.57 116.82 1i0s h LYS 89 Ca 0.14 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1i0s h LYS 89 Cb 0.13 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i0s h LYS 89 CO -0.01 1.16 -0.82 1.19 -0.57 0.00 0.00 179.45 180.40 1i0s n PHE 90 N -4.23 0.00 -1.72 -1.35 3.01 -0.14 -4.86 117.46 108.17 1i0s n PHE 90 Ca -0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.88 1i0s n PHE 90 Cb 0.74 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.18 1i0s n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1i0s s ASP 91 N -2.69 6.46 0.00 4.37 2.15 -0.36 -1.37 116.67 125.23 1i0s s ASP 91 Ca 0.08 2.68 0.00 0.00 0.43 0.00 0.00 52.55 55.75 1i0s s ASP 91 Cb 0.14 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1i0s s ASP 91 CO 0.73 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1i0s n GLY 92 N 4.34 0.71 3.79 2.66 0.00 -1.26 -5.03 105.19 110.41 1i0s n GLY 92 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1i0s n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i0s s VAL 93 N -2.75 5.29 -0.18 1.61 1.01 -0.47 -5.06 120.40 119.84 1i0s s VAL 93 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1i0s s VAL 93 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1i0s s VAL 93 CO 0.00 0.49 1.04 -0.70 0.00 0.00 0.00 175.10 175.93 1i0s s GLU 94 N -0.28 4.31 0.26 2.72 2.12 -1.26 -5.01 118.70 121.57 1i0s s GLU 94 Ca 0.18 1.38 -0.17 0.00 0.36 0.00 0.00 54.97 56.72 1i0s s GLU 94 Cb -0.14 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.65 1i0s s GLU 94 CO 0.06 -0.52 0.59 1.52 -0.54 0.00 0.00 175.26 176.37 1i0s s TYR 95 N 2.80 0.11 0.14 5.30 -0.85 -1.26 -1.44 117.35 122.14 1i0s s TYR 95 Ca 0.46 -0.51 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 1i0s s TYR 95 Cb -0.16 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.58 1i0s s TYR 95 CO 0.10 -1.11 0.14 -1.59 -1.52 0.00 0.00 175.55 171.58 1i0s s LYS 96 N -3.97 0.99 -0.17 -3.49 -2.85 -0.78 -4.92 119.74 104.55 1i0s s LYS 96 Ca 0.17 -1.31 -0.03 0.00 -1.00 0.00 0.00 55.97 53.80 1i0s s LYS 96 Cb -0.03 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1i0s s LYS 96 CO 0.08 -0.31 -0.06 0.99 0.10 0.00 0.00 175.35 176.15 1i0s s THR 97 N -4.00 3.57 0.81 3.79 2.01 -1.26 0.49 115.64 121.04 1i0s s THR 97 Ca 0.20 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 1i0s s THR 97 Cb 0.06 -2.57 0.12 0.00 0.01 0.00 0.00 72.50 70.12 1i0s s THR 97 CO 0.00 0.48 1.13 -0.83 -0.69 0.00 0.00 174.62 174.71 1i0s s GLY 98 N 0.68 1.72 0.61 4.40 0.00 -0.90 -4.91 107.32 108.92 1i0s s GLY 98 Ca -0.03 -1.12 0.32 0.00 0.00 0.00 0.00 44.72 43.89 1i0s s GLY 98 CO 0.02 -0.56 2.13 0.50 0.00 0.00 0.00 173.10 175.20 1i0s h LYS 99 N -0.99 0.00 0.00 2.90 1.57 -2.00 0.94 116.57 118.99 1i0s h LYS 99 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1i0s h LYS 99 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1i0s h LYS 99 CO 0.50 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.63 1i0s n THR 100 N -3.56 0.45 0.00 -0.16 -2.24 -1.26 -4.90 114.28 102.61 1i0s n THR 100 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1i0s n THR 100 Cb 0.27 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1i0s