#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 1.44 0.23 0.00 -0.08 -1.26 -4.90 116.55 111.97 1u8t n ASP 3 Ca 0.00 1.04 0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1u8t n ASP 3 Cb 0.00 -1.38 0.48 0.00 2.34 0.00 0.00 41.12 42.56 1u8t n ASP 3 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1u8t h LYS 4 N 1.57 0.00 -0.33 -0.67 2.10 -2.00 -2.42 116.57 114.82 1u8t h LYS 4 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1u8t h LYS 4 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1u8t h LYS 4 CO 0.57 0.21 0.00 0.39 -2.00 0.00 0.00 179.45 178.62 1u8t n GLU 5 N -3.39 2.32 -1.68 0.07 -0.58 -1.26 -3.94 120.64 112.18 1u8t n GLU 5 Ca 0.00 -1.98 -0.60 0.00 -0.42 0.00 0.00 57.16 54.15 1u8t n GLU 5 Cb 0.42 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.20 1.58 -4.61 -4.62 7.94 -0.91 -4.70 117.00 112.88 1u8t n LEU 6 Ca 0.18 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.79 1u8t n LEU 6 Cb 0.54 -1.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.42 1u8t n LEU 6 CO 0.15 -0.85 0.79 -0.75 -1.11 0.00 0.00 177.39 175.62 1u8t s LYS 7 N 2.45 3.91 0.07 1.96 2.20 -1.26 -4.46 119.74 124.61 1u8t s LYS 7 Ca 0.98 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 57.29 1u8t s LYS 7 Cb -1.22 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 31.28 1u8t s LYS 7 CO 0.67 -0.91 0.17 -0.06 -0.36 0.00 0.00 175.35 174.86 1u8t s PHE 8 N 3.47 3.41 -0.21 4.03 0.40 -0.27 -0.11 117.98 128.70 1u8t s PHE 8 Ca 0.39 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.93 1u8t s PHE 8 Cb -0.12 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.73 1u8t s PHE 8 CO 0.17 0.57 -0.14 -1.17 0.70 0.00 0.00 175.22 175.35 1u8t s LEU 9 N -2.48 2.60 -0.33 -0.37 2.96 -0.28 -0.68 118.68 120.09 1u8t s LEU 9 Ca 0.33 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 1u8t s LEU 9 Cb -0.13 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1u8t s LEU 9 CO 0.26 -0.11 0.24 -0.69 -1.32 0.00 0.00 176.35 174.73 1u8t s VAL 10 N 1.27 5.29 -0.20 1.68 1.01 0.53 -0.92 120.40 129.06 1u8t s VAL 10 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1u8t s VAL 10 Cb -0.16 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1u8t s VAL 10 CO -0.09 0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.26 1u8t s VAL 11 N 1.74 3.02 -0.15 2.92 1.01 0.67 -1.67 120.40 127.93 1u8t s VAL 11 Ca 0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1u8t s VAL 11 Cb -0.17 -2.34 0.09 0.00 0.00 0.00 0.00 36.38 33.95 1u8t s VAL 11 CO 0.11 0.46 0.79 -0.62 0.00 0.00 0.00 175.10 175.83 1u8t s ASP 12 N 1.32 -0.61 0.51 3.32 -1.08 -0.85 -1.02 116.67 118.27 1u8t s ASP 12 Ca 0.04 0.86 0.30 0.00 -0.52 0.00 0.00 52.55 53.22 1u8t s ASP 12 Cb -0.14 0.76 1.25 0.00 -1.46 0.00 0.00 42.92 43.33 1u8t s ASP 12 CO -0.05 -0.42 1.95 0.07 0.52 0.00 0.00 175.17 177.24 1u8t h LYS 13 N 3.54 0.00 -5.10 4.34 2.10 -1.80 -3.37 116.57 116.27 1u8t h LYS 13 Ca -0.26 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.77 1u8t h LYS 13 Cb 1.15 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.34 1u8t h LYS 13 CO 0.26 0.10 -0.41 -0.06 -2.00 0.00 0.00 179.45 177.34 1u8t s PHE 14 N -3.74 3.29 0.20 0.07 2.99 -1.26 -4.97 117.98 114.55 1u8t s PHE 14 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 56.93 57.12 1u8t s PHE 14 Cb 0.10 -2.40 0.24 0.00 0.00 0.00 0.00 43.02 40.96 1u8t s PHE 14 CO 0.58 -0.06 1.72 1.03 -0.00 0.00 0.00 175.22 178.48 1u8t h SER 15 N 7.85 0.06 0.00 1.36 0.87 -1.99 -0.81 113.55 120.88 1u8t h SER 15 Ca -0.36 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1u8t h SER 15 Cb 1.17 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1u8t h SER 15 CO 0.64 0.05 0.00 0.41 -0.53 0.00 0.00 176.83 177.40 1u8t n THR 16 N -5.08 0.00 0.00 2.23 -1.04 -1.26 -1.26 114.28 107.86 1u8t n THR 16 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1u8t n THR 16 Cb 0.27 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.65 0.00 -0.28 -2.82 1.74 -0.31 -1.50 116.66 114.14 1u8t n ARG 18 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1u8t n ARG 18 