#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 3.78 0.32 0.00 4.64 -1.26 -4.83 116.55 119.20 1u8t n ASP 3 Ca 0.00 0.66 0.22 0.00 -1.38 0.00 0.00 54.79 54.29 1u8t n ASP 3 Cb 0.00 -1.52 1.13 0.00 -1.04 0.00 0.00 41.12 39.69 1u8t n ASP 3 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1u8t h LYS 4 N 12.04 0.00 -0.04 -0.67 2.10 -1.99 -0.74 116.57 127.28 1u8t h LYS 4 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1u8t h LYS 4 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1u8t h LYS 4 CO 0.95 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.79 1u8t n GLU 5 N -3.02 1.86 -1.62 0.07 -0.58 -1.26 -4.23 120.64 111.86 1u8t n GLU 5 Ca -0.02 -1.25 -0.51 0.00 -0.42 0.00 0.00 57.16 54.95 1u8t n GLU 5 Cb 0.09 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.43 1u8t n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1u8t n LEU 6 N 0.52 1.99 -4.62 -4.62 7.94 -0.29 -4.78 117.00 113.15 1u8t n LEU 6 Ca 0.18 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.77 1u8t n LEU 6 Cb 0.42 -1.23 -0.05 0.00 0.53 0.00 0.00 43.42 43.09 1u8t n LEU 6 CO 0.16 -0.85 0.51 -0.75 -1.11 0.00 0.00 177.39 175.35 1u8t s LYS 7 N 0.88 4.03 0.06 1.96 2.20 -1.26 -4.40 119.74 123.22 1u8t s LYS 7 Ca 0.85 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.06 1u8t s LYS 7 Cb -0.91 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 31.68 1u8t s LYS 7 CO 0.47 -0.55 0.11 -0.06 -0.36 0.00 0.00 175.35 174.95 1u8t s PHE 8 N 2.74 3.29 -0.20 4.03 0.40 -0.05 -0.56 117.98 127.64 1u8t s PHE 8 Ca 0.30 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1u8t s PHE 8 Cb -0.15 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.74 1u8t s PHE 8 CO 0.10 0.54 -0.18 -1.17 0.70 0.00 0.00 175.22 175.22 1u8t s LEU 9 N -2.29 2.40 -0.34 -0.37 2.96 -0.02 -0.82 118.68 120.19 1u8t s LEU 9 Ca 0.29 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1u8t s LEU 9 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1u8t s LEU 9 CO 0.22 -0.05 0.18 -0.69 -1.32 0.00 0.00 176.35 174.69 1u8t s VAL 10 N 1.26 4.63 -0.29 1.68 1.01 0.25 -0.96 120.40 127.98 1u8t s VAL 10 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1u8t s VAL 10 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1u8t s VAL 10 CO -0.11 -0.07 0.00 -0.69 0.00 0.00 0.00 175.10 174.23 1u8t s VAL 11 N 1.59 3.19 -0.20 2.92 1.01 0.67 -0.60 120.40 128.98 1u8t s VAL 11 Ca 0.04 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 1u8t s VAL 11 Cb -0.18 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.56 1u8t s VAL 11 CO 0.07 0.02 0.82 -0.62 0.00 0.00 0.00 175.10 175.39 1u8t s ASP 12 N 1.33 -0.60 0.51 3.32 2.15 -0.83 -1.22 116.67 121.33 1u8t s ASP 12 Ca -0.02 0.98 0.30 0.00 0.43 0.00 0.00 52.55 54.23 1u8t s ASP 12 Cb -0.18 0.92 1.13 0.00 -0.30 0.00 0.00 42.92 44.49 1u8t s ASP 12 CO -0.01 -0.33 1.90 0.50 -0.17 0.00 0.00 175.17 177.05 1u8t h LYS 13 N 3.94 0.00 -5.21 4.34 3.64 -1.82 -3.39 116.57 118.07 1u8t h LYS 13 Ca -0.27 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.49 1u8t h LYS 13 Cb 1.16 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.84 1u8t h LYS 13 CO 0.19 0.08 -0.19 -0.06 -2.27 0.00 0.00 179.45 177.20 1u8t s PHE 14 N -3.63 3.26 0.35 1.91 2.99 -1.26 -4.95 117.98 116.66 1u8t s PHE 14 Ca 0.01 0.47 0.07 0.00 0.00 0.00 0.00 56.93 57.49 1u8t s PHE 14 Cb 0.09 -2.60 0.76 0.00 0.00 0.00 0.00 43.02 41.27 1u8t s PHE 14 CO 0.59 -0.22 1.90 0.77 -0.00 0.00 0.00 175.22 178.25 1u8t h SER 15 N 8.08 0.69 0.00 1.36 0.02 -2.00 -1.82 113.55 119.88 1u8t h SER 15 Ca -0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1u8t h SER 15 Cb 1.16 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1u8t h SER 15 CO 0.66 0.39 0.00 0.41 -1.14 0.00 0.00 176.83 177.16 1u8t n THR 16 N -4.53 0.01 0.00 -2.27 -1.04 -1.26 -0.79 114.28 104.41 1u8t n THR 16 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1u8t n THR 16 Cb 0.37 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.53 0.00 -0.14 -2.82 1.74 -0.69 -1.55 116.66 113.73 1u8t n ARG 18 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1u8t n ARG 18 Cb 