n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i0s n GLY 101 N 1.24 0.40 3.80 3.38 0.00 0.32 -4.97 105.19 109.35 1i0s n GLY 101 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1i0s n GLY 101 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i0s s VAL 102 N -2.12 4.14 -0.10 1.61 -7.23 -1.26 -4.68 120.40 110.75 1i0s s VAL 102 Ca 0.00 1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 61.43 1i0s s VAL 102 Cb 0.00 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1i0s s VAL 102 CO 0.00 -0.09 0.91 -2.16 -0.31 0.00 0.00 175.10 173.45 1i0s s PRO 103 N -2.66 4.41 -0.45 4.82 0.04 -1.26 -2.12 135.00 137.78 1i0s s PRO 103 Ca 0.58 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1i0s s PRO 103 Cb -0.16 -3.53 0.06 0.00 0.04 0.00 0.00 34.50 30.92 1i0s s PRO 103 CO 0.20 -0.22 0.37 -0.51 0.04 0.00 0.00 177.00 176.87 1i0s s LEU 104 N 1.73 5.48 -0.28 -3.56 1.43 0.18 -4.70 118.68 118.96 1i0s s LEU 104 Ca 0.44 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 1i0s s LEU 104 Cb -0.18 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1i0s s LEU 104 CO 0.18 -0.59 1.34 -0.69 0.23 0.00 0.00 176.35 176.82 1i0s s VAL 105 N 1.65 4.09 -0.35 -1.59 1.01 -1.26 -1.87 120.40 122.07 1i0s s VAL 105 Ca 0.04 1.23 0.22 0.00 0.00 0.00 0.00 61.98 63.47 1i0s s VAL 105 Cb -0.23 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.86 1i0s s VAL 105 CO 0.07 -0.44 0.78 0.35 0.00 0.00 0.00 175.10 175.87 1i0s n THR 106 N 6.20 0.15 -2.03 3.92 -2.24 -0.52 -4.72 114.28 115.04 1i0s n THR 106 Ca 0.15 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1i0s n THR 106 Cb 0.46 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1i0s n THR 106 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1i0s s GLN 107 N -3.34 4.27 -1.91 -0.78 0.74 -1.01 -2.28 119.66 115.35 1i0s s GLN 107 Ca -0.02 2.27 0.00 0.00 0.05 0.00 0.00 55.36 57.66 1i0s s GLN 107 Cb 0.14 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 31.09 1i0s s GLN 107 CO 0.85 -0.47 0.00 0.72 -0.55 0.00 0.00 175.29 175.85 1i0s n HIS 108 N 3.12 -0.04 -4.03 1.67 8.25 -1.26 -4.97 115.22 117.96 1i0s n HIS 108 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 1i0s n HIS 108 Cb 0.40 -3.23 -0.09 0.00 1.12 0.00 0.00 29.99 28.19 1i0s n HIS 108 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i0s s ALA 109 N -2.52 3.47 0.04 -1.41 0.00 -0.97 -1.13 121.76 119.25 1i0s s ALA 109 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1i0s s ALA 109 Cb 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 23.12 21.10 1i0s s ALA 109 CO 0.00 0.31 1.28 0.28 0.00 0.00 0.00 175.76 177.63 1i0s h VAL 110 N 4.62 1.44 -2.94 0.00 2.07 -0.99 -3.37 116.25 117.08 1i0s h VAL 110 Ca -0.42 -3.07 0.00 0.00 0.82 0.00 0.00 66.70 64.04 1i0s h VAL 110 Cb 1.18 2.71 -0.11 0.00 -1.52 0.00 0.00 31.29 33.54 1i0s h VAL 110 CO 0.67 0.82 0.24 0.00 0.02 0.00 0.00 177.57 179.31 1i0s s ALA 111 N -2.77 -1.57 0.04 1.67 0.00 -1.25 -0.10 121.76 117.78 1i0s s ALA 111 Ca 0.01 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1i0s s ALA 111 Cb 0.09 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 1i0s s ALA 111 CO 0.80 -0.80 -0.10 0.14 0.00 0.00 0.00 175.76 175.80 1i0s