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 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 0.83 5.56 2.43 -1.44 0.27 114.38 123.10 1u8t h ARG 19 Ca 0.00 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1u8t h ARG 19 Cb 0.00 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1u8t h ARG 19 CO 0.00 0.81 -0.40 0.82 -1.51 0.00 0.00 179.97 179.69 1u8t h ILE 20 N 1.06 0.18 -0.73 1.20 2.04 -1.54 -0.18 117.51 119.54 1u8t h ILE 20 Ca 0.27 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.19 1u8t h ILE 20 Cb 0.06 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 1u8t h ILE 20 CO -0.04 0.00 0.39 0.58 0.00 0.00 0.00 178.15 179.08 1u8t h VAL 21 N -1.12 0.91 -0.93 1.67 2.07 -1.83 0.24 116.25 117.25 1u8t h VAL 21 Ca -0.11 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1u8t h VAL 21 Cb 0.85 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1u8t h VAL 21 CO 0.19 0.12 0.62 -0.09 0.02 0.00 0.00 177.57 178.43 1u8t h ARG 22 N 0.68 1.20 -0.08 1.57 2.43 -0.81 -0.38 114.38 118.99 1u8t h ARG 22 Ca 0.34 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1u8t h ARG 22 Cb 0.30 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1u8t h ARG 22 CO -0.23 0.79 -0.61 -0.91 -1.51 0.00 0.00 179.97 177.51 1u8t h ASN 23 N 1.24 0.31 -0.39 -3.80 2.35 0.92 -1.41 115.58 114.80 1u8t h ASN 23 Ca 0.35 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1u8t h ASN 23 Cb -0.10 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1u8t h ASN 23 CO -0.09 0.84 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.30 1u8t h LEU 24 N 0.21 0.82 -0.86 1.61 3.38 -0.05 -1.55 115.31 118.86 1u8t h LEU 24 Ca -0.01 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1u8t h LEU 24 Cb 1.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1u8t h LEU 24 CO 0.10 1.03 0.57 -0.07 0.09 0.00 0.00 178.44 180.16 1u8t h LEU 25 N 0.60 0.99 -1.19 1.67 3.38 -0.98 -1.43 115.31 118.35 1u8t h LEU 25 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u8t h LEU 25 Cb 0.71 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1u8t h LEU 25 CO 0.05 0.72 0.47 0.50 0.09 0.00 0.00 178.44 180.27 1u8t h LYS 26 N 1.17 1.02 0.00 1.13 3.64 -0.95 0.15 116.57 122.74 1u8t h LYS 26 Ca 0.32 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1u8t h LYS 26 Cb -0.13 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.46 1u8t h LYS 26 CO -0.07 0.70 -0.18 0.93 -2.27 0.00 0.00 179.45 178.56 1u8t h GLU 27 N 1.05 0.00 -0.01 1.90 5.08 -0.25 -1.45 114.58 120.90 1u8t h GLU 27 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1u8t h GLU 27 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1u8t h GLU 27 CO -0.05 0.18 -0.09 1.28 -1.00 0.00 0.00 179.01 179.33 1u8t n LEU 28 N -3.81 0.72 0.00 1.33 4.77 -0.12 -4.90 117.00 114.98 1u8t n LEU 28 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1u8t n LEU 28 Cb 0.28 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1u8t n LEU 28 CO 0.33 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1u8t n GLY 29 N 1.22 0.73 3.38 -0.72 0.00 -0.55 -5.04 105.19 104.21 1u8t n GLY 29 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.29 3.11 -0.09 1.61 0.40 -0.25 -4.83 117.98 115.65 1u8t s PHE 30 Ca 0.00 -0.94 0.22 0.00 -0.60 0.00 0.00 56.93 55.61 1u8t s PHE 30 Cb 0.00 -3.70 -0.32 0.00 0.51 0.00 0.00 43.02 39.51 1u8t s PHE 30 CO 0.00 -1.08 0.52 0.09 0.70 0.00 0.00 175.22 175.45 1u8t n ASN 31 N 5.83 0.08 -4.54 1.36 4.13 -1.25 -2.90 115.26 117.96 1u8t n ASN 31 Ca -0.10 -0.05 -0.43 0.00 1.68 0.00 0.00 54.58 55.68 1u8t n ASN 31 Cb 0.43 1.90 -0.01 0.00 -1.54 0.00 0.00 39.78 40.55 1u8t n ASN 31 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1u8t s ASN 32 N -4.46 6.75 -0.05 6.41 2.47 -1.26 -4.95 114.94 119.85 1u8t s ASN 32 Ca -0.07 -2.19 0.04 0.00 0.42 0.00 0.00 52.86 51.06 1u8t s ASN 32 Cb 0.14 -2.52 -0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1u8t s ASN 32 CO 0.90 -1.18 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.24 1u8t s VAL 33 N 3.77 1.49 0.23 -5.21 1.01 -1.26 -1.11 120.40 119.31 1u8t s VAL 33 Ca 0.47 