#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8t n ASP 3 N 0.00 0.75 0.22 0.00 4.64 -1.26 -4.81 116.55 116.09 1u8t n ASP 3 Ca 0.00 1.16 0.15 0.00 -1.38 0.00 0.00 54.79 54.72 1u8t n ASP 3 Cb 0.00 -1.20 0.57 0.00 -1.04 0.00 0.00 41.12 39.45 1u8t n ASP 3 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1u8t h LYS 4 N 2.04 0.00 -0.01 -0.67 6.56 -2.00 -2.00 116.57 120.49 1u8t h LYS 4 Ca -0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1u8t h LYS 4 Cb 1.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 1u8t h LYS 4 CO 0.62 0.00 -0.23 -1.91 -2.06 0.00 0.00 179.45 175.87 1u8t n GLU 5 N -2.79 1.25 -1.71 3.15 2.13 -1.26 -3.79 120.64 117.61 1u8t n GLU 5 Ca 0.02 -0.85 -0.66 0.00 0.66 0.00 0.00 57.16 56.33 1u8t n GLU 5 Cb 0.31 -1.48 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 1u8t n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1u8t n LEU 6 N -0.14 1.13 -4.59 4.31 7.94 -0.76 -4.67 117.00 120.23 1u8t n LEU 6 Ca 0.13 1.18 -0.43 0.00 -1.11 0.00 0.00 56.01 55.78 1u8t n LEU 6 Cb 0.40 -0.91 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 1u8t n LEU 6 CO 0.23 -0.96 0.83 -0.75 -1.11 0.00 0.00 177.39 175.63 1u8t s LYS 7 N 2.60 3.73 0.07 1.96 2.20 -1.26 -4.42 119.74 124.63 1u8t s LYS 7 Ca 1.02 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 57.11 1u8t s LYS 7 Cb -1.43 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 30.99 1u8t s LYS 7 CO 0.77 -1.13 0.23 -0.06 -0.36 0.00 0.00 175.35 174.80 1u8t s PHE 8 N 3.79 3.51 -0.19 4.03 0.40 0.02 -0.57 117.98 128.97 1u8t s PHE 8 Ca 0.40 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 1u8t s PHE 8 Cb -0.10 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1u8t s PHE 8 CO 0.24 0.57 -0.14 -1.17 0.70 0.00 0.00 175.22 175.42 1u8t s LEU 9 N -2.55 2.33 -0.31 -0.37 2.96 -0.12 -0.77 118.68 119.85 1u8t s LEU 9 Ca 0.35 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 1u8t s LEU 9 Cb -0.13 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1u8t s LEU 9 CO 0.28 -0.09 0.18 -0.69 -1.32 0.00 0.00 176.35 174.70 1u8t s VAL 10 N 1.33 4.94 -0.22 1.68 1.01 0.16 -0.53 120.40 128.78 1u8t s VAL 10 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1u8t s VAL 10 Cb -0.15 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1u8t s VAL 10 CO -0.10 0.11 -0.09 -0.69 0.00 0.00 0.00 175.10 174.34 1u8t s VAL 11 N 1.68 2.95 -0.20 2.92 1.01 0.11 -1.55 120.40 127.33 1u8t s VAL 11 Ca 0.06 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1u8t s VAL 11 Cb -0.17 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1u8t s VAL 11 CO 0.08 0.41 0.72 -0.62 0.00 0.00 0.00 175.10 175.70 1u8t s ASP 12 N 1.40 -0.71 0.42 3.32 -1.08 -0.86 -1.01 116.67 118.15 1u8t s ASP 12 Ca 0.05 1.18 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 1u8t s ASP 12 Cb -0.14 1.13 1.13 0.00 -1.46 0.00 0.00 42.92 43.58 1u8t s ASP 12 CO -0.06 -0.37 1.85 0.07 0.52 0.00 0.00 175.17 177.18 1u8t h LYS 13 N 4.28 0.00 -4.99 4.34 2.10 -1.81 -3.37 116.57 117.11 1u8t h LYS 13 Ca -0.28 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.74 1u8t h LYS 13 Cb 1.15 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.32 1u8t h LYS 13 CO 0.17 0.00 -0.48 -0.06 -2.00 0.00 0.00 179.45 177.08 1u8t s PHE 14 N -3.48 3.25 0.21 0.07 2.99 -1.26 -4.98 117.98 114.79 1u8t s PHE 14 Ca 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 56.93 57.07 1u8t s PHE 14 Cb 0.09 -2.38 0.27 0.00 0.00 0.00 0.00 43.02 41.01 1u8t s PHE 14 CO 0.50 -0.10 1.79 0.66 -0.00 0.00 0.00 175.22 178.07 1u8t h SER 15 N 8.09 0.50 0.00 1.36 4.64 -1.99 -0.61 113.55 125.54 1u8t h SER 15 Ca -0.35 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1u8t h SER 15 Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1u8t h SER 15 CO 0.59 0.31 0.00 0.41 -0.87 0.00 0.00 176.83 177.27 1u8t n THR 16 N -4.83 0.00 0.00 2.95 -1.04 -1.26 -0.86 114.28 109.24 1u8t n THR 16 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1u8t n THR 16 Cb 0.21 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1u8t n THR 16 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u8t n ARG 18 N 0.66 0.00 -0.30 -2.82 1.74 -0.24 -1.50 116.66 114.21 1u8t n ARG 18 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1u8t n ARG 18 