s VAL 112 N -3.72 0.79 -0.02 0.00 -7.23 -0.60 -1.24 120.40 108.38 1i0s s VAL 112 Ca 0.03 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1i0s s VAL 112 Cb -0.02 -0.76 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 1i0s s VAL 112 CO -0.10 -0.13 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.83 1i0s s ILE 113 N -0.95 0.76 -0.08 -0.62 1.01 -0.03 -1.36 121.20 119.93 1i0s s ILE 113 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1i0s s ILE 113 Cb -0.08 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 1i0s s ILE 113 CO 0.01 0.23 -0.22 -0.70 0.00 0.00 0.00 174.94 174.26 1i0s s GLU 114 N -0.02 2.81 0.03 2.79 2.12 -0.34 -0.47 118.70 125.62 1i0s s GLU 114 Ca 0.00 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.48 1i0s s GLU 114 Cb -0.06 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 1i0s s GLU 114 CO 0.00 0.32 -0.01 0.00 -0.54 0.00 0.00 175.26 175.03 1i0s s ALA 115 N 0.00 0.21 -0.14 6.30 0.00 0.16 -0.60 121.76 127.69 1i0s s ALA 115 Ca -0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1i0s s ALA 115 Cb -0.15 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1i0s s ALA 115 CO 0.05 -0.24 -0.04 -1.59 0.00 0.00 0.00 175.76 173.94 1i0s s LYS 116 N -2.35 3.50 0.02 0.00 -2.85 -0.64 -1.52 119.74 115.90 1i0s s LYS 116 Ca -0.08 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.08 1i0s s LYS 116 Cb -0.03 -2.87 -0.06 0.00 -2.06 0.00 0.00 37.83 32.81 1i0s s LYS 116 CO -0.04 0.34 1.36 0.08 0.10 0.00 0.00 175.35 177.19 1i0s s VAL 117 N 0.08 3.72 -0.12 1.79 1.01 0.06 -0.18 120.40 126.76 1i0s s VAL 117 Ca -0.00 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1i0s s VAL 117 Cb -0.13 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1i0s s VAL 117 CO 0.03 0.02 0.19 1.33 0.00 0.00 0.00 175.10 176.67 1i0s n VAL 118 N 4.45 0.00 -3.56 2.92 0.24 -0.23 -4.91 118.33 117.24 1i0s n VAL 118 Ca 0.12 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 1i0s n VAL 118 Cb 0.44 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 1i0s n VAL 118 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1i0s s LYS 119 N -2.15 1.02 -0.05 7.34 2.20 -1.13 -5.04 119.74 121.93 1i0s s LYS 119 Ca -0.01 0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1i0s s LYS 119 Cb 0.04 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.84 1i0s s LYS 119 CO 0.27 -0.34 -0.14 -1.21 -0.36 0.00 0.00 175.35 173.58 1i0s s GLU 120 N -1.66 1.62 -0.37 4.03 2.02 -1.26 -0.70 118.70 122.38 1i0s s GLU 120 Ca -0.09 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.42 1i0s s GLU 120 Cb -0.01 -1.38 0.10 0.00 0.10 0.00 0.00 34.13 32.94 1i0s s GLU 120 CO 0.05 0.13 0.13 0.00 0.02 0.00 0.00 175.26 175.58 1i0s s ASP 122 N 1.45 7.06 -0.23 0.00 -1.08 -1.26 -1.10 116.67 121.51 1i0s s ASP 122 Ca 0.07 1.56 0.11 0.00 -0.52 0.00 0.00 52.55 53.77 1i0s s ASP 122 Cb -0.21 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.14 1i0s s ASP 122 CO -0.05 -0.67 1.26 1.33 0.52 0.00 0.00 175.17 177.57 1i0s n VAL 123 N 5.16 2.28 0.00 1.11 0.24 -0.69 -4.98 118.33 121.44 1i0s n VAL 123 Ca 0.12 -3.17 0.00 0.00 -2.04 0.00 0.00 64.34 59.25 1i0s n VAL 123 Cb 0.46 