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.82 1u8t s VAL 33 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1u8t s VAL 33 CO -0.01 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 173.69 1u8t s GLU 34 N 0.12 1.63 0.17 2.72 0.41 0.14 -4.98 118.70 118.90 1u8t s GLU 34 Ca -0.06 -1.61 0.10 0.00 -0.41 0.00 0.00 54.97 52.99 1u8t s GLU 34 Cb -0.13 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.34 1u8t s GLU 34 CO 0.03 0.37 -0.22 -1.21 -0.49 0.00 0.00 175.26 173.75 1u8t s GLU 35 N -3.05 1.37 -0.04 1.61 2.02 -1.26 -0.35 118.70 119.00 1u8t s GLU 35 Ca 0.25 -1.43 -0.10 0.00 0.02 0.00 0.00 54.97 53.71 1u8t s GLU 35 Cb -0.07 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.59 1u8t s GLU 35 CO 0.12 0.34 0.24 0.00 0.02 0.00 0.00 175.26 175.99 1u8t s ALA 36 N -1.73 -0.60 -1.54 5.21 0.00 -0.67 -4.91 121.76 117.52 1u8t s ALA 36 Ca 0.17 0.36 0.21 0.00 0.00 0.00 0.00 51.96 52.70 1u8t s ALA 36 Cb -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1u8t s ALA 36 CO 0.08 -0.19 0.97 -0.85 0.00 0.00 0.00 175.76 175.77 1u8t n GLU 37 N 2.00 0.88 -3.82 0.00 0.28 -1.26 -2.01 120.64 116.71 1u8t n GLU 37 Ca -0.18 -0.57 -0.06 0.00 -0.16 0.00 0.00 57.16 56.19 1u8t n GLU 37 Cb 0.57 -1.45 -0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 -2.61 -0.14 0.35 -1.84 1.47 -1.26 -3.71 116.67 108.92 1u8t s ASP 38 Ca 0.13 -0.68 0.03 0.00 1.18 0.00 0.00 52.55 53.22 1u8t s ASP 38 Cb 0.16 0.65 0.66 0.00 -0.34 0.00 0.00 42.92 44.06 1u8t s ASP 38 CO 0.67 -1.24 1.99 1.23 0.68 0.00 0.00 175.17 178.50 1u8t h GLY 39 N 2.00 0.93 0.55 2.12 0.00 -1.84 0.65 103.07 107.48 1u8t h GLY 39 Ca -0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1u8t h GLY 39 CO 0.29 0.30 -0.03 -2.08 0.00 0.00 0.00 176.54 175.02 1u8t h VAL 40 N 0.84 1.19 -0.76 4.60 2.07 -1.93 -1.63 116.25 120.63 1u8t h VAL 40 Ca 0.26 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.89 1u8t h VAL 40 Cb 0.01 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1u8t h VAL 40 CO -0.07 0.24 0.40 -0.78 0.02 0.00 0.00 177.57 177.38 1u8t h ASP 41 N -0.55 0.54 0.12 0.57 3.58 -1.91 -0.02 116.42 118.76 1u8t h ASP 41 Ca -0.01 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1u8t h ASP 41 Cb 0.47 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1u8t h ASP 41 CO 0.02 0.31 -0.07 0.00 -2.88 0.00 0.00 179.24 176.61 1u8t h ALA 42 N 1.44 -0.18 -0.59 -0.78 0.00 -0.81 -1.39 119.26 116.95 1u8t h ALA 42 Ca 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1u8t h ALA 42 Cb 0.37 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1u8t h ALA 42 CO -0.26 -0.60 0.31 -0.07 0.00 0.00 0.00 179.25 178.63 1u8t h LEU 43 N -0.19 0.73 -0.79 0.00 3.38 -0.74 0.76 115.31 118.45 1u8t h LEU 43 Ca -0.01 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1u8t h LEU 43 Cb 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1u8t h LEU 43 CO 0.02 0.60 0.52 0.78 0.09 0.00 0.00 178.44 180.44 1u8t h ASN 44 N 0.82 0.92 -0.17 -0.43 2.35 -0.59 -0.72 115.58 117.77 1u8t h ASN 44 Ca 0.21 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 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 0.67 -0.10 0.11 -1.65 0.00 0.00 177.43 176.43 1u8t h LYS 45 N 1.08 0.36 -0.15 0.81 1.57 -0.34 -3.17 116.57 116.74 1u8t h LYS 45 Ca 0.29 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1u8t h LYS 45 Cb -0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1u8t h LYS 45 CO -0.06 0.69 0.09 -0.07 -0.57 0.00 0.00 179.45 179.53 1u8t h LEU 46 N 0.03 0.17 -2.32 2.94 3.38 -0.58 -2.11 115.31 116.83 1u8t h LEU 46 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1u8t h LEU 46 Cb 0.60 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1u8t h LEU 46 CO 0.03 0.13 -0.03 -0.61 0.09 0.00 0.00 178.44 178.05 1u8t h GLN 47 N 0.20 0.00 0.00 1.13 -0.00 -1.10 -1.15 115.11 114.18 1u8t h GLN 47 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1u8t h GLN 47 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1u8t h GLN 47 CO -0.01 0.03 0.00 0.00 0.00 0.00 0.00 178.83 178.84 1u8t n ALA 48 N -2.34 1.55 -0.02 3.38 0.00 -0.79 -4.99 120.51 