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 1u8t n ARG 18 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1u8t h ARG 19 N 0.00 1.08 0.50 5.56 2.43 -1.26 0.11 114.38 122.81 1u8t h ARG 19 Ca 0.00 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1u8t h ARG 19 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1u8t h ARG 19 CO 0.00 0.75 -0.24 0.82 -1.51 0.00 0.00 179.97 179.78 1u8t h ILE 20 N 1.10 0.49 -0.59 1.20 2.04 -1.53 -0.65 117.51 119.58 1u8t h ILE 20 Ca 0.29 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1u8t h ILE 20 Cb -0.08 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1u8t h ILE 20 CO -0.06 0.03 0.29 0.58 0.00 0.00 0.00 178.15 178.99 1u8t h VAL 21 N -0.77 0.91 -0.86 1.67 2.07 -1.80 0.16 116.25 117.63 1u8t h VAL 21 Ca -0.07 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1u8t h VAL 21 Cb 0.56 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1u8t h VAL 21 CO 0.11 0.10 0.54 -0.09 0.02 0.00 0.00 177.57 178.25 1u8t h ARG 22 N 0.54 0.97 -0.13 1.57 2.43 -0.66 -0.43 114.38 118.67 1u8t h ARG 22 Ca 0.27 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1u8t h ARG 22 Cb 0.22 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1u8t h ARG 22 CO -0.21 0.64 -0.47 -0.91 -1.51 0.00 0.00 179.97 177.52 1u8t h ASN 23 N 1.00 0.34 -0.56 -3.80 4.21 0.21 -1.46 115.58 115.53 1u8t h ASN 23 Ca 0.36 -0.16 -0.11 0.00 1.21 0.00 0.00 56.30 57.61 1u8t h ASN 23 Cb 0.11 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1u8t h ASN 23 CO -0.15 0.76 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.61 1u8t h LEU 24 N 0.25 1.03 -0.88 1.61 3.38 0.01 -1.72 115.31 119.00 1u8t h LEU 24 Ca 0.02 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1u8t h LEU 24 Cb 0.92 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1u8t h LEU 24 CO 0.08 1.12 0.46 -0.07 0.09 0.00 0.00 178.44 180.12 1u8t h LEU 25 N 0.94 1.11 -1.15 1.67 3.38 -0.89 -2.40 115.31 117.97 1u8t h LEU 25 Ca 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1u8t h LEU 25 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1u8t h LEU 25 CO 0.04 0.91 0.25 0.50 0.09 0.00 0.00 178.44 180.23 1u8t h LYS 26 N 1.23 0.85 0.00 1.13 3.64 -0.76 -0.84 116.57 121.82 1u8t h LYS 26 Ca 0.31 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1u8t h LYS 26 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1u8t h LYS 26 CO -0.05 0.68 -0.24 0.93 -2.27 0.00 0.00 179.45 178.50 1u8t h GLU 27 N 0.84 0.00 -0.00 1.90 5.08 -0.83 -1.87 114.58 119.70 1u8t h GLU 27 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1u8t h GLU 27 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1u8t h GLU 27 CO -0.02 0.24 -0.04 1.28 -1.00 0.00 0.00 179.01 179.48 1u8t n LEU 28 N -3.84 0.49 0.00 1.33 4.77 -0.44 -4.90 117.00 114.41 1u8t n LEU 28 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1u8t n LEU 28 Cb 0.34 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1u8t n LEU 28 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1u8t n GLY 29 N 1.15 0.63 3.42 -0.72 0.00 -0.70 -5.04 105.19 103.92 1u8t n GLY 29 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1u8t n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8t s PHE 30 N -2.37 3.10 -0.12 1.61 0.40 -0.51 -4.81 117.98 115.28 1u8t s PHE 30 Ca 0.00 -0.71 0.22 0.00 -0.60 0.00 0.00 56.93 55.84 1u8t s PHE 30 Cb 0.00 -3.49 -0.30 0.00 0.51 0.00 0.00 43.02 39.74 1u8t s PHE 30 CO 0.00 -0.99 0.56 0.09 0.70 0.00 0.00 175.22 175.58 1u8t n ASN 31 N 5.89 0.14 -4.55 1.36 3.02 -1.25 -3.08 115.26 116.80 1u8t n ASN 31 Ca -0.09 -0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.99 1u8t n ASN 31 Cb 0.44 1.79 -0.01 0.00 -0.61 0.00 0.00 39.78 41.40 1u8t n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1u8t s ASN 32 N -4.48 6.80 -0.07 6.41 3.84 -1.26 -4.95 114.94 121.23 1u8t s ASN 32 Ca -0.06 -2.31 0.03 0.00 0.21 0.00 0.00 52.86 50.73 1u8t s ASN 32 Cb 0.14 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.31 1u8t s ASN 32 CO 0.90 -1.16 -0.16 -0.69 -2.79 0.00 0.00 177.10 173.20 1u8t s VAL 33 N 3.80 1.40 0.22 -5.21 1.01 -1.26 -0.80 120.40 119.57 1u8t s VAL 33 Ca 0.49 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.92 1u8t s VAL 33 Cb 0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1u8t