#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8u s PHE 3 N 0.00 2.93 0.43 1.12 5.36 -1.26 -4.54 117.98 122.02 2i8u s PHE 3 Ca 0.00 -0.13 -0.24 0.00 -0.96 0.00 0.00 56.93 55.61 2i8u s PHE 3 Cb 0.00 -3.77 -0.08 0.00 -0.34 0.00 0.00 43.02 38.83 2i8u s PHE 3 CO 0.00 -1.14 1.12 -0.51 -1.46 0.00 0.00 175.22 173.23 2i8u s LEU 4 N 3.34 4.07 0.87 6.12 1.43 -1.26 -5.02 118.68 128.24 2i8u s LEU 4 Ca 0.25 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 2i8u s LEU 4 Cb -0.14 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 41.99 2i8u s LEU 4 CO 0.18 -0.74 1.15 0.00 0.23 0.00 0.00 176.35 177.17 2i8u s ARG 5 N -2.59 1.32 0.26 1.70 1.70 -1.26 -4.69 118.95 115.40 2i8u s ARG 5 Ca 0.61 1.54 -0.03 0.00 -0.47 0.00 0.00 55.73 57.38 2i8u s ARG 5 Cb -0.26 -1.76 0.39 0.00 -0.57 0.00 0.00 34.95 32.75 2i8u s ARG 5 CO 0.32 -2.41 1.89 -0.56 -1.08 0.00 0.00 175.30 173.47 2i8u h GLN 6 N -1.57 1.17 -0.48 3.89 -0.00 -1.99 -1.03 115.11 115.10 2i8u h GLN 6 Ca -0.44 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.13 2i8u h GLN 6 Cb 1.27 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.48 28.46 2i8u h GLN 6 CO 0.44 0.77 0.26 0.93 -0.00 0.00 0.00 178.83 181.23 2i8u h GLU 7 N 1.21 0.67 -0.00 0.06 3.07 -2.00 -0.85 114.58 116.74 2i8u h GLU 7 Ca 0.43 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 59.03 2i8u h GLU 7 Cb 0.13 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2i8u h GLU 7 CO -0.16 0.53 -0.81 -0.44 -1.40 0.00 0.00 179.01 176.72 2i8u h ASP 8 N 0.64 0.14 -0.63 1.42 3.32 -1.78 -1.77 116.42 117.75 2i8u h ASP 8 Ca 0.17 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2i8u h ASP 8 Cb 0.05 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2i8u h ASP 8 CO -0.03 0.89 0.03 0.15 -1.72 0.00 0.00 179.24 178.57 2i8u h PHE 9 N 0.06 1.18 -0.15 4.55 3.57 -1.00 -0.26 116.94 124.90 2i8u h PHE 9 Ca -0.02 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.29 2i8u h PHE 9 Cb 1.42 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2i8u h PHE 9 CO 0.02 1.02 0.06 0.00 -2.23 0.00 0.00 178.31 177.18 2i8u h ALA 10 N 1.02 0.17 -0.79 2.41 0.00 -0.99 -0.18 119.26 120.90 2i8u h ALA 10 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2i8u h ALA 10 Cb 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2i8u h ALA 10 CO 0.03 -0.38 0.45 1.15 0.00 0.00 0.00 179.25 180.49 2i8u h THR 11 N 0.14 1.23 0.18 0.00 2.02 -1.15 -0.67 112.91 114.66 2i8u h THR 11 Ca 0.06 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2i8u h THR 11 Cb 0.02 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2i8u h THR 11 CO -0.05 0.25 -0.08 0.58 0.37 0.00 0.00 175.52 176.59 2i8u h VAL 12 N 1.09 0.83 -0.84 3.16 2.07 -0.75 -1.47 116.25 120.34 2i8u h VAL 12 Ca 0.28 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 2i8u h VAL 12 Cb 0.01 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2i8u h VAL 12 CO -0.05 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.60 2i8u h VAL 13 N -0.24 1.24 -0.12 2.57 2.07 -0.82 -1.10 116.25 119.85 2i8u h VAL 13 Ca -0.02 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2i8u h VAL 13 Cb 0.19 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2i8u h VAL 13 CO 0.04 0.27 -0.01 0.03 0.02 0.00 0.00 177.57 177.92 2i8u h ARG 14 N 1.17 0.17 0.00 1.57 3.08 -0.98 -3.35 114.38 116.04 2i8u h ARG 14 Ca 0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2i8u h