117.30 1u8t n ALA 48 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1u8t n ALA 48 Cb 0.11 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.23 -1.66 2.38 0.00 0.00 -0.44 -4.99 105.19 100.25 1u8t n GLY 49 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.89 1.60 3.77 -0.02 0.00 -1.26 -4.98 105.19 102.42 1u8t n GLY 50 Ca -0.00 0.00 -0.37 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 -3.21 3.10 0.00 1.61 1.51 -1.26 -4.54 117.35 114.56 1u8t s TYR 51 Ca 0.00 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 1u8t s TYR 51 Cb 0.00 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1u8t s TYR 51 CO 0.00 -1.08 0.04 0.41 -1.11 0.00 0.00 175.55 173.81 1u8t n GLY 52 N 0.45 0.81 3.59 0.71 0.00 0.84 -4.93 105.19 106.67 1u8t n GLY 52 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.69 -0.62 -0.06 1.61 5.36 -0.85 -4.38 117.98 118.35 1u8t s PHE 53 Ca 0.00 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 1u8t s PHE 53 Cb 0.00 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.05 1u8t s PHE 53 CO 0.00 -0.42 -0.12 0.08 -1.46 0.00 0.00 175.22 173.30 1u8t s VAL 54 N -0.39 1.15 -0.24 3.12 1.01 -0.20 -1.13 120.40 123.72 1u8t s VAL 54 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1u8t s VAL 54 Cb -0.03 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1u8t s VAL 54 CO 0.03 0.36 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 1u8t s ILE 55 N 0.61 2.66 -0.01 2.22 1.01 -0.09 -0.26 121.20 127.35 1u8t s ILE 55 Ca -0.14 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.47 1u8t s ILE 55 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1u8t s ILE 55 CO 0.04 0.23 -0.14 -0.55 0.00 0.00 0.00 174.94 174.52 1u8t s SER 56 N 1.29 1.59 0.91 3.58 0.15 -0.14 -0.23 113.70 120.85 1u8t s SER 56 Ca -0.00 -0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.28 1u8t s SER 56 Cb -0.16 -0.18 0.14 0.00 -1.71 0.00 0.00 66.02 64.11 1u8t s SER 56 CO -0.06 0.16 1.13 -0.62 1.20 0.00 0.00 173.24 175.06 1u8t s ASP 57 N -0.33 3.48 -0.14 5.45 2.15 -0.19 -0.41 116.67 126.67 1u8t s ASP 57 Ca 0.05 0.99 -0.23 0.00 0.43 0.00 0.00 52.55 53.79 1u8t s ASP 57 Cb -0.05 -1.58 -0.25 0.00 -0.30 0.00 0.00 42.92 40.74 1u8t s ASP 57 CO -0.00 -2.57 0.57 -0.25 -0.17 0.00 0.00 175.17 172.74 1u8t h TRP 58 N -1.51 0.15 -2.81 -5.34 2.91 -1.81 -3.32 115.95 104.22 1u8t h TRP 58 Ca -0.51 -0.11 -0.64 0.00 1.13 0.00 0.00 58.89 58.76 1u8t h TRP 58 Cb 1.33 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.92 1u8t h TRP 58 CO 0.30 1.30 -0.47 -0.80 -1.03 0.00 0.00 178.44 177.74 1u8t s ASN 59 N -6.66 6.40 0.30 2.65 0.01 -1.26 -1.70 114.94 114.67 1u8t s ASN 59 Ca -0.22 0.41 0.08 0.00 -0.71 0.00 0.00 52.86 52.42 1u8t s ASN 59 Cb 0.02 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1u8t s ASN 59 CO 0.69 0.28 0.19 -2.16 -1.51 0.00 0.00 177.10 174.58 1u8t s PRO 61 N -1.80 2.67 0.00 -0.60 0.04 -1.26 -4.56 135.00 129.49 1u8t s PRO 61 Ca 0.26 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1u8t s PRO 61 Cb -0.13 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1u8t s PRO 61 CO 0.16 0.25 0.00 0.09 0.04 0.00 0.00 177.00 177.54 1u8t n ASN 62 N -1.19 0.00 -3.69 6.66 3.02 -1.26 -4.47 115.26 114.32 1u8t n ASN 62 Ca -0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.31 1u8t n ASN 62 Cb 0.59 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.86 1.57 0.21 6.41 1.47 -1.26 -4.96 116.67 119.25 1u8t s ASP 64 Ca 0.00 -1.66 -0.09 0.00 1.18 0.00 0.00 52.55 51.98 1u8t s ASP 64 Cb 0.00 0.50 0.24 0.00 -0.34 0.00 0.00 42.92 43.32 1u8t s ASP 64 CO 0.00 -0.98 1.82 1.23 0.68 0.00 0.00 175.17 177.92 1u8t h GLY 65 N 2.18 1.02 0.97 2.12 0.00 -1.43 0.39 103.07 108.32 1u8t h GLY 65 Ca -0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1u8t h GLY 65 CO 0.44 0.19 0.23 -2.00 0.00 0.00 0.00 176.54 175.40 1u8t h LEU 66 N 0.75 0.52 -0.86 3.11 5.85 -1.85 0.11 115.31 122.93 1u8t h LEU 66 Ca 0.30 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1u8t h LEU 66 Cb 0.