s VAL 33 CO 0.02 0.41 -0.15 -1.61 0.00 0.00 0.00 175.10 173.77 1u8t s GLU 34 N 0.44 1.84 0.19 2.72 0.41 0.05 -4.98 118.70 119.37 1u8t s GLU 34 Ca -0.13 -1.50 0.10 0.00 -0.41 0.00 0.00 54.97 53.03 1u8t s GLU 34 Cb -0.15 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 1u8t s GLU 34 CO 0.04 0.39 -0.20 -1.21 -0.49 0.00 0.00 175.26 173.79 1u8t s GLU 35 N -3.11 1.41 -0.05 1.61 2.02 -1.26 -0.67 118.70 118.65 1u8t s GLU 35 Ca 0.26 -1.50 -0.13 0.00 0.02 0.00 0.00 54.97 53.61 1u8t s GLU 35 Cb -0.07 -1.54 0.02 0.00 0.10 0.00 0.00 34.13 32.65 1u8t s GLU 35 CO 0.14 0.31 0.31 0.00 0.02 0.00 0.00 175.26 176.04 1u8t s ALA 36 N -2.05 -0.77 -1.39 5.21 0.00 -0.59 -4.91 121.76 117.26 1u8t s ALA 36 Ca 0.20 0.51 0.20 0.00 0.00 0.00 0.00 51.96 52.86 1u8t s ALA 36 Cb -0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 23.12 22.82 1u8t s ALA 36 CO 0.09 -0.22 0.92 -0.85 0.00 0.00 0.00 175.76 175.69 1u8t n GLU 37 N 1.84 0.98 -3.84 0.00 0.28 -1.26 -2.04 120.64 116.60 1u8t n GLU 37 Ca -0.19 -0.47 -0.07 0.00 -0.16 0.00 0.00 57.16 56.27 1u8t n GLU 37 Cb 0.57 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 32.01 1u8t n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1u8t s ASP 38 N -2.56 -0.17 0.37 -1.84 1.47 -1.26 -3.66 116.67 109.01 1u8t s ASP 38 Ca 0.12 -0.77 0.04 0.00 1.18 0.00 0.00 52.55 53.13 1u8t s ASP 38 Cb 0.16 0.76 0.72 0.00 -0.34 0.00 0.00 42.92 44.21 1u8t s ASP 38 CO 0.66 -1.43 2.00 1.23 0.68 0.00 0.00 175.17 178.31 1u8t h GLY 39 N 2.00 0.71 0.58 2.12 0.00 -1.83 0.73 103.07 107.37 1u8t h GLY 39 Ca -0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1u8t h GLY 39 CO 0.29 0.28 -0.00 -2.08 0.00 0.00 0.00 176.54 175.02 1u8t h VAL 40 N 0.67 1.32 -0.80 4.60 2.07 -1.93 -1.44 116.25 120.74 1u8t h VAL 40 Ca 0.17 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1u8t h VAL 40 Cb 0.00 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1u8t h VAL 40 CO -0.03 0.25 0.49 -0.78 0.02 0.00 0.00 177.57 177.52 1u8t h ASP 41 N -0.43 0.79 0.09 0.57 3.58 -1.91 -0.65 116.42 118.46 1u8t h ASP 41 Ca -0.00 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1u8t h ASP 41 Cb 0.42 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1u8t h ASP 41 CO 0.00 0.52 -0.04 0.00 -2.88 0.00 0.00 179.24 176.84 1u8t h ALA 42 N 1.36 -0.12 -0.52 -0.78 0.00 -0.77 -1.19 119.26 117.24 1u8t h ALA 42 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1u8t h ALA 42 Cb 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u8t h ALA 42 CO -0.15 -0.56 0.27 -0.07 0.00 0.00 0.00 179.25 178.75 1u8t h LEU 43 N -0.13 0.63 -0.72 0.00 3.38 -0.88 0.99 115.31 118.58 1u8t h LEU 43 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1u8t h LEU 43 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1u8t h LEU 43 CO 0.02 0.52 0.38 0.78 0.09 0.00 0.00 178.44 180.23 1u8t h ASN 44 N 0.72 0.91 -0.15 -0.43 2.35 -0.69 -1.10 115.58 117.18 1u8t h ASN 44 Ca 0.18 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1u8t h ASN 44 Cb 0.04 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1u8t h ASN 44 CO -0.03 0.75 -0.11 0.11 -1.65 0.00 0.00 177.43 176.51 1u8t h LYS 45 N 0.99 0.33 -0.37 0.81 1.57 -0.25 -3.18 116.57 116.48 1u8t h LYS 45 Ca 0.25 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1u8t h LYS 45 Cb 0.06 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1u8t h LYS 45 CO -0.04 0.69 0.25 -0.07 -0.57 0.00 0.00 179.45 179.72 1u8t h LEU 46 N -0.02 0.14 -2.01 2.94 3.38 -0.58 -1.43 115.31 117.73 1u8t h LEU 46 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u8t h LEU 46 Cb 0.61 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u8t h LEU 46 CO 0.03 0.09 -0.00 1.56 0.09 0.00 0.00 178.44 180.20 1u8t h GLN 47 N 0.16 0.00 0.00 1.13 7.50 -1.18 -1.60 115.11 121.12 1u8t h GLN 47 Ca 0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1u8t h GLN 47 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1u8t h GLN 47 CO -0.02 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.31 1u8t n ALA 48 N -2.09 1.60 -0.34 3.87 0.00 -0.54 -4.97 120.51 118.04 1u8t n ALA 48 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1u8t n ALA 48 Cb 0.22 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1u8t