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 1u8t n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8t h ARG 19 N 0.00 0.59 0.01 5.56 3.08 -1.23 0.15 114.38 122.55 1u8t h ARG 19 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1u8t h ARG 19 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1u8t h ARG 19 CO 0.00 0.48 -0.07 0.82 -1.07 0.00 0.00 179.97 180.12 1u8t h ILE 20 N 0.55 0.82 -0.26 2.04 2.04 -1.55 0.16 117.51 121.30 1u8t h ILE 20 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1u8t h ILE 20 Cb 0.06 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1u8t h ILE 20 CO -0.02 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.87 1u8t h VAL 21 N -0.13 1.09 -0.47 1.67 2.07 -1.79 -1.29 116.25 117.41 1u8t h VAL 21 Ca 0.03 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1u8t h VAL 21 Cb 0.16 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1u8t h VAL 21 CO -0.07 0.09 0.24 -0.09 0.02 0.00 0.00 177.57 177.76 1u8t h ARG 22 N 0.33 0.46 -0.68 1.57 2.43 -0.42 -0.95 114.38 117.13 1u8t h ARG 22 Ca 0.09 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1u8t h ARG 22 Cb 0.01 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1u8t h ARG 22 CO -0.02 0.31 0.44 -0.91 -1.51 0.00 0.00 179.97 178.28 1u8t h ASN 23 N 0.48 0.76 -0.65 -3.80 2.35 -0.39 -0.54 115.58 113.79 1u8t h ASN 23 Ca 0.20 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1u8t h ASN 23 Cb 0.10 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1u8t h ASN 23 CO -0.14 0.55 0.06 -0.07 -1.65 0.00 0.00 177.43 176.18 1u8t h LEU 24 N 0.90 1.06 -0.64 1.61 3.38 -0.81 -0.41 115.31 120.40 1u8t h LEU 24 Ca 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u8t h LEU 24 Cb -0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 1u8t h LEU 24 CO -0.06 1.08 0.39 -0.07 0.09 0.00 0.00 178.44 179.87 1u8t h LEU 25 N 1.02 0.77 -1.00 1.67 3.38 -0.82 -1.03 115.31 119.30 1u8t h LEU 25 Ca 0.19 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1u8t h LEU 25 Cb 0.49 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1u8t h LEU 25 CO 0.02 0.59 0.66 0.50 0.09 0.00 0.00 178.44 180.30 1u8t h LYS 26 N 0.87 1.27 -0.57 1.13 3.64 -0.61 0.61 116.57 122.91 1u8t h LYS 26 Ca 0.23 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1u8t h LYS 26 Cb -0.04 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.46 1u8t h LYS 26 CO -0.04 0.84 0.38 0.93 -2.27 0.00 0.00 179.45 179.29 1u8t h GLU 27 N 1.31 0.65 -0.00 1.90 4.39 0.17 -0.33 114.58 122.67 1u8t h GLU 27 Ca 0.38 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1u8t h GLU 27 Cb -0.08 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1u8t h GLU 27 CO -0.10 0.43 -0.07 1.28 -1.16 0.00 0.00 179.01 179.39 1u8t n LEU 28 N -4.47 0.36 0.00 1.33 4.77 -0.49 -4.90 117.00 113.60 1u8t n LEU 28 Ca 0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1u8t n LEU 28 Cb 0.13 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1u8t n LEU 28 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1u8t n GLY 29 N 1.25 0.88 3.49 -0.72 0.00 -0.13 -5.07 105.19 104.89 1u8t n GLY 29 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.23 -0.29 1.61 0.40 0.09 -4.86 117.98 116.16 1u8t s PHE 30 Ca 0.00 -0.43 0.12 0.00 -0.60 0.00 0.00 56.93 56.02 1u8t s PHE 30 Cb 0.00 -2.55 -0.16 0.00 0.51 0.00 0.00 43.02 40.82 1u8t s PHE 30 CO 0.00 -0.50 0.39 0.09 0.70 0.00 0.00 175.22 175.90 1u8t n ASN 31 N 5.14 1.36 -4.52 1.36 3.02 -1.26 -2.69 115.26 117.67 1u8t n ASN 31 Ca -0.12 -0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 53.61 1u8t n ASN 31 Cb 0.48 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 1u8t n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1u8t n ASN 32 N -1.60 5.04 -4.21 6.41 2.85 -1.26 -4.94 115.26 117.54 1u8t n ASN 32 Ca 0.00 -2.94 -0.27 0.00 -0.11 0.00 0.00 54.58 51.26 1u8t n ASN 32 Cb 0.25 -1.68 -0.16 0.00 1.24 0.00 0.00 39.78 39.44 1u8t n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1u8t s VAL 33 N 3.18 1.60 0.21 3.44 1.01 -1.26 -0.87 120.40 127.71 1u8t s VAL 33 Ca 0.50 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1u8t s VAL 33 Cb 0.02 