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1u8t h LEU 66 CO -0.17 0.46 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.10 1u8t h GLU 67 N 0.54 0.61 0.02 1.25 4.57 -1.87 -0.45 114.58 119.26 1u8t h GLU 67 Ca 0.15 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1u8t h GLU 67 Cb 0.05 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1u8t h GLU 67 CO -0.02 0.78 -0.01 1.25 -1.18 0.00 0.00 179.01 179.82 1u8t h LEU 68 N 0.54 -0.03 -0.31 1.64 5.85 -0.45 -1.46 115.31 121.10 1u8t h LEU 68 Ca 0.08 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1u8t h LEU 68 Cb 0.66 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1u8t h LEU 68 CO 0.05 0.09 0.02 0.25 -0.34 0.00 0.00 178.44 178.51 1u8t h LEU 69 N -0.14 -0.09 -0.85 2.25 5.85 -0.58 -0.78 115.31 120.98 1u8t h LEU 69 Ca -0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1u8t h LEU 69 Cb 0.13 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1u8t h LEU 69 CO 0.01 -0.01 0.56 0.11 -0.34 0.00 0.00 178.44 178.76 1u8t h LYS 70 N 0.11 1.13 -0.48 1.25 1.57 -0.95 -0.73 116.57 118.47 1u8t h LYS 70 Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1u8t h LYS 70 Cb 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1u8t h LYS 70 CO -0.23 0.75 0.08 1.15 -0.57 0.00 0.00 179.45 180.63 1u8t h THR 71 N 1.16 1.25 -0.31 -0.16 2.02 -0.84 -2.02 112.91 114.01 1u8t h THR 71 Ca 0.31 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1u8t h THR 71 Cb -0.12 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1u8t h THR 71 CO -0.07 0.33 0.20 0.40 0.37 0.00 0.00 175.52 176.75 1u8t h ILE 72 N 0.66 1.08 0.00 3.11 2.04 -0.77 -2.32 117.51 121.31 1u8t h ILE 72 Ca 0.15 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1u8t h ILE 72 Cb 0.39 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1u8t h ILE 72 CO 0.01 0.08 -0.06 0.03 0.00 0.00 0.00 178.15 178.21 1u8t h ARG 73 N 0.42 0.00 -0.01 2.37 2.47 -0.93 -2.15 114.38 116.55 1u8t h ARG 73 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1u8t h ARG 73 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1u8t h ARG 73 CO -0.03 0.06 -0.27 0.00 0.56 0.00 0.00 179.97 180.29 1u8t n ALA 74 N -2.28 3.11 -2.61 0.04 0.00 -0.78 -4.66 120.51 113.34 1u8t n ALA 74 Ca -0.02 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.51 1u8t n ALA 74 Cb 0.16 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.39 6.48 0.16 0.00 -1.08 -0.81 -4.98 116.67 114.05 1u8t s ASP 75 Ca 0.25 0.52 -0.20 0.00 -0.52 0.00 0.00 52.55 52.60 1u8t s ASP 75 Cb 0.19 -2.31 0.07 0.00 -1.46 0.00 0.00 42.92 39.42 1u8t s ASP 75 CO 0.49 -0.36 1.64 1.23 0.52 0.00 0.00 175.17 178.69 1u8t h GLY 76 N 8.92 0.03 0.19 2.66 0.00 -1.89 0.56 103.07 113.53 1u8t h GLY 76 Ca -0.28 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1u8t h GLY 76 CO 0.75 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 177.10 1u8t n ALA 77 N -2.82 1.49 0.00 3.60 0.00 -1.26 -4.84 120.51 116.68 1u8t n ALA 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1u8t n ALA 77 Cb 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.59 0.00 -0.95 0.00 3.41 0.19 -4.99 113.62 110.70 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 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 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 2.46 -1.67 7.33 0.00 -1.26 -4.54 120.51 122.83 1u8t n ALA 80 Ca 0.00 -0.74 -0.46 0.00 0.00 0.00 0.00 53.44 52.24 1u8t n ALA 80 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 1.22 3.24 -4.76 0.00 7.94 -1.26 -4.91 117.00 118.48 1u8t n LEU 81 Ca 0.16 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.71 1u8t n LEU 81 Cb 0.57 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 1u8t n LEU 81 CO 0.15 -0.21 0.99 -2.84 -1.11 0.00 0.00 177.39 174.38 1u8t s PRO 82 N 1.58 4.36 -0.13 1.96 0.02 -1.26 -4.92 135.00 136.62 1u8t s PRO 82 Ca 0.81 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 64.00 1u8t s PRO 82 Cb -0.67 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 30.78 1u8t s PRO 82 CO 0.40 -0.22 -0.04 0.08 -0.33 0.00 0.00 177.00 176.89 1u8t s VAL 83 N -0.70 0.89 0.32 3.83 1.01 -1.26 -1.04 120.40 123.46 1u8t s VAL 83 Ca 