n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8t n GLY 49 N -0.15 -1.82 1.64 0.00 0.00 -0.60 -4.97 105.19 99.29 1u8t n GLY 49 Ca 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1u8t n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8t n GLY 50 N -2.44 1.80 3.78 -0.02 0.00 -1.26 -4.98 105.19 102.06 1u8t n GLY 50 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1u8t n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u8t s TYR 51 N -2.44 2.88 0.00 1.61 1.51 -1.26 -4.56 117.35 115.08 1u8t s TYR 51 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 1u8t s TYR 51 Cb 0.00 -3.30 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1u8t s TYR 51 CO 0.00 -1.36 0.10 0.41 -1.11 0.00 0.00 175.55 173.59 1u8t n GLY 52 N 0.29 0.51 3.63 0.71 0.00 0.27 -4.93 105.19 105.67 1u8t n GLY 52 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1u8t n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u8t s PHE 53 N -0.42 -0.60 -0.07 1.61 5.36 -0.97 -4.38 117.98 118.51 1u8t s PHE 53 Ca 0.00 1.43 0.04 0.00 -0.96 0.00 0.00 56.93 57.43 1u8t s PHE 53 Cb 0.00 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1u8t s PHE 53 CO 0.00 -0.31 -0.18 0.08 -1.46 0.00 0.00 175.22 173.35 1u8t s VAL 54 N 0.17 1.57 -0.24 3.12 1.01 0.02 -0.95 120.40 125.09 1u8t s VAL 54 Ca 0.01 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1u8t s VAL 54 Cb -0.05 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1u8t s VAL 54 CO -0.02 0.45 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1u8t s ILE 55 N 0.37 2.35 -0.00 2.22 1.01 0.31 -0.47 121.20 126.99 1u8t s ILE 55 Ca -0.13 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.25 1u8t s ILE 55 Cb -0.16 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1u8t s ILE 55 CO 0.05 0.16 -0.15 -0.55 0.00 0.00 0.00 174.94 174.44 1u8t s SER 56 N 1.21 1.82 0.78 3.58 0.15 -0.37 0.06 113.70 120.91 1u8t s SER 56 Ca -0.03 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.20 1u8t s SER 56 Cb -0.18 -0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1u8t s SER 56 CO -0.07 0.17 1.09 -0.62 1.20 0.00 0.00 173.24 175.02 1u8t s ASP 57 N -0.46 4.70 -0.06 5.45 2.15 -0.18 -0.22 116.67 128.05 1u8t s ASP 57 Ca 0.06 1.30 -0.22 0.00 0.43 0.00 0.00 52.55 54.11 1u8t s ASP 57 Cb -0.06 -2.05 -0.31 0.00 -0.30 0.00 0.00 42.92 40.20 1u8t s ASP 57 CO -0.00 -1.84 0.86 -0.25 -0.17 0.00 0.00 175.17 173.77 1u8t h TRP 58 N -1.00 0.52 -3.16 -5.34 2.91 -1.78 -3.31 115.95 104.79 1u8t h TRP 58 Ca -0.46 -0.38 -0.65 0.00 1.13 0.00 0.00 58.89 58.52 1u8t h TRP 58 Cb 1.26 -0.02 -0.10 0.00 -0.51 0.00 0.00 29.16 29.79 1u8t h TRP 58 CO 0.48 1.32 -0.59 -0.80 -1.03 0.00 0.00 178.44 177.82 1u8t s ASN 59 N -6.95 5.56 0.30 2.65 0.01 -1.26 -1.48 114.94 113.77 1u8t s ASN 59 Ca -0.14 0.10 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 1u8t s ASN 59 Cb 0.01 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 40.08 1u8t s ASN 59 CO 0.82 0.26 0.23 -2.16 -1.51 0.00 0.00 177.10 174.74 1u8t s PRO 61 N -1.77 2.74 0.00 -0.60 0.04 -1.26 -4.59 135.00 129.55 1u8t s PRO 61 Ca 0.23 -1.24 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1u8t s PRO 61 Cb -0.12 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1u8t s PRO 61 CO 0.14 0.22 0.00 0.09 0.04 0.00 0.00 177.00 177.49 1u8t n ASN 62 N -1.26 0.00 -3.62 6.66 3.02 -1.26 -4.50 115.26 114.31 1u8t n ASN 62 Ca -0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.31 1u8t n ASN 62 Cb 0.59 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 1u8t n ASN 62 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1u8t s ASP 64 N -0.92 1.66 0.17 6.41 1.47 -1.26 -4.97 116.67 119.24 1u8t s ASP 64 Ca 0.00 -1.69 -0.14 0.00 1.18 0.00 0.00 52.55 51.90 1u8t s ASP 64 Cb 0.00 0.52 0.07 0.00 -0.34 0.00 0.00 42.92 43.17 1u8t s ASP 64 CO 0.00 -1.01 1.82 1.23 0.68 0.00 0.00 175.17 177.90 1u8t h GLY 65 N 2.14 0.70 1.01 2.12 0.00 -1.36 -0.49 103.07 107.19 1u8t h GLY 65 Ca -0.28 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1u8t h GLY 65 CO 0.42 0.23 0.50 -2.00 0.00 0.00 0.00 176.54 175.70 1u8t h LEU 66 N 0.64 0.89 -0.70 3.11 5.85 -1.86 0.11 115.31 123.35 1u8t h LEU 66 Ca 0.19 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 1u8t h LEU 66 Cb -0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1u8t h LEU 66 CO -0.06 0.65 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.25 1u8t h GLU 67 N 1.05 0.59 0.07 1.25 4.57 -1.88 -1.26 114.58 118.97 1u8t h GLU 67 Ca 0.28 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u8t h GLU 67 Cb -0.11 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1u8t h GLU 67 CO -0.06 0.86 -0.03 1.25 -1.18 0.00 0.00 179.01 179.85 1u8t h LEU 68 N 0.50 -0.08 -0.60 1.64 5.85 -0.48 -1.09 115.31 121.05 1u8t h LEU 68 Ca 0.05 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1u8t h LEU 68 Cb 0.85 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1u8t h LEU 68 CO 0.07 0.02 0.27 0.25 -0.34 0.00 0.00 178.44 178.71 1u8t h LEU 69 N -0.18 0.34 -0.61 2.25 5.85 -0.66 -0.61 115.31 121.70 1u8t h LEU 69 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1u8t h LEU 69 Cb 0.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1u8t h LEU 69 CO 0.02 0.22 0.25 0.11 -0.34 0.00 0.00 178.44 178.69 1u8t h LYS 70 N 0.50 0.91 -0.46 1.25 1.57 -1.00 -1.17 116.57 118.17 1u8t h LYS 70 Ca 0.29 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1u8t h LYS 70 Cb 0.28 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1u8t h LYS 70 CO -0.24 0.77 0.13 1.15 -0.57 0.00 0.00 179.45 180.69 1u8t h THR 71 N 0.85 1.23 -0.28 -0.16 2.02 -0.68 -1.89 112.91 113.99 1u8t h THR 71 Ca 0.20 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.64 1u8t h THR 71 Cb 0.20 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1u8t h THR 71 CO -0.02 0.28 0.12 0.40 0.37 0.00 0.00 175.52 176.67 1u8t h ILE 72 N 0.61 0.96 0.00 3.11 2.04 -0.91 -2.16 117.51 121.16 1u8t h ILE 72 Ca 0.15 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1u8t h ILE 72 Cb 0.29 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1u8t h ILE 72 CO -0.00 0.05 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 1u8t h ARG 73 N 0.27 0.00 -0.02 2.37 2.47 -0.98 -1.84 114.38 116.65 1u8t h ARG 73 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1u8t h ARG 73 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1u8t h ARG 73 CO -0.10 0.05 -0.13 0.00 0.56 0.00 0.00 179.97 180.35 1u8t n ALA 74 N -2.34 2.81 -2.56 0.04 0.00 -0.73 -4.67 120.51 113.05 1u8t n ALA 74 Ca -0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1u8t n ALA 74 Cb 0.14 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 1u8t n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u8t s ASP 75 N -2.18 6.42 0.23 0.00 -1.08 -0.69 -4.96 116.67 114.40 1u8t s ASP 75 Ca 0.30 0.10 -0.08 0.00 -0.52 0.00 0.00 52.55 52.34 1u8t s ASP 75 Cb 0.20 -2.33 0.38 0.00 -1.46 0.00 0.00 42.92 39.71 1u8t s ASP 75 CO 0.40 -0.63 1.66 1.23 0.52 0.00 0.00 175.17 178.36 1u8t h GLY 76 N 9.45 0.82 -0.13 2.66 0.00 -1.88 0.78 103.07 114.77 1u8t h GLY 76 Ca -0.26 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1u8t h GLY 76 CO 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 177.17 1u8t n ALA 77 N -2.79 1.88 0.00 3.60 0.00 -1.26 -4.85 120.51 117.10 1u8t n ALA 77 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1u8t n ALA 77 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1u8t n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u8t n SER 79 N -0.40 0.00 -0.77 0.00 3.41 0.27 -4.97 113.62 111.16 1u8t n SER 79 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1u8t n SER 79 Cb 0.01 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.15 1u8t n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8t n ALA 80 N -0.47 2.65 -1.66 7.33 0.00 -1.26 -4.54 120.51 122.56 1u8t n ALA 80 Ca 0.00 -0.62 -0.50 0.00 0.00 0.00 0.00 53.44 52.32 1u8t n ALA 80 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1u8t n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u8t n LEU 81 N 0.85 2.80 -4.76 0.00 7.94 -1.26 -4.91 117.00 117.66 1u8t n LEU 81 Ca 0.14 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.69 1u8t n LEU 81 Cb 0.52 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.13 1u8t n LEU 81 CO 0.17 -0.40 1.02 -2.84 -1.11 0.00 0.00 177.39 174.24 1u8t s PRO 82 N 2.13 4.32 -0.12 1.96 0.02 -1.26 -4.90 135.00 137.15 1u8t s PRO 82 Ca 0.87 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 64.13 1u8t s PRO 82 Cb -0.80 