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1i0s n VAL 123 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i0s n GLY 124 N -1.12 0.90 0.20 7.63 0.00 -1.26 -4.32 105.19 107.23 1i0s n GLY 124 Ca 0.22 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1i0s n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1i0s h THR 125 N 0.00 0.00 -3.22 2.61 1.35 -1.97 -3.46 112.91 108.22 1i0s h THR 125 Ca 0.00 -0.64 -0.39 0.00 -0.55 0.00 0.00 66.41 64.82 1i0s h THR 125 Cb 0.00 1.61 -0.14 0.00 -1.73 0.00 0.00 68.15 67.88 1i0s h THR 125 CO 0.00 0.00 -0.66 -1.00 -0.25 0.00 0.00 175.52 173.61 1i0s s HIS 126 N -3.34 1.60 -0.09 4.73 3.76 -1.26 -1.65 115.29 119.05 1i0s s HIS 126 Ca 0.06 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 1i0s s HIS 126 Cb 0.08 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1i0s s HIS 126 CO 0.58 0.01 -0.22 0.99 -0.85 0.00 0.00 174.74 175.25 1i0s s THR 127 N -3.36 1.86 -0.38 1.30 2.01 -0.50 -1.70 115.64 114.87 1i0s s THR 127 Ca 0.28 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1i0s s THR 127 Cb 0.05 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1i0s s THR 127 CO 0.09 0.52 0.44 -0.22 -0.69 0.00 0.00 174.62 174.76 1i0s s LEU 128 N 0.35 4.59 -0.11 4.42 2.96 -0.26 -1.80 118.68 128.83 1i0s s LEU 128 Ca -0.16 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1i0s s LEU 128 Cb -0.17 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1i0s s LEU 128 CO 0.07 -0.49 0.45 -0.36 -1.32 0.00 0.00 176.35 174.70 1i0s s PHE 129 N 2.20 3.53 -0.32 5.38 0.40 0.36 -0.76 117.98 128.76 1i0s s PHE 129 Ca 0.14 0.87 -0.10 0.00 -0.60 0.00 0.00 56.93 57.24 1i0s s PHE 129 Cb -0.16 -2.50 -0.00 0.00 0.51 0.00 0.00 43.02 40.87 1i0s s PHE 129 CO 0.13 0.23 0.17 0.08 0.70 0.00 0.00 175.22 176.53 1i0s s VAL 130 N 0.41 4.65 -0.05 -0.44 1.01 0.12 -1.48 120.40 124.62 1i0s s VAL 130 Ca 0.25 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1i0s s VAL 130 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1i0s s VAL 130 CO 0.10 0.02 -0.11 -0.83 0.00 0.00 0.00 175.10 174.28 1i0s s GLY 131 N 1.61 1.62 -0.21 4.51 0.00 0.74 -1.07 107.32 114.53 1i0s s GLY 131 Ca 0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 44.72 43.60 1i0s s GLY 131 CO 0.07 -0.73 0.67 1.85 0.00 0.00 0.00 173.10 174.96 1i0s s GLU 132 N -0.81 4.21 0.17 2.90 2.12 0.74 -0.24 118.70 127.79 1i0s s GLU 132 Ca 0.12 0.69 -0.31 0.00 0.36 0.00 0.00 54.97 55.83 1i0s s GLU 132 Cb -0.11 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 1i0s s GLU 132 CO 0.01 -0.30 1.49 0.00 -0.54 0.00 0.00 175.26 175.92 1i0s s ALA 133 N 2.10 3.69 -0.06 6.30 0.00 -0.49 -1.62 121.76 131.68 1i0s s ALA 133 Ca 0.30 1.29 0.11 0.00 0.00 0.00 0.00 51.96 53.66 1i0s s ALA 133 Cb -0.16 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.21 1i0s s ALA 133 CO 0.10 -0.72 0.17 1.33 0.00 0.00 0.00 175.76 176.64 1i0s n VAL 134 N 3.58 0.34 -3.64 0.00 0.24 0.24 -4.87 118.33 114.22 1i0s n VAL 134 Ca 0.12 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1i0s n VAL 134 Cb 0.40 -0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 1i0s n VAL 134 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1i0s s ASP 135 N -3.85 -0.23 -0.21 -1.34 3.68 -1.16 -5.01 116.67 108.55 1i0s s ASP 135 Ca -0.05 -0.30 -0.27 0.00 2.13 0.00 0.00 52.55 54.05 1i0s s ASP 135 Cb 0.06 0.47 0.11 0.00 -1.45 0.00 0.00 42.92 42.10 1i0s s ASP 135 CO 0.50 -0.84 0.90 0.00 0.13 0.00 0.00 175.17 175.86 1i0s s ALA 136 N -3.73 -1.89 -0.14 3.66 0.00 -1.26 -1.20 121.76 117.20 1i0s s ALA 136 Ca 0.02 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1i0s s ALA 136 Cb 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1i0s s ALA 136 CO -0.11 -0.30 0.37 -2.00 0.00 0.00 0.00 175.76 173.72 1i0s s GLU 137 N -0.37 0.42 -0.13 0.00 2.12 -0.47 -5.01 118.70 115.27 1i0s s GLU 137 Ca -0.01 0.54 -0.19 0.00 0.36 0.00 0.00 54.97 55.67 1i0s s GLU 137 Cb -0.03 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1i0s s GLU 137 CO 0.00 -0.06 0.51 0.08 -0.54 0.00 0.00 175.26 175.25 1i0s s VAL 138 N 0.33 5.16 -0.12 3.70 1.01 -1.26 -1.56 120.40 127.66 1i0s s VAL 138 Ca -0.01 1.01 0.10 0.00 0.00 0.00 0.00 61.98 63.08 1i0s s VAL 138 Cb -0.03 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1i0s s VAL 138 CO -0.01 0.29 0.03 0.18 0.00 0.00 0.00 175.10 175.59 1i0s n LEU 139 N 3.90 0.24 -4.14 3.92 4.77 0.86 -4.96 117.00 121.59 1i0s n LEU 139 Ca -0.06 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1i0s n LEU 139 Cb 0.51 0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 1i0s n LEU 139 CO 0.43 0.34 -0.35 -0.54 -1.33 0.00 0.00 177.39 175.94 1i0s s LYS 140 N -2.30 0.77 -0.93 3.23 1.02 -1.08 -5.02 119.74 115.43 1i0s s LYS 140 Ca -0.07 -1.32 -0.00 0.00 0.02 0.00 0.00 55.97 54.60 1i0s s LYS 140 Cb 0.04 0.06 0.32 0.00 -0.52 0.00 0.00 37.83 37.73 1i0s s LYS 140 CO 0.49 -0.11 1.54 -3.47 -0.92 0.00 0.00 175.35 172.88 1i0s n ASP 141 N -0.00 6.46 -4.30 2.83 4.64 -1.26 -4.88 116.55 120.04 1i0s n ASP 141 Ca -0.11 -3.63 -0.16 0.00 -1.38 0.00 0.00 54.79 49.51 1i0s n ASP 141 Cb 0.62 -1.05 -0.10 0.00 -1.04 0.00 0.00 41.12 39.55 1i0s n ASP 141 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1i0s s ALA 142 N -3.80 1.68 0.49 -1.67 0.00 -1.26 -5.14 121.76 112.05 1i0s s ALA 142 Ca 0.39 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1i0s s ALA 142 Cb 0.18 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 1i0s s ALA 142 CO -0.08 -0.17 1.01 -1.21 0.00 0.00 0.00 175.76 175.31 1i0s s GLU 143 N -3.80 3.87 0.49 0.00 0.41 -1.26 -4.94 118.70 113.46 1i0s s GLU 143 Ca 0.23 1.25 -0.10 0.00 -0.41 0.00 0.00 54.97 55.94 1i0s s GLU 143 Cb 0.04 -2.11 -0.05 0.00 -1.78 0.00 0.00 34.13 30.23 1i0s s GLU 143 CO 0.05 -0.36 0.86 0.14 -0.49 0.00 0.00 175.26 175.47 1i0s s VAL 144 N -2.14 4.77 -0.28 2.63 -7.23 -1.26 -0.57 120.40 116.32 1i0s s VAL 144 Ca 0.65 0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 61.30 1i0s s VAL 144 Cb -0.14 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 1i0s s VAL 144 CO 0.21 -0.79 0.38 -0.22 -0.31 0.00 0.00 175.10 174.36 1i0s s LEU 145 N -4.46 4.09 0.52 1.32 2.96 -0.09 -4.00 118.68 119.02 1i0s s LEU 145 Ca 0.52 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.61 1i0s s LEU 145 Cb -0.10 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1i0s s LEU 145 CO 0.41 -0.21 0.79 0.42 -1.32 0.00 0.00 176.35 176.43 1i0s s