0.52 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1u8t s VAL 83 Cb -0.39 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1u8t s VAL 83 CO 0.48 0.21 0.37 -0.11 0.00 0.00 0.00 175.10 176.05 1u8t n LEU 84 N 4.96 0.00 -3.63 3.92 7.94 0.65 -0.79 117.00 130.04 1u8t n LEU 84 Ca -0.11 -1.45 -0.05 0.00 -1.11 0.00 0.00 56.01 53.29 1u8t n LEU 84 Cb 0.49 -0.16 -0.06 0.00 0.53 0.00 0.00 43.42 44.21 1u8t n LEU 84 CO 0.15 -0.56 0.40 -0.69 -1.11 0.00 0.00 177.39 175.59 1u8t s VAL 86 N -1.17 -0.15 0.11 1.96 1.01 0.45 -0.96 120.40 121.65 1u8t s VAL 86 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1u8t s VAL 86 Cb -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1u8t s VAL 86 CO 0.18 0.00 -0.13 0.28 0.00 0.00 0.00 175.10 175.43 1u8t s THR 87 N 1.79 1.20 -0.33 3.92 -1.32 -0.71 -2.34 115.64 117.84 1u8t s THR 87 Ca -0.09 -1.69 0.21 0.00 -1.21 0.00 0.00 61.69 58.91 1u8t s THR 87 Cb -0.06 -1.47 0.20 0.00 -1.51 0.00 0.00 72.50 69.67 1u8t s THR 87 CO -0.19 -0.47 1.44 0.00 -2.21 0.00 0.00 174.62 173.20 1u8t h ALA 88 N 3.53 0.83 -2.84 11.08 0.00 -1.88 -2.32 119.26 127.66 1u8t h ALA 88 Ca -0.39 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1u8t h ALA 88 Cb 1.19 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 1u8t h ALA 88 CO 0.51 0.17 -0.47 -1.21 0.00 0.00 0.00 179.25 178.25 1u8t s GLU 89 N -3.17 0.21 -1.33 0.00 2.02 -1.26 -4.78 118.70 110.39 1u8t s GLU 89 Ca 0.05 0.73 -0.11 0.00 0.02 0.00 0.00 54.97 55.66 1u8t s GLU 89 Cb 0.06 -0.01 0.13 0.00 0.10 0.00 0.00 34.13 34.41 1u8t s GLU 89 CO 0.71 -0.23 1.97 0.00 0.02 0.00 0.00 175.26 177.73 1u8t n ALA 90 N 4.91 5.38 -2.51 5.21 0.00 -1.26 -4.84 120.51 127.39 1u8t n ALA 90 Ca -0.14 -4.19 -0.25 0.00 0.00 0.00 0.00 53.44 48.85 1u8t n ALA 90 Cb 0.51 -3.14 -0.01 0.00 0.00 0.00 0.00 19.45 16.81 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 1.20 3.52 0.18 0.00 -2.85 -1.26 -4.95 119.74 115.58 1u8t s LYS 91 Ca 0.42 -0.12 -0.24 0.00 -1.00 0.00 0.00 55.97 55.03 1u8t s LYS 91 Cb 0.11 -2.56 0.06 0.00 -2.06 0.00 0.00 37.83 33.38 1u8t s LYS 91 CO -0.02 0.03 1.49 1.17 0.10 0.00 0.00 175.35 178.12 1u8t n LYS 92 N -1.88 -0.34 0.09 1.78 4.81 -1.26 -3.16 118.16 118.20 1u8t n LYS 92 Ca -0.03 1.47 -0.06 0.00 -0.87 0.00 0.00 58.31 58.82 1u8t n LYS 92 Cb 0.56 -2.16 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 1u8t n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1u8t h GLU 93 N 0.00 -0.31 -0.13 1.64 4.39 -1.98 -3.09 114.58 115.10 1u8t h GLU 93 Ca 0.23 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.97 1u8t h GLU 93 Cb 0.47 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1u8t h GLU 93 CO -0.93 -0.20 -0.20 -0.91 -1.16 0.00 0.00 179.01 175.61 1u8t h ASN 94 N -0.32 -0.66 -0.81 1.42 4.21 -1.90 -1.57 115.58 115.96 1u8t h ASN 94 Ca -0.02 0.09 0.11 0.00 1.21 0.00 0.00 56.30 57.69 1u8t h ASN 94 Cb 0.28 0.27 -0.08 0.00 -1.12 0.00 0.00 38.32 37.67 1u8t h ASN 94 CO -0.03 -0.15 0.43 0.40 -1.29 0.00 0.00 177.43 176.79 1u8t h ILE 95 N -0.16 0.83 -0.43 2.81 2.04 -1.71 -0.86 117.51 120.04 1u8t h ILE 95 Ca 0.02 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1u8t h ILE 95 Cb 0.22 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1u8t h ILE 95 CO -0.20 0.13 0.24 0.40 0.00 0.00 0.00 178.15 178.71 1u8t h ILE 96 N 0.69 1.15 -0.28 -0.67 1.08 -1.43 -0.59 117.51 117.47 1u8t h ILE 96 Ca 0.41 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1u8t h ILE 96 Cb 0.46 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1u8t h ILE 96 CO -0.29 0.16 0.18 0.00 -0.69 0.00 0.00 178.15 177.51 1u8t h ALA 97 N 1.09 0.36 -0.21 1.87 0.00 -0.52 0.16 119.26 122.00 1u8t h ALA 97 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1u8t h ALA 97 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u8t h ALA 97 CO -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.11 1u8t h ALA 98 N 1.11 0.23 -0.68 0.00 0.00 -0.93 0.46 119.26 119.46 1u8t h ALA 98 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1u8t h ALA 98 Cb -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1u8t h ALA 98 CO -0.03 -0.35 0.42 0.00 0.00 0.00 0.00 179.25 179.29 1u8t h ALA 99 N 1.13 0.89 0.00 0.00 0.00 -0.82 -0.40 119.26 120.06 1u8t h ALA 99 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1u8t h ALA 99 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1u8t h ALA 99 CO -0.10 0.19 -0.21 1.96 0.00 0.00 0.00 179.25 181.09 1u8t h GLN 100 N 0.83 0.00 -0.01 0.00 1.08 -0.43 -1.72 115.11 114.86 1u8t h GLN 100 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1u8t h GLN 100 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1u8t h GLN 100 CO -0.11 0.21 -0.05 0.00 -0.95 0.00 0.00 178.83 177.93 1u8t n ALA 101 N -2.41 2.69 -0.19 3.87 0.00 0.11 -4.92 120.51 119.65 1u8t n ALA 101 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1u8t n ALA 101 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.17 0.88 3.77 0.00 0.00 -0.65 -4.51 105.19 105.86 1u8t n GLY 102 Ca 0.19 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 3.60 0.12 4.61 0.00 -0.31 -4.85 121.76 122.92 1u8t s ALA 103 Ca 0.00 1.53 0.15 0.00 0.00 0.00 0.00 51.96 53.65 1u8t s ALA 103 Cb 0.00 -3.60 0.42 0.00 0.00 0.00 0.00 23.12 19.94 1u8t s ALA 103 CO 0.00 -0.99 1.61 0.77 0.00 0.00 0.00 175.76 177.15 1u8t h SER 104 N 3.45 0.00 0.00 0.00 0.02 -1.32 -3.44 113.55 112.26 1u8t h SER 104 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1u8t h SER 104 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1u8t h SER 104 CO 0.68 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 1u8t n GLY 105 N 0.53 -1.18 3.22 -3.77 0.00 -1.17 -4.89 105.19 97.93 1u8t n GLY 105 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1u8t n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u8t s TRP 106 N -2.28 0.01 -0.00 1.61 -2.14 -1.26 -4.43 118.94 110.44 1u8t s TRP 106 Ca 0.00 -0.25 -0.03 0.00 2.66 0.00 0.00 56.10 58.48 1u8t s TRP 106 Cb 0.00 0.02 -0.00 0.00 -3.10 0.00 0.00 33.47 30.39 1u8t s TRP 106 CO 0.00 -0.50 0.05 0.54 -2.66 0.00 0.00 176.95 174.38 1u8t s VAL 107 N -2.93 0.05 -0.22 -0.66 0.11 -1.26 -5.02 120.40 110.48 1u8t s VAL 107 Ca -0.02 -0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 58.43 1u8t s VAL 107 Cb 0.01 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1u8t s VAL 107 CO -0.06 -0.25 0.35 -0.69 -3.33 0.00 0.00 175.10 171.13 1u8t s VAL 108 N -0.76 5.22 0.09 2.04 1.01 -1.26 -1.74 120.40 125.00 1u8t s VAL 108 Ca -0.08 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1u8t s VAL 108 Cb -0.05 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1u8t s VAL 108 CO 0.00 0.25 0.43 -1.59 0.00 0.00 0.00 175.10 174.18 1u8t s LYS 109 N 1.43 3.79 0.44 2.72 -2.85 -0.87 -3.48 119.74 120.91 1u8t s LYS 109 Ca 0.16 0.21 -0.22 0.00 -1.00 0.00 0.00 55.97 55.13 1u8t s LYS 109 Cb -0.15 -2.97 -0.09 0.00 -2.06 0.00 0.00 37.83 32.56 1u8t s LYS 109 CO 0.08 0.54 1.02 -1.25 0.10 0.00 0.00 175.35 175.84 1u8t s PRO 110 N -1.97 4.03 0.05 1.78 0.04 -1.26 -4.75 135.00 132.92 1u8t s PRO 110 Ca 0.34 1.36 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1u8t s PRO 110 Cb -0.14 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1u8t s PRO 110 CO 0.18 -0.24 -0.20 -0.59 0.04 0.00 0.00 177.00 176.20 1u8t s PHE 111 N -1.90 1.70 0.67 0.56 -0.12 -1.23 -5.15 117.98 112.52 1u8t s PHE 111 Ca 0.63 -0.38 -0.09 0.00 -0.05 0.00 0.00 56.93 57.04 1u8t s PHE 111 Cb -0.17 -1.00 0.03 0.00 -0.63 0.00 0.00 43.02 41.25 1u8t s PHE 111 CO 0.21 0.10 1.02 0.95 -0.05 0.00 0.00 175.22 177.45 1u8t s THR 112 N -0.88 3.19 0.28 -4.49 -4.23 -1.26 -4.89 115.64 103.35 1u8t s THR 112 Ca 0.06 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1u8t s THR 112 Cb -0.09 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.68 1u8t s THR 112 CO 0.02 -0.40 1.92 0.00 -0.54 0.00 0.00 174.62 175.62 1u8t h ALA 113 N -0.51 1.40 -0.28 3.99 0.00 -1.99 -1.25 119.26 120.61 1u8t h ALA 113 Ca -0.45 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1u8t h ALA 113 Cb 1.