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 30.67 1u8t s PRO 82 CO 0.48 -0.27 -0.03 0.08 -0.33 0.00 0.00 177.00 176.92 1u8t s VAL 83 N -0.74 0.78 0.26 3.83 1.01 -1.26 -0.80 120.40 123.48 1u8t s VAL 83 Ca 0.52 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1u8t s VAL 83 Cb -0.40 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1u8t s VAL 83 CO 0.50 0.21 0.28 -0.11 0.00 0.00 0.00 175.10 175.97 1u8t n LEU 84 N 5.00 0.00 -3.63 3.92 7.94 0.38 -0.84 117.00 129.77 1u8t n LEU 84 Ca -0.10 -1.25 -0.04 0.00 -1.11 0.00 0.00 56.01 53.51 1u8t n LEU 84 Cb 0.49 -0.11 -0.06 0.00 0.53 0.00 0.00 43.42 44.28 1u8t n LEU 84 CO 0.14 -0.50 0.35 -0.69 -1.11 0.00 0.00 177.39 175.58 1u8t s VAL 86 N -0.98 -0.40 0.10 1.96 1.01 0.70 -1.24 120.40 121.56 1u8t s VAL 86 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1u8t s VAL 86 Cb -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1u8t s VAL 86 CO 0.14 0.00 -0.17 0.28 0.00 0.00 0.00 175.10 175.34 1u8t s THR 87 N 2.13 1.47 -0.19 3.92 -1.32 -0.62 -2.16 115.64 118.87 1u8t s THR 87 Ca -0.08 -1.55 0.17 0.00 -1.21 0.00 0.00 61.69 59.02 1u8t s THR 87 Cb -0.08 -1.44 0.13 0.00 -1.51 0.00 0.00 72.50 69.60 1u8t s THR 87 CO -0.19 -0.21 1.51 0.00 -2.21 0.00 0.00 174.62 173.52 1u8t h ALA 88 N 3.93 0.77 -3.14 11.08 0.00 -1.88 -2.23 119.26 127.79 1u8t h ALA 88 Ca -0.43 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 53.97 1u8t h ALA 88 Cb 1.19 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.67 1u8t h ALA 88 CO 0.43 0.47 -0.51 -1.21 0.00 0.00 0.00 179.25 178.44 1u8t s GLU 89 N -3.06 0.29 -0.94 0.00 2.02 -1.26 -4.75 118.70 111.00 1u8t s GLU 89 Ca 0.04 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 1u8t s GLU 89 Cb 0.07 0.13 0.30 0.00 0.10 0.00 0.00 34.13 34.74 1u8t s GLU 89 CO 0.72 -0.05 1.37 0.00 0.02 0.00 0.00 175.26 177.32 1u8t n ALA 90 N 2.51 5.13 -2.20 5.21 0.00 -1.26 -4.89 120.51 125.00 1u8t n ALA 90 Ca -0.16 -4.75 -0.28 0.00 0.00 0.00 0.00 53.44 48.25 1u8t n ALA 90 Cb 0.58 -1.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 1u8t n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1u8t s LYS 91 N -3.15 3.59 0.26 0.00 -2.85 -1.26 -4.96 119.74 111.38 1u8t s LYS 91 Ca 0.36 0.32 -0.10 0.00 -1.00 0.00 0.00 55.97 55.55 1u8t s LYS 91 Cb 0.12 -2.34 0.39 0.00 -2.06 0.00 0.00 37.83 33.94 1u8t s LYS 91 CO 0.01 -0.23 1.58 -0.22 0.10 0.00 0.00 175.35 176.59 1u8t h LYS 92 N 0.33 -0.00 0.46 1.78 3.64 -2.02 -3.20 116.57 117.56 1u8t h LYS 92 Ca -0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1u8t h LYS 92 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1u8t h LYS 92 CO 0.62 -0.00 -0.22 0.93 -2.27 0.00 0.00 179.45 178.51 1u8t h GLU 93 N -0.00 -0.59 0.00 1.90 3.07 -2.00 -3.26 114.58 113.70 1u8t h GLU 93 Ca 0.43 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.36 1u8t h GLU 93 Cb 0.66 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 1u8t h GLU 93 CO -0.93 -0.39 -0.43 -0.91 -1.40 0.00 0.00 179.01 174.94 1u8t h ASN 94 N -0.66 -1.31 -0.13 1.42 -0.26 -1.93 -1.83 115.58 110.87 1u8t h ASN 94 Ca -0.06 0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 1u8t h ASN 94 Cb 0.47 0.51 -0.02 0.00 -1.06 0.00 0.00 38.32 38.22 1u8t h ASN 94 CO 0.10 -0.47 -0.01 0.40 -1.06 0.00 0.00 177.43 176.40 1u8t h ILE 95 N -0.59 0.90 -0.79 2.81 2.04 -1.74 -0.86 117.51 119.27 1u8t h ILE 95 Ca 0.04 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1u8t h ILE 95 Cb 0.66 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 1u8t h ILE 95 CO -0.32 0.01 0.45 0.40 0.00 0.00 0.00 178.15 178.69 1u8t h ILE 96 N 0.03 0.93 -0.30 -0.67 2.04 -1.58 0.37 117.51 118.32 1u8t h ILE 96 Ca 0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1u8t h ILE 96 Cb 0.08 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1u8t h ILE 96 CO -0.11 0.14 0.18 0.00 0.00 0.00 0.00 178.15 178.36 1u8t h ALA 97 N 1.43 0.38 -0.41 1.87 0.00 -0.90 0.31 119.26 121.95 1u8t h ALA 97 Ca 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1u8t h ALA 97 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1u8t h ALA 97 CO -0.23 -0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.13 1u8t h ALA 98 N 1.08 0.52 -0.41 0.00 0.00 -0.25 0.44 119.26 120.65 1u8t h ALA 98 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1u8t