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1u8t s VAL 33 CO 0.05 0.45 -0.19 -0.70 0.00 0.00 0.00 175.10 174.71 1u8t s GLU 34 N -0.44 1.46 0.19 2.72 2.12 0.00 -4.97 118.70 119.79 1u8t s GLU 34 Ca 0.07 -1.58 0.10 0.00 0.36 0.00 0.00 54.97 53.92 1u8t s GLU 34 Cb -0.08 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 1u8t s GLU 34 CO -0.01 0.30 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.61 1u8t s GLU 35 N -3.16 1.41 -0.03 4.30 2.02 -1.26 -0.58 118.70 121.40 1u8t s GLU 35 Ca 0.23 -1.51 -0.07 0.00 0.02 0.00 0.00 54.97 53.63 1u8t s GLU 35 Cb -0.05 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.66 1u8t s GLU 35 CO 0.10 0.31 0.17 0.00 0.02 0.00 0.00 175.26 175.86 1u8t s ALA 36 N -2.07 -0.41 -0.33 5.21 0.00 0.24 -4.89 121.76 119.50 1u8t s ALA 36 Ca 0.20 0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.54 1u8t s ALA 36 Cb -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1u8t s ALA 36 CO 0.09 -0.16 1.04 -1.91 0.00 0.00 0.00 175.76 174.81 1u8t n GLU 37 N 2.04 0.52 -3.84 0.00 2.13 -1.26 -1.96 120.64 118.27 1u8t n GLU 37 Ca -0.19 0.08 -0.09 0.00 0.66 0.00 0.00 57.16 57.62 1u8t n GLU 37 Cb 0.57 -1.75 0.01 0.00 0.27 0.00 0.00 31.44 30.54 1u8t n GLU 37 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1u8t s ASP 38 N -4.93 0.00 0.33 4.31 1.47 -1.26 -3.41 116.67 113.19 1u8t s ASP 38 Ca 0.00 -1.05 0.02 0.00 1.18 0.00 0.00 52.55 52.70 1u8t s ASP 38 Cb 0.11 0.81 0.59 0.00 -0.34 0.00 0.00 42.92 44.09 1u8t s ASP 38 CO 0.79 -1.58 1.98 1.23 0.68 0.00 0.00 175.17 178.27 1u8t h GLY 39 N 2.01 1.03 0.62 2.12 0.00 -1.87 -0.60 103.07 106.38 1u8t h GLY 39 Ca -0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1u8t h GLY 39 CO 0.37 0.33 -0.01 -2.08 0.00 0.00 0.00 176.54 175.15 1u8t h VAL 40 N 0.93 1.31 -0.92 4.60 2.07 -1.90 -0.38 116.25 121.96 1u8t h VAL 40 Ca 0.29 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1u8t h VAL 40 Cb -0.00 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1u8t h VAL 40 CO -0.08 0.25 0.60 0.44 0.02 0.00 0.00 177.57 178.80 1u8t h ASP 41 N -0.36 1.00 0.66 0.57 3.45 -1.92 -0.72 116.42 119.09 1u8t h ASP 41 Ca 0.00 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1u8t h ASP 41 Cb 0.41 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1u8t h ASP 41 CO 0.00 0.69 -0.40 0.00 -1.57 0.00 0.00 179.24 177.96 1u8t h ALA 42 N 1.37 -1.02 -0.85 3.45 0.00 -0.98 -2.10 119.26 119.13 1u8t h ALA 42 Ca 0.36 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1u8t h ALA 42 Cb -0.02 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1u8t h ALA 42 CO -0.11 -1.09 0.45 1.25 0.00 0.00 0.00 179.25 179.75 1u8t h LEU 43 N -1.00 0.58 -0.54 0.00 5.85 -0.85 -0.17 115.31 119.18 1u8t h LEU 43 Ca -0.08 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1u8t h LEU 43 Cb 0.80 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1u8t h LEU 43 CO 0.09 0.27 0.26 -1.13 -0.34 0.00 0.00 178.44 177.58 1u8t h ASN 44 N 0.68 0.34 -0.21 1.25 -1.24 -0.89 0.87 115.58 116.38 1u8t h ASN 44 Ca 0.45 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.42 1u8t h ASN 44 Cb 0.58 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 1u8t h ASN 44 CO -0.33 0.23 -0.19 0.11 -1.29 0.00 0.00 177.43 175.96 1u8t h LYS 45 N 0.49 0.51 -0.42 6.67 1.57 -0.56 -3.09 116.57 121.73 1u8t h LYS 45 Ca 0.25 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1u8t h LYS 45 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1u8t h LYS 45 CO -0.20 0.83 0.16 -0.07 -0.57 0.00 0.00 179.45 179.60 1u8t h LEU 46 N 0.19 0.18 -2.25 2.94 3.38 -0.75 -1.31 115.31 117.70 1u8t h LEU 46 Ca 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1u8t h LEU 46 Cb 0.72 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u8t h LEU 46 CO 0.05 0.14 -0.05 -0.61 0.09 0.00 0.00 178.44 178.05 1u8t h GLN 47 N 0.33 0.00 0.00 1.13 5.75 -0.87 0.31 115.11 121.76 1u8t h GLN 47 Ca 0.19 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1u8t h GLN 47 Cb 0.17 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1u8t h GLN 47 CO -0.19 0.05 -0.09 0.00 -2.65 0.00 0.00 178.83 175.95 1u8t h ALA 48 N 1.95 1.09 