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1u8t h ALA 113 CO 0.62 0.50 0.17 0.00 0.00 0.00 0.00 179.25 180.54 1u8t h ALA 114 N 1.45 0.35 -0.15 0.00 0.00 -1.96 0.64 119.26 119.59 1u8t h ALA 114 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1u8t h ALA 114 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u8t h ALA 114 CO -0.12 -0.21 0.10 1.15 0.00 0.00 0.00 179.25 180.17 1u8t h THR 115 N 0.34 1.04 -0.89 0.00 2.02 -1.75 -1.61 112.91 112.05 1u8t h THR 115 Ca 0.11 -0.07 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1u8t h THR 115 Cb -0.01 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 1u8t h THR 115 CO -0.05 0.04 0.53 0.25 0.37 0.00 0.00 175.52 176.65 1u8t h LEU 116 N 0.20 0.76 -0.40 2.58 5.85 -0.94 -1.22 115.31 122.14 1u8t h LEU 116 Ca 0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1u8t h LEU 116 Cb -0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1u8t h LEU 116 CO -0.01 0.41 0.26 -0.08 -0.34 0.00 0.00 178.44 178.68 1u8t h GLU 117 N 0.86 0.52 -0.63 1.25 4.81 -0.24 0.14 114.58 121.28 1u8t h GLU 117 Ca 0.44 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1u8t h GLU 117 Cb 0.42 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1u8t h GLU 117 CO -0.26 0.34 0.34 1.49 -0.73 0.00 0.00 179.01 180.19 1u8t h GLU 118 N 0.53 0.89 -0.28 1.92 4.22 -0.36 -0.16 114.58 121.33 1u8t h GLU 118 Ca 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1u8t h GLU 118 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1u8t h GLU 118 CO -0.04 0.67 0.14 0.87 -2.18 0.00 0.00 179.01 178.48 1u8t h LYS 119 N 0.86 0.40 -0.26 1.92 1.79 -0.95 -2.11 116.57 118.21 1u8t h LYS 119 Ca 0.22 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1u8t h LYS 119 Cb 0.05 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1u8t h LYS 119 CO -0.03 0.37 0.12 -0.07 -1.08 0.00 0.00 179.45 178.75 1u8t h LEU 120 N 0.33 0.36 -0.56 2.94 3.38 -0.74 -2.57 115.31 118.44 1u8t h LEU 120 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u8t h LEU 120 Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1u8t h LEU 120 CO -0.01 0.40 0.33 0.78 0.09 0.00 0.00 178.44 180.04 1u8t h ASN 121 N 0.28 0.54 -0.65 -0.43 2.35 -0.94 0.28 115.58 117.01 1u8t h ASN 121 Ca 0.09 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1u8t h ASN 121 Cb 0.15 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1u8t h ASN 121 CO -0.01 0.37 0.38 0.11 -1.65 0.00 0.00 177.43 176.64 1u8t h LYS 122 N 0.66 0.71 -0.40 0.81 1.79 -1.32 0.46 116.57 119.28 1u8t h LYS 122 Ca 0.23 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1u8t h LYS 122 Cb 0.04 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1u8t h LYS 122 CO -0.11 0.47 0.10 0.82 -1.08 0.00 0.00 179.45 179.65 1u8t h ILE 123 N 0.73 1.23 -0.13 1.86 2.04 -0.98 -0.31 117.51 121.95 1u8t h ILE 123 Ca 0.28 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1u8t h ILE 123 Cb 0.10 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1u8t h ILE 123 CO -0.14 0.27 -0.11 -0.26 0.00 0.00 0.00 178.15 177.91 1u8t h PHE 124 N 0.51 -0.28 -0.02 1.37 0.05 0.61 0.16 116.94 119.34 1u8t h PHE 124 Ca 0.13 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.96 1u8t h PHE 124 Cb 0.31 0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.38 1u8t h PHE 124 CO 0.02 -0.17 -0.13 0.93 -0.18 0.00 0.00 178.31 178.78 1u8t h GLU 125 N -0.13 -0.20 -0.83 1.51 5.08 0.02 -0.21 114.58 119.81 1u8t h GLU 125 Ca 0.09 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1u8t h GLU 125 Cb 0.26 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1u8t h GLU 125 CO -0.21 -0.13 0.50 -0.22 -1.00 0.00 0.00 179.01 177.95 1u8t h LYS 126 N -0.21 0.86 -0.01 2.33 3.64 -0.69 -2.86 116.57 119.64 1u8t h LYS 126 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u8t h LYS 126 Cb 0.28 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1u8t h LYS 126 CO -0.14 0.57 -0.26 1.28 -2.27 0.00 0.00 179.45 178.63 1u8t n LEU 127 N -4.67 1.56 0.00 5.20 4.77 0.01 -5.09 117.00 118.78 1u8t n LEU 127 Ca 0.12 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1u8t n LEU 127 Cb 0.21 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1u8t n LEU 127 CO 0.29 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.25