h ALA 98 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1u8t h ALA 98 CO -0.02 0.03 0.23 0.00 0.00 0.00 0.00 179.25 179.49 1u8t h ALA 99 N 1.09 0.51 0.00 0.00 0.00 0.11 -0.03 119.26 120.95 1u8t h ALA 99 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u8t h ALA 99 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u8t h ALA 99 CO -0.03 -0.11 -0.08 1.96 0.00 0.00 0.00 179.25 180.99 1u8t h GLN 100 N 0.47 0.00 -0.01 0.00 7.50 0.03 -1.59 115.11 121.51 1u8t h GLN 100 Ca 0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1u8t h GLN 100 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 1u8t h GLN 100 CO -0.09 0.08 -0.05 0.00 -1.50 0.00 0.00 178.83 177.28 1u8t n ALA 101 N -2.43 2.69 -0.17 3.87 0.00 0.11 -4.92 120.51 119.65 1u8t n ALA 101 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1u8t n ALA 101 Cb 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1u8t n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8t n GLY 102 N 1.18 0.90 3.78 0.00 0.00 -0.60 -4.54 105.19 105.91 1u8t n GLY 102 Ca 0.19 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1u8t n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8t s ALA 103 N -2.00 3.57 0.20 4.61 0.00 -0.17 -4.87 121.76 123.10 1u8t s ALA 103 Ca 0.00 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.58 1u8t s ALA 103 Cb 0.00 -3.61 0.10 0.00 0.00 0.00 0.00 23.12 19.61 1u8t s ALA 103 CO 0.00 -1.06 1.46 0.77 0.00 0.00 0.00 175.76 176.93 1u8t h SER 104 N 3.00 0.22 -5.81 0.00 0.02 -1.33 -3.45 113.55 106.19 1u8t h SER 104 Ca -0.51 -0.16 0.34 0.00 -0.84 0.00 0.00 61.79 60.62 1u8t h SER 104 Cb 1.24 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 1u8t h SER 104 CO 0.64 0.90 0.89 -0.83 -1.14 0.00 0.00 176.83 177.29 1u8t s GLY 105 N -4.46 -0.12 0.04 -3.77 0.00 -1.18 -4.90 107.32 92.92 1u8t s GLY 105 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 1u8t s GLY 105 CO 0.81 5.37 0.06 0.66 0.00 0.00 0.00 173.10 180.01 1u8t s TRP 106 N -2.04 0.26 -0.04 1.90 -2.14 -1.26 -4.42 118.94 111.20 1u8t s TRP 106 Ca 0.29 -0.60 -0.05 0.00 2.66 0.00 0.00 56.10 58.40 1u8t s TRP 106 Cb -0.01 -0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.19 1u8t s TRP 106 CO -0.00 -0.35 0.14 0.54 -2.66 0.00 0.00 176.95 174.61 1u8t s VAL 107 N -2.71 0.02 -0.20 -0.66 0.11 -1.26 -5.02 120.40 110.68 1u8t s VAL 107 Ca -0.04 -0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 58.67 1u8t s VAL 107 Cb -0.01 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1u8t s VAL 107 CO -0.05 -0.10 0.37 -0.69 -3.33 0.00 0.00 175.10 171.29 1u8t s VAL 108 N -0.31 5.22 0.15 2.04 1.01 -1.26 -1.60 120.40 125.65 1u8t s VAL 108 Ca -0.04 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1u8t s VAL 108 Cb -0.03 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1u8t s VAL 108 CO 0.00 0.27 0.50 -1.59 0.00 0.00 0.00 175.10 174.29 1u8t s LYS 109 N 1.22 3.85 0.45 2.72 -2.85 -0.84 -3.62 119.74 120.68 1u8t s LYS 109 Ca 0.18 0.32 -0.21 0.00 -1.00 0.00 0.00 55.97 55.25 1u8t s LYS 109 Cb -0.14 -2.87 -0.09 0.00 -2.06 0.00 0.00 37.83 32.67 1u8t s LYS 109 CO 0.07 0.45 1.01 -1.25 0.10 0.00 0.00 175.35 175.74 1u8t s PRO 110 N -2.22 4.00 0.04 1.78 0.04 -1.26 -4.75 135.00 132.63 1u8t s PRO 110 Ca 0.39 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1u8t s PRO 110 Cb -0.14 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1u8t s PRO 110 CO 0.20 -0.25 -0.16 -0.59 0.04 0.00 0.00 177.00 176.23 1u8t s PHE 111 N -1.96 1.44 0.69 0.56 -0.12 -1.24 -5.15 117.98 112.20 1u8t s PHE 111 Ca 0.64 -0.35 -0.10 0.00 -0.05 0.00 0.00 56.93 57.07 1u8t s PHE 111 Cb -0.15 -0.86 0.02 0.00 -0.63 0.00 0.00 43.02 41.40 1u8t s PHE 111 CO 0.19 0.05 1.04 0.95 -0.05 0.00 0.00 175.22 177.41 1u8t s THR 112 N -0.78 3.26 0.35 -4.49 -4.23 -1.26 -4.88 115.64 103.60 1u8t s THR 112 Ca 0.04 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1u8t s THR 112 Cb -0.08 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.66 1u8t s THR 112 CO 0.01 -0.46 1.99 0.00 -0.54 0.00 0.00 174.62 175.62 1u8t h ALA 113 N -0.56 1.60 -0.20 3.99 0.00 -1.99 -0.77 119.26 121.32 1u8t h ALA 113 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1u8t h ALA 113 Cb 1.