THR 146 N 2.07 3.88 0.25 3.68 -4.23 -1.26 -2.52 115.64 117.51 1i0s s THR 146 Ca 0.15 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1i0s s THR 146 Cb -0.16 -3.49 0.14 0.00 1.34 0.00 0.00 72.50 70.33 1i0s s THR 146 CO 0.10 -0.43 1.78 0.22 -0.54 0.00 0.00 174.62 175.76 1i0s h TYR 147 N 0.11 0.98 -0.57 3.99 3.20 -0.96 -1.01 116.97 122.71 1i0s h TYR 147 Ca -0.46 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.21 1i0s h TYR 147 Cb 1.25 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1i0s h TYR 147 CO 0.47 0.82 -0.02 0.00 -1.64 0.00 0.00 178.16 177.78 1i0s h ALA 148 N 1.24 0.89 -0.31 1.82 0.00 -1.93 -1.61 119.26 119.36 1i0s h ALA 148 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i0s h ALA 148 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1i0s h ALA 148 CO 0.00 0.65 0.19 -0.44 0.00 0.00 0.00 179.25 179.65 1i0s h ASP 149 N 0.91 0.38 -0.27 0.00 3.45 -1.83 -1.50 116.42 117.55 1i0s h ASP 149 Ca 0.16 -0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.61 1i0s h ASP 149 Cb 0.56 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.20 1i0s h ASP 149 CO 0.03 0.33 0.02 0.22 -1.57 0.00 0.00 179.24 178.27 1i0s h TYR 150 N 0.40 0.03 -0.84 4.55 3.20 -0.92 0.16 116.97 123.55 1i0s h TYR 150 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1i0s h TYR 150 Cb 0.02 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1i0s h TYR 150 CO -0.04 -0.02 0.44 0.45 -1.64 0.00 0.00 178.16 177.35 1i0s h HIS 151 N 0.11 1.16 0.58 -3.82 3.86 -1.04 0.16 115.15 116.16 1i0s h HIS 151 Ca 0.13 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1i0s h HIS 151 Cb 0.16 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 28.26 1i0s h HIS 151 CO -0.19 0.82 -0.28 -0.07 0.86 0.00 0.00 177.93 179.07 1i0s h LEU 152 N 1.18 -0.66 -0.92 2.43 4.07 -0.71 -3.04 115.31 117.66 1i0s h LEU 152 Ca 0.29 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.29 1i0s h LEU 152 Cb 0.05 0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 1i0s h LEU 152 CO -0.04 -0.31 0.58 0.24 -1.08 0.00 0.00 178.44 177.82 1i0s h MET 153 N -1.04 1.00 -0.96 1.13 2.86 -0.60 0.18 114.93 117.50 1i0s h MET 153 Ca -0.08 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.69 1i0s h MET 153 Cb 0.66 -0.23 -0.09 0.00 0.06 0.00 0.00 31.60 32.00 1i0s h MET 153 CO 0.13 0.66 0.61 -0.22 1.06 0.00 0.00 176.91 179.15 1i0s h LYS 154 N 1.03 0.60 -1.09 1.72 3.64 -0.69 0.67 116.57 122.46 1i0s h LYS 154 Ca 0.41 -0.04 -0.42 0.00 -1.27 0.00 0.00 60.65 59.33 1i0s h LYS 154 Cb 0.21 -0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 31.67 1i0s h LYS 154 CO -0.19 0.40 0.54 1.63 -2.27 0.00 0.00 179.45 179.56 1i0s n LYS 155 N -4.63 2.03 -2.91 1.90 5.02 -0.08 -4.89 118.16 114.61 1i0s n LYS 155 Ca 0.21 -2.28 -0.17 0.00 -2.02 0.00 0.00 58.31 54.05 1i0s n LYS 155 Cb 0.61 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1i0s n LYS 155 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i0s n GLY 156 N -0.56 -0.49 3.64 0.72 0.00 0.23 -4.96 105.19 103.77 1i0s n GLY 156 Ca 0.45 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 1i0s n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i0s s LYS 157 N -5.52 2.31 0.27 1.61 1.02 -0.42 -4.96 119.74 114.04 1i0s s LYS 157 Ca 0.20 -1.