0.00 3.38 0.00 -1.15 -3.49 119.26 121.04 1u8t h ALA 48 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u8t h ALA 48 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u8t h ALA 48 CO 0.01 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1u8t n GLY 49 N -0.28 0.43 0.52 0.00 0.00 0.10 -5.05 105.19 100.90 1u8t n GLY 49 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.69 1.66 3.81 -0.02 0.00 -1.26 -4.88 105.19 105.18 1u8t n GLY 50 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.37 3.40 0.00 1.61 1.51 -1.26 -4.50 117.35 115.73 1u8t s TYR 51 Ca 0.00 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 1u8t s TYR 51 Cb 0.00 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1u8t s TYR 51 CO 0.00 -0.05 0.28 0.41 -1.11 0.00 0.00 175.55 175.09 1u8t n GLY 52 N -0.34 -0.42 3.64 0.71 0.00 0.28 -4.94 105.19 104.12 1u8t n GLY 52 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.15 -0.56 -0.07 1.61 5.36 -1.08 -4.40 117.98 118.69 1u8t s PHE 53 Ca 0.00 1.33 0.04 0.00 -0.96 0.00 0.00 56.93 57.34 1u8t s PHE 53 Cb 0.00 0.35 -0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1u8t s PHE 53 CO 0.00 -0.27 -0.20 0.08 -1.46 0.00 0.00 175.22 173.37 1u8t s VAL 54 N 0.38 1.72 -0.19 3.12 1.01 -0.38 -0.84 120.40 125.22 1u8t s VAL 54 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1u8t s VAL 54 Cb -0.05 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1u8t s VAL 54 CO -0.06 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.74 1u8t s ILE 55 N 0.20 1.93 0.04 2.22 1.01 -0.13 -0.66 121.20 125.80 1u8t s ILE 55 Ca -0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 1u8t s ILE 55 Cb -0.15 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1u8t s ILE 55 CO 0.05 0.37 -0.03 -0.55 0.00 0.00 0.00 174.94 174.78 1u8t s SER 56 N 1.31 0.43 0.82 3.58 0.15 -0.18 -0.24 113.70 119.57 1u8t s SER 56 Ca 0.02 -0.74 -0.12 0.00 0.70 0.00 0.00 55.95 55.81 1u8t s SER 56 Cb -0.15 0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.39 1u8t s SER 56 CO -0.10 -0.43 1.17 -0.62 1.20 0.00 0.00 173.24 174.46 1u8t s ASP 57 N -2.16 4.39 -0.06 5.45 2.15 -0.36 -0.64 116.67 125.43 1u8t s ASP 57 Ca -0.05 0.83 -0.05 0.00 0.43 0.00 0.00 52.55 53.72 1u8t s ASP 57 Cb -0.02 -1.35 -0.02 0.00 -0.30 0.00 0.00 42.92 41.24 1u8t s ASP 57 CO -0.05 -1.98 -0.09 1.87 -0.17 0.00 0.00 175.17 174.74 1u8t n TRP 58 N -3.38 0.21 -3.17 -5.34 -0.00 -1.26 -3.89 117.44 100.60 1u8t n TRP 58 Ca 0.08 0.09 -0.37 0.00 -0.00 0.00 0.00 57.50 57.30 1u8t n TRP 58 Cb 0.61 -0.34 -0.06 0.00 -0.00 0.00 0.00 31.31 31.52 1u8t n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1u8t s ASN 59 N -4.51 7.05 0.20 5.87 0.01 -1.26 0.46 114.94 122.76 1u8t s ASN 59 Ca -0.08 1.34 0.05 0.00 -0.71 0.00 0.00 52.86 53.47 1u8t s ASN 59 Cb 0.01 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1u8t s ASN 59 CO 0.12 0.11 0.22 -2.16 -1.51 0.00 0.00 177.10 173.88 1u8t s PRO 61 N -1.72 3.10 0.00 -0.60 0.04 -1.26 -4.95 135.00 129.61 1u8t s PRO 61 Ca 0.38 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1u8t s PRO 61 Cb -0.18 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1u8t s PRO 61 CO 0.21 0.45 0.00 0.09 0.04 0.00 0.00 177.00 177.79 1u8t n ASN 62 N -0.84 0.00 -3.95 6.66 3.02 -1.26 -4.33 115.26 114.55 1u8t n ASN 62 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.30 1u8t n ASN 62 Cb 0.56 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.76 1.09 0.28 6.41 3.84 -1.26 -4.89 116.67 121.37 1u8t s ASP 64 Ca 0.00 -1.53 -0.03 0.00 -0.00 0.00 0.00 52.55 50.99 1u8t s ASP 64 Cb 0.00 0.40 0.39 0.00 -1.38 0.00 0.00 42.92 42.33 1u8t s ASP 64 CO 0.00 -0.90 1.94 1.23 -0.00 0.00 0.00 175.17 177.44 1u8t h GLY 65 N 2.34 1.32 0.89 2.12 0.00 -0.10 -0.85 103.07 108.79 1u8t h GLY 65 Ca -0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1u8t h GLY 65 CO 0.50 0.43 0.07 -2.00 0.00 0.00 0.00 176.54 175.53 1u8t h LEU 66 N 1.20 0.44 -0.61 3.11 5.85 -1.88 0.25 115.31 123.67 1u8t h LEU 66 Ca 0.36 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1u8t h LEU 66 Cb -0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1u8t h LEU 66 CO -0.10 0.56 0.24 -0.08 -0.34 0.00 0.00 178.44 178.72 1u8t h GLU 67 N 0.31 0.91 -0.45 1.25 4.81 -1.86 0.12 114.58 119.66 1u8t h GLU 67 Ca 0.09 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1u8t h GLU 67 Cb 0.