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1u8t h ALA 113 CO 0.63 0.33 0.08 0.00 0.00 0.00 0.00 179.25 180.29 1u8t h ALA 114 N 1.60 0.26 -0.16 0.00 0.00 -1.96 0.47 119.26 119.48 1u8t h ALA 114 Ca 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1u8t h ALA 114 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1u8t h ALA 114 CO -0.07 -0.14 0.06 1.15 0.00 0.00 0.00 179.25 180.25 1u8t h THR 115 N 0.17 0.98 -0.62 0.00 2.02 -1.74 -1.21 112.91 112.51 1u8t h THR 115 Ca 0.07 -0.05 0.10 0.00 0.77 0.00 0.00 66.41 67.29 1u8t h THR 115 Cb 0.18 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1u8t h THR 115 CO -0.01 0.03 0.23 0.25 0.37 0.00 0.00 175.52 176.40 1u8t h LEU 116 N 0.15 0.24 -0.55 2.58 5.85 -0.98 -1.54 115.31 121.04 1u8t h LEU 116 Ca 0.06 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1u8t h LEU 116 Cb 0.03 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1u8t h LEU 116 CO -0.06 0.14 0.31 -0.08 -0.34 0.00 0.00 178.44 178.41 1u8t h GLU 117 N 0.42 0.58 -0.47 1.25 4.81 -0.22 -0.42 114.58 120.53 1u8t h GLU 117 Ca 0.31 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1u8t h GLU 117 Cb 0.39 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1u8t h GLU 117 CO -0.31 0.38 0.29 0.93 -0.73 0.00 0.00 179.01 179.57 1u8t h GLU 118 N 0.60 0.56 -0.25 1.92 4.39 -0.38 -0.59 114.58 120.84 1u8t h GLU 118 Ca 0.24 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1u8t h GLU 118 Cb 0.10 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1u8t h GLU 118 CO -0.14 0.37 0.15 0.87 -1.16 0.00 0.00 179.01 179.11 1u8t h LYS 119 N 0.58 0.33 0.02 2.33 1.79 -0.81 -2.33 116.57 118.47 1u8t h LYS 119 Ca 0.18 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1u8t h LYS 119 Cb -0.01 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1u8t h LYS 119 CO -0.07 0.25 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.47 1u8t h LEU 120 N 0.32 -0.02 -0.48 2.94 3.38 -0.81 -2.36 115.31 118.28 1u8t h LEU 120 Ca 0.09 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1u8t h LEU 120 Cb -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1u8t h LEU 120 CO -0.02 0.11 0.10 0.78 0.09 0.00 0.00 178.44 179.51 1u8t h ASN 121 N -0.15 0.01 -0.76 -0.43 2.35 -1.07 0.65 115.58 116.18 1u8t h ASN 121 Ca -0.00 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1u8t h ASN 121 Cb 0.14 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 1u8t h ASN 121 CO 0.00 0.04 0.43 0.11 -1.65 0.00 0.00 177.43 176.36 1u8t h LYS 122 N 0.24 0.75 -0.38 0.81 1.79 -1.34 0.89 116.57 119.33 1u8t h LYS 122 Ca 0.24 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.53 1u8t h LYS 122 Cb 0.31 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1u8t h LYS 122 CO -0.31 0.50 -0.31 0.82 -1.08 0.00 0.00 179.45 179.07 1u8t h ILE 123 N 0.77 1.28 -0.12 1.86 2.04 -0.72 -0.84 117.51 121.79 1u8t h ILE 123 Ca 0.35 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1u8t h ILE 123 Cb 0.25 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1u8t h ILE 123 CO -0.21 0.49 0.07 -0.26 0.00 0.00 0.00 178.15 178.24 1u8t h PHE 124 N 0.70 0.13 -0.12 1.37 0.05 0.25 -0.81 116.94 118.50 1u8t h PHE 124 Ca 0.08 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.88 1u8t h PHE 124 Cb 0.86 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.75 1u8t h PHE 124 CO 0.05 0.08 0.03 0.93 -0.18 0.00 0.00 178.31 179.22 1u8t h GLU 125 N 0.15 0.09 -0.69 1.51 5.08 0.84 -1.47 114.58 120.08 1u8t h GLU 125 Ca 0.04 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1u8t h GLU 125 Cb -0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1u8t h GLU 125 CO -0.02 0.06 0.45 -0.22 -1.00 0.00 0.00 179.01 178.29 1u8t h LYS 126 N 0.09 0.67 -0.52 2.33 1.63 -0.92 -2.85 116.57 117.00 1u8t h LYS 126 Ca 0.05 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1u8t h LYS 126 Cb 0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1u8t h LYS 126 CO -0.06 0.44 0.00 1.28 -3.45 0.00 0.00 179.45 177.66 1u8t n LEU 127 N -4.48 3.53 0.00 5.20 4.77 -0.33 -5.09 117.00 120.60 1u8t n LEU 127 Ca 0.10 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 1u8t n LEU 127 Cb 0.24 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u8t n LEU 127 CO 0.34 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.84