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 1i0s s LYS 157 Cb -0.11 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1i0s s LYS 157 CO 0.25 0.40 1.31 0.95 -0.92 0.00 0.00 175.35 177.34 1i0s s THR 158 N -2.07 2.94 0.71 2.17 -4.23 -1.26 -3.09 115.64 110.81 1i0s s THR 158 Ca 0.29 0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 61.51 1i0s s THR 158 Cb -0.08 -3.54 0.03 0.00 1.34 0.00 0.00 72.50 70.25 1i0s s THR 158 CO 0.19 0.17 1.16 -2.84 -0.54 0.00 0.00 174.62 172.76 1i0s s PRO 159 N -0.92 2.35 0.28 3.99 0.02 -1.26 -4.80 135.00 134.66 1i0s s PRO 159 Ca 0.53 1.60 0.02 0.00 0.02 0.00 0.00 61.00 63.16 1i0s s PRO 159 Cb -0.38 -1.88 0.40 0.00 0.02 0.00 0.00 34.50 32.67 1i0s s PRO 159 CO 0.45 -1.64 1.73 -0.09 -0.33 0.00 0.00 177.00 177.12 1i0s h ARG 160 N -0.26 0.53 0.00 5.54 2.43 -1.90 -1.04 114.38 119.68 1i0s h ARG 160 Ca -0.47 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1i0s h ARG 160 Cb 1.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1i0s h ARG 160 CO 0.51 0.71 0.00 -2.37 -1.51 0.00 0.00 179.97 177.31 1i0s n THR 161 N -4.14 0.00 0.00 0.20 5.66 -1.26 -0.34 114.28 114.40 1i0s n THR 161 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1i0s n THR 161 Cb 0.39 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 1i0s n THR 161 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i0s n ALA 162 N -0.76 0.87 0.42 1.79 0.00 -0.43 -4.75 120.51 117.65 1i0s n ALA 162 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1i0s n ALA 162 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1i0s n ALA 162 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i0s n THR 163 N -0.49 0.09 -3.94 0.00 -2.24 0.54 -4.88 114.28 103.36 1i0s n THR 163 Ca 0.00 -0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 1i0s n THR 163 Cb 0.00 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 1i0s n THR 163 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1i0s s VAL 164 N -3.28 5.28 -0.04 2.28 1.01 -0.67 -5.09 120.40 119.89 1i0s s VAL 164 Ca -0.00 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1i0s s VAL 164 Cb 0.14 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1i0s s VAL 164 CO 0.86 0.58 -0.17 -0.47 0.00 0.00 0.00 175.10 175.91 1i0s s TYR 165 N -0.74 1.66 -0.17 5.22 5.04 -1.26 -4.92 117.35 122.18 1i0s s TYR 165 Ca 0.13 -0.45 -0.04 0.00 -2.44 0.00 0.00 57.07 54.27 1i0s s TYR 165 Cb -0.12 -1.11 -0.03 0.00 0.35 0.00 0.00 41.96 41.05 1i0s s TYR 165 CO 0.03 -0.14 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.01 1i0s s PHE 166 N -0.03 3.02 -0.31 4.97 0.40 -1.26 -5.09 117.98 119.68 1i0s s PHE 166 Ca -0.02 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1i0s s PHE 166 Cb -0.11 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 1i0s s PHE 166 CO 0.02 -0.11 0.31 -2.00 0.70 0.00 0.00 175.22 174.14 1i0s s GLU 167 N 0.56 3.73 0.00 0.44 2.12 -1.26 -5.32 118.70 118.97 1i0s s GLU 167 Ca -0.03 -0.33 0.29 0.00 0.36 0.00 0.00 54.97 55.26 1i0s s GLU 167 Cb -0.14 -3.74 1.72 0.00 0.26 0.00 0.00 34.13 32.23 1i0s s GLU 167 CO 0.02 -0.39 2.06 -1.13 -0.54 0.00 0.00 175.26 175.28