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1u8t h GLU 67 CO 0.00 0.77 0.25 1.25 -0.73 0.00 0.00 179.01 180.55 1u8t h LEU 68 N 0.85 0.38 -0.06 1.64 5.85 -1.01 0.21 115.31 123.17 1u8t h LEU 68 Ca 0.20 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1u8t h LEU 68 Cb 0.20 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1u8t h LEU 68 CO -0.02 0.27 0.03 0.25 -0.34 0.00 0.00 178.44 178.64 1u8t h LEU 69 N 0.49 0.07 -0.98 2.25 5.85 -0.55 -0.70 115.31 121.74 1u8t h LEU 69 Ca 0.19 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1u8t h LEU 69 Cb 0.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1u8t h LEU 69 CO -0.11 0.08 0.32 0.11 -0.34 0.00 0.00 178.44 178.50 1u8t h LYS 70 N 0.05 1.05 -0.40 1.25 1.57 -0.68 -0.21 116.57 119.20 1u8t h LYS 70 Ca 0.02 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1u8t h LYS 70 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1u8t h LYS 70 CO -0.00 0.83 -0.08 1.15 -0.57 0.00 0.00 179.45 180.77 1u8t h THR 71 N 1.04 1.27 -0.13 -0.16 2.02 -0.74 -2.34 112.91 113.88 1u8t h THR 71 Ca 0.25 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1u8t h THR 71 Cb 0.15 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1u8t h THR 71 CO -0.03 0.39 0.06 0.40 0.37 0.00 0.00 175.52 176.72 1u8t h ILE 72 N 0.58 1.11 0.00 3.11 2.04 -0.79 -2.46 117.51 121.09 1u8t h ILE 72 Ca 0.10 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1u8t h ILE 72 Cb 0.60 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1u8t h ILE 72 CO 0.04 0.10 -0.02 0.03 0.00 0.00 0.00 178.15 178.30 1u8t h ARG 73 N 0.09 0.00 -0.01 2.37 2.47 -0.96 -1.92 114.38 116.42 1u8t h ARG 73 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1u8t h ARG 73 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1u8t h ARG 73 CO -0.01 0.02 -0.57 0.00 0.56 0.00 0.00 179.97 179.97 1u8t n ALA 74 N -2.16 3.77 -1.77 0.04 0.00 -0.89 -4.59 120.51 114.92 1u8t n ALA 74 Ca -0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 1u8t n ALA 74 Cb 0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.64 6.78 0.55 0.00 2.15 -0.73 -4.93 116.67 117.85 1u8t s ASP 75 Ca 0.16 2.41 0.33 0.00 0.43 0.00 0.00 52.55 55.88 1u8t s ASP 75 Cb 0.18 -2.63 1.55 0.00 -0.30 0.00 0.00 42.92 41.72 1u8t s ASP 75 CO 0.64 -0.50 2.07 1.23 -0.17 0.00 0.00 175.17 178.44 1u8t h GLY 76 N 3.12 0.00 -1.88 2.66 0.00 -1.92 -2.68 103.07 102.37 1u8t h GLY 76 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1u8t h GLY 76 CO 0.64 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.18 1u8t n ALA 77 N -2.16 3.12 0.00 3.60 0.00 -1.26 -5.07 120.51 118.74 1u8t n ALA 77 Ca -0.01 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1u8t n ALA 77 Cb 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.34 0.00 -0.96 0.00 3.41 -1.01 -4.87 113.62 109.84 1u8t n SER 79 Ca 0.22 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1u8t n SER 79 Cb 0.94 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.00 2.39 -1.62 7.33 0.00 -1.26 -4.42 120.51 122.93 1u8t n ALA 80 Ca 0.00 -0.95 -0.49 0.00 0.00 0.00 0.00 53.44 52.00 1u8t n ALA 80 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 1.21 2.22 -4.76 0.00 7.94 -1.26 -4.88 117.00 117.46 1u8t n LEU 81 Ca 0.16 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.76 1u8t n LEU 81 Cb 0.53 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1u8t n LEU 81 CO 0.13 -0.78 0.96 -2.84 -1.11 0.00 0.00 177.39 173.76 1u8t s PRO 82 N 0.50 4.39 -0.20 1.96 0.02 -1.26 -4.93 135.00 135.48 1u8t s PRO 82 Ca 0.80 2.15 -0.02 0.00 0.02 0.00 0.00 61.00 63.95 1u8t s PRO 82 Cb -0.83 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 30.65 1u8t s PRO 82 CO 0.44 -0.16 0.03 0.08 -0.33 0.00 0.00 177.00 177.07 1u8t s VAL 83 N -0.93 0.63 0.00 3.83 1.01 -1.26 -1.25 120.40 122.43 1u8t s VAL 83 Ca 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1u8t s VAL 83 Cb -0.38 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1u8t s VAL 83 CO 0.49 -0.22 0.00 -0.11 0.00 0.00 0.00 175.10 175.26 1u8t n LEU 84 N 5.01 0.00 0.00 3.92 7.94 0.16 0.07 117.00 134.10 1u8t n LEU 84 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1u8t n LEU 84 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1u8t n LEU 84 CO 0.13 -0.28 0.00 0.52 -1.11 0.00 0.00 177.39 176.65 1u8t n VAL 86 N -0.56 0.00 -3.73 1.96 0.31 0.18 -1.01 118.33 115.48 1u8t n VAL 86 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1u8t n VAL 86 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1u8t n VAL 86 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1u8t s THR 87 N 0.00 0.00 0.07 2.52 -1.32 -0.70 -3.87 115.64 112.34 1u8t s THR 87 Ca 0.00 -0.70 0.16 0.00 -1.21 0.00 0.00 61.69 59.94 1u8t s THR 87 Cb 0.00 -1.69 0.08 0.00 -1.51 0.00 0.00 72.50 69.38 1u8t s THR 87 CO 0.00 -0.00 1.60 0.00 -2.21 0.00 0.00 174.62 174.01 1u8t h ALA 88 N 2.01 0.84 -2.47 11.08 0.00 -1.87 -0.22 119.26 128.64 1u8t h ALA 88 Ca -0.24 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 1u8t h ALA 88 Cb 1.27 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 19.06 1u8t h ALA 88 CO 0.28 0.59 0.74 -1.91 0.00 0.00 0.00 179.25 178.95 1u8t n GLU 89 N -3.43 2.29 -0.29 0.00 4.07 -1.26 -4.70 120.64 117.32 1u8t n GLU 89 Ca 0.00 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 1u8t n GLU 89 Cb 0.62 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.46 1u8t n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u8t n ALA 90 N 2.31 1.58 -2.03 4.31 0.00 -1.26 -4.88 120.51 120.55 1u8t n ALA 90 Ca 0.12 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1u8t n ALA 90 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1u8t n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1u8t s LYS 91 N 0.00 4.42 0.26 0.00 1.02 -1.26 -4.90 119.74 119.29 1u8t s LYS 91 Ca 0.00 2.00 -0.03 0.00 0.02 0.00 0.00 55.97 57.95 1u8t s LYS 91 Cb 0.00 -3.21 0.55 0.00 -0.52 0.00 0.00 37.83 34.65 1u8t s LYS 91 CO 0.00 -0.20 1.63 -0.22 -0.92 0.00 0.00 175.35 175.64 1u8t h LYS 92 N 5.35 0.13 -0.69 1.68 3.64 -1.99 0.34 116.57 125.03 1u8t h LYS 92 Ca -0.45 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1u8t h LYS 92 Cb 1.21 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1u8t h LYS 92 CO 0.76 0.09 0.45 1.05 -2.27 0.00 0.00 179.45 179.53 1u8t h GLU 93 N 0.13 0.62 0.10 1.90 4.11 -1.99 -0.57 114.58 118.88 1u8t h GLU 93 Ca 0.47 -0.04 -0.28 0.00 0.07 0.00 0.00 59.36 59.59 1u8t h GLU 93 Cb 0.89 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.02 1u8t h GLU 93 CO -0.68 0.41 -1.19 -0.91 0.07 0.00 0.00 179.01 176.71 1u8t h ASN 94 N 0.63 0.67 -0.86 3.06 2.35 -1.33 -1.20 115.58 118.89 1u8t h ASN 94 Ca 0.31 -0.63 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1u8t h ASN 94 Cb 0.38 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1u8t h ASN 94 CO -0.10 1.45 0.52 0.40 -1.65 0.00 0.00 177.43 178.05 1u8t h ILE 95 N 0.20 1.24 0.15 2.81 1.08 -0.82 0.68 117.51 122.86 1u8t h ILE 95 Ca -0.15 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1u8t h ILE 95 Cb 1.87 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1u8t h ILE 95 CO 0.21 0.25 -0.07 0.40 -0.69 0.00 0.00 178.15 178.25 1u8t h ILE 96 N 1.19 0.95 -0.76 -0.67 1.08 -1.12 -0.67 117.51 117.52 1u8t h ILE 96 Ca 0.31 -0.45 0.09 0.00 -0.39 0.00 0.00 64.86 64.42 1u8t h ILE 96 Cb -0.04 1.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.87 1u8t h ILE 96 CO -0.06 0.11 0.41 0.00 -0.69 0.00 0.00 178.15 177.92 1u8t h ALA 97 N 0.40 1.06 -0.29 1.87 0.00 -0.85 0.04 119.26 121.49 1u8t h ALA 97 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u8t h ALA 97 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u8t h ALA 97 CO 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 1u8t h ALA 98 N 1.43 0.40 -0.59 0.00 0.00 -0.75 -0.48 119.26 119.27 1u8t h ALA 98 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1u8t h ALA 98 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u8t h ALA 98 CO -0.25 0.16 0.38 0.00 0.00 0.00 0.00 179.25 179.54 1u8t h ALA 99 N 0.82 0.74 -0.23 0.00 0.00 -0.70 0.19 119.26 120.09 1u8t h ALA 99 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u8t h ALA 99 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u8t h ALA 99 CO 0.02 0.17 0.14 0.37 0.00 0.00 0.00 179.25 179.94 1u8t h GLN 100 N 0.78 0.28 0.00 0.00 5.75 -0.90 -2.03 115.11 118.99 1u8t h GLN 100 Ca 0.22 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1u8t h GLN 100 Cb -0.08 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.41 1u8t h GLN 100 CO -0.05 0.18 0.00 0.00 -2.65 0.00 0.00 178.83 176.31 1u8t n ALA 101 N -2.17 1.96 0.00 3.38 0.00 -0.20 -4.89 120.51 118.60 1u8t n ALA 101 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1u8t n ALA 101 Cb 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.24 1.02 3.73 0.00 0.00 -0.41 -4.72 105.19 105.06 1u8t n GLY 102 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1u8t n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8t n ALA 103 N -1.95 1.71 0.31 4.61 0.00 0.54 -4.84 120.51 120.89 1u8t n ALA 103 Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1u8t n ALA 103 Cb 0.00 -2.33 0.20 0.00 0.00 0.00 0.00 19.45 17.31 1u8t n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1u8t h SER 104 N 2.26 0.00 -5.95 0.00 0.02 -0.71 -3.45 113.55 105.73 1u8t h SER 104 Ca -0.49 -0.01 0.39 0.00 -0.84 0.00 0.00 61.79 60.83 1u8t h SER 104 Cb 1.28 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.71 1u8t h SER 104 CO 0.61 0.01 0.97 -0.83 -1.14 0.00 0.00 176.83 176.45 1u8t s GLY 105 N -4.06 -0.36 -0.17 -3.77 0.00 -1.21 -4.87 107.32 92.88 1u8t s GLY 105 Ca 0.07 0.58 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 1u8t s GLY 105 CO 0.67 2.85 0.39 0.86 0.00 0.00 0.00 173.10 177.88 1u8t s TRP 106 N -2.06 -0.63 -0.13 1.90 -0.11 -1.26 -4.58 118.94 112.06 1u8t s TRP 106 Ca 0.22 1.31 0.02 0.00 1.22 0.00 0.00 56.10 58.86 1u8t s TRP 106 Cb 0.04 0.25 0.01 0.00 -1.50 0.00 0.00 33.47 32.27 1u8t s TRP 106 CO -0.05 -0.38 -0.19 0.08 -4.62 0.00 0.00 176.95 171.80 1u8t s VAL 107 N 1.79 1.80 0.02 5.86 1.01 -1.26 -5.02 120.40 124.60 1u8t s VAL 107 Ca -0.07 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1u8t s VAL 107 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1u8t s VAL 107 CO -0.12 0.50 0.76 -0.69 0.00 0.00 0.00 175.10 175.55 1u8t s VAL 108 N 0.98 4.81 0.09 2.92 1.01 -1.26 -1.72 120.40 127.23 1u8t s VAL 108 Ca -0.05 1.61 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 1u8t s VAL 108 Cb -0.15 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1u8t s VAL 108 CO -0.04 0.33 0.58 -0.54 0.00 0.00 0.00 175.10 175.44 1u8t s LYS 109 N 0.18 4.20 0.31 2.72 1.02 -0.09 -3.11 119.74 124.97 1u8t s LYS 109 Ca 0.39 0.74 -0.27 0.00 0.02 0.00 0.00 55.97 56.85 1u8t s LYS 109 Cb -0.20 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 1u8t s LYS 109 CO 0.22 0.62 0.97 -1.25 -0.92 0.00 0.00 175.35 174.99 1u8t s PRO 110 N -1.19 4.60 0.25 -1.68 0.04 -1.26 -4.56 135.00 131.19 1u8t s PRO 110 Ca 0.30 1.43 0.11 0.00 0.04 0.00 0.00 61.00 62.88 1u8t s PRO 110 Cb -0.19 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 1u8t s PRO 110 CO 0.19 0.27 -0.15 -0.59 0.04 0.00 0.00 177.00 176.76 1u8t s PHE 111 N -1.49 2.42 0.46 0.56 -0.12 -1.18 -5.13 117.98 113.50 1u8t s PHE 111 Ca 0.49 -0.30 -0.06 0.00 -0.05 0.00 0.00 56.93 57.00 1u8t s PHE 111 Cb -0.22 -1.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 1u8t s PHE 111 CO 0.27 0.63 0.78 0.95 -0.05 0.00 0.00 175.22 177.80 1u8t s THR 112 N -2.20 4.88 0.22 -4.49 -4.23 -1.26 -4.96 115.64 103.61 1u8t s THR 112 Ca 0.28 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1u8t s THR 112 Cb -0.06 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.12 1u8t s THR 112 CO 0.15 -0.76 1.85 0.00 -0.54 0.00 0.00 174.62 175.32 1u8t h ALA 113 N 0.50 1.02 -0.91 3.99 0.00 -2.00 -1.91 119.26 119.95 1u8t h ALA 113 Ca -0.47 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1u8t h ALA 113 Cb 1.20 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1u8t h ALA 113 CO 0.62 0.26 0.59 0.00 0.00 0.00 0.00 179.25 180.72 1u8t h ALA 114 N 1.34 1.22 0.04 0.00 0.00 -1.99 -1.49 119.26 118.38 1u8t h ALA 114 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1u8t h ALA 114 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u8t h ALA 114 CO -0.13 0.43 -0.02 1.15 0.00 0.00 0.00 179.25 180.69 1u8t h THR 115 N 1.13 1.01 -0.36 0.00 2.02 -1.74 -0.38 112.91 114.59 1u8t h THR 115 Ca 0.37 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1u8t h THR 115 Cb 0.04 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1u8t h THR 115 CO -0.13 0.04 0.20 0.25 0.37 0.00 0.00 175.52 176.25 1u8t h LEU 116 N -0.12 0.45 -0.85 2.58 5.85 -1.26 -0.68 115.31 121.29 1u8t h LEU 116 Ca -0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1u8t h LEU 116 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1u8t h LEU 116 CO 0.01 0.40 0.55 -0.33 -0.34 0.00 0.00 178.44 178.73 1u8t h GLU 117 N 0.46 1.12 -0.30 1.25 5.08 -1.18 -0.01 114.58 121.00 1u8t h GLU 117 Ca 0.13 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1u8t h GLU 117 Cb 0.05 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1u8t h GLU 117 CO -0.02 0.75 -0.34 1.49 -1.00 0.00 0.00 179.01 179.89 1u8t h GLU 118 N 1.15 0.76 -0.82 2.33 4.22 -0.87 -2.06 114.58 119.29 1u8t h GLU 118 Ca 0.31 -0.41 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1u8t h GLU 118 Cb -0.12 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1u8t h GLU 118 CO -0.07 1.04 0.51 0.87 -2.18 0.00 0.00 179.01 179.18 1u8t h LYS 119 N 0.51 1.10 0.33 1.92 6.56 -0.78 0.17 116.57 126.38 1u8t h LYS 119 Ca 0.04 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1u8t h LYS 119 Cb 0.92 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.32 1u8t h LYS 119 CO 0.08 0.76 -0.44 -0.07 -2.06 0.00 0.00 179.45 177.72 1u8t h LEU 120 N 1.12 -1.25 -0.90 2.94 4.07 -0.88 -1.19 115.31 119.21 1u8t h LEU 120 Ca 0.29 0.11 0.16 0.00 0.08 0.00 0.00 57.88 58.53 1u8t h LEU 120 Cb -0.06 0.43 -0.10 0.00 1.08 0.00 0.00 40.66 42.01 1u8t h LEU 120 CO -0.06 -0.55 0.49 0.78 -1.08 0.00 0.00 178.44 178.03 1u8t h ASN 121 N -0.80 0.61 -0.28 -0.43 2.35 -1.07 -0.29 115.58 115.68 1u8t h ASN 121 Ca -0.04 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1u8t h ASN 121 Cb 0.72 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 1u8t h ASN 121 CO -0.11 0.24 -0.01 0.50 -1.65 0.00 0.00 177.43 176.40 1u8t h LYS 122 N 0.67 0.08 -0.54 0.81 1.63 -0.12 0.47 116.57 119.57 1u8t h LYS 122 Ca 0.50 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.33 1u8t h LYS 122 Cb 0.73 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.31 1u8t h LYS 122 CO -0.37 0.05 0.32 0.82 -3.45 0.00 0.00 179.45 176.82 1u8t h ILE 123 N 0.08 1.05 -0.47 2.00 2.04 0.12 0.38 117.51 122.70 1u8t h ILE 123 Ca 0.14 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1u8t h ILE 123 Cb 0.18 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1u8t h ILE 123 CO -0.23 0.12 0.31 -0.26 0.00 0.00 0.00 178.15 178.09 1u8t h PHE 124 N 0.63 0.55 0.40 1.37 0.05 -0.16 0.54 116.94 120.33 1u8t h PHE 124 Ca 0.22 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 62.00 1u8t h PHE 124 Cb 0.04 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 37.80 1u8t h PHE 124 CO -0.07 0.34 -0.19 0.93 -0.18 0.00 0.00 178.31 179.14 1u8t h GLU 125 N 0.58 -0.52 0.45 1.51 5.08 0.31 -2.43 114.58 119.57 1u8t h GLU 125 Ca 0.18 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1u8t h GLU 125 Cb 0.02 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1u8t h GLU 125 CO -0.04 -0.34 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.19 1u8t h LYS 126 N -0.54 -0.58 -0.75 2.33 1.63 0.31 -3.04 116.57 115.93 1u8t h LYS 126 Ca -0.06 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1u8t h LYS 126 Cb 0.42 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1u8t h LYS 126 CO 0.09 -0.38 0.00 1.28 -3.45 0.00 0.00 179.45 176.99 1u8t n LEU 127 N -5.34 1.99 0.00 5.20 4.77 0.12 -5.10 117.00 118.63 1u8t n LEU 127 Ca -0.11 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1u8t n LEU 127 Cb 0.26 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1u8t n LEU 127 CO 0.36 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.36