ARG 14 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2i8u h ARG 14 CO -0.05 0.19 -1.00 0.43 -1.07 0.00 0.00 179.97 178.48 2i8u n SER 15 N -4.43 1.12 -3.45 7.04 7.64 -0.57 -4.97 113.62 116.01 2i8u n SER 15 Ca -0.01 -0.50 -0.14 0.00 1.01 0.00 0.00 58.87 59.24 2i8u n SER 15 Cb 0.15 1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 64.56 2i8u n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i8u s THR 16 N -2.50 0.00 0.40 0.44 -1.32 -0.51 -5.07 115.64 107.09 2i8u s THR 16 Ca 0.01 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.23 2i8u s THR 16 Cb 0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2i8u s THR 16 CO 0.54 0.00 1.25 -2.16 -2.21 0.00 0.00 174.62 172.05 2i8u s PRO 17 N -3.00 4.02 0.57 7.08 0.04 -1.26 -4.59 135.00 137.85 2i8u s PRO 17 Ca -0.02 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 2i8u s PRO 17 Cb -0.01 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 2i8u s PRO 17 CO -0.06 -0.41 1.00 -0.51 0.04 0.00 0.00 177.00 177.05 2i8u s LEU 18 N -2.41 3.42 -0.13 -3.56 1.43 0.76 -4.91 118.68 113.27 2i8u s LEU 18 Ca 0.56 1.47 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 2i8u s LEU 18 Cb -0.36 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.40 2i8u s LEU 18 CO 0.45 -0.73 -0.21 -0.69 0.23 0.00 0.00 176.35 175.40 2i8u s VAL 19 N -2.92 2.22 0.20 -1.59 1.01 -1.26 -0.81 120.40 117.25 2i8u s VAL 19 Ca 0.56 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2i8u s VAL 19 Cb -0.10 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2i8u s VAL 19 CO 0.44 0.54 0.01 -0.94 0.00 0.00 0.00 175.10 175.15 2i8u s SER 20 N 0.69 1.40 -0.15 3.32 1.04 -0.35 -0.04 113.70 119.60 2i8u s SER 20 Ca -0.10 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 2i8u s SER 20 Cb -0.16 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2i8u s SER 20 CO 0.01 -0.56 -0.12 -0.76 0.98 0.00 0.00 173.24 172.79 2i8u s LEU 21 N -3.22 2.70 -0.06 2.42 1.43 -0.24 -0.59 118.68 121.11 2i8u s LEU 21 Ca 0.26 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2i8u s LEU 21 Cb 0.06 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2i8u s LEU 21 CO 0.06 0.11 -0.07 -1.81 0.23 0.00 0.00 176.35 174.88 2i8u s ASP 22 N 0.66 4.64 -0.21 2.29 1.11 -0.60 -1.23 116.67 123.34 2i8u s ASP 22 Ca -0.06 -0.03 -0.04 0.00 0.18 0.00 0.00 52.55 52.60 2i8u s ASP 22 Cb -0.15 -1.16 -0.01 0.00 1.07 0.00 0.00 42.92 42.66 2i8u s ASP 22 CO 0.02 0.36 -0.04 -0.36 1.18 0.00 0.00 175.17 176.34 2i8u s PHE 23 N -0.82 2.97 -0.64 4.23 0.08 0.20 -1.23 117.98 122.78 2i8u s PHE 23 Ca 0.13 -0.78 -0.16 0.00 0.12 0.00 0.00 56.93 56.24 2i8u s PHE 23 Cb -0.11 -2.08 0.16 0.00 -0.57 0.00 0.00 43.02 40.42 2i8u s PHE 23 CO 0.02 -0.43 0.60 0.42 -0.10 0.00 0.00 175.22 175.72 2i8u s ILE 24 N 1.25 5.31 -0.27 0.64 1.09 0.42 -4.08 121.20 125.57 2i8u s ILE 24 Ca 0.03 -1.78 -0.08 0.00 -1.10 0.00 0.00 60.65 57.72 2i8u s ILE 24 Cb -0.14 -4.39 -0.02 0.00 -1.06 0.00 0.00 42.46 36.84 2i8u s ILE 24 CO -0.01 -0.94 0.10 -0.69 -0.10 0.00 0.00 174.94 173.30 2i8u s VAL 25 N 1.21 4.39 0.01 2.92 1.01 -1.26 -1.68 120.40 127.00 2i8u s VAL 25 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2i8u s VAL 25 Cb -0.23 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2i8u s VAL 25 CO -0.01 0.25 0.11 -0.70 0.00 0.00 0.00 175.10 174.76 2i8u s GLU 26 N 1.61 3.16 0.00 2.72 2.12 -0.14 -1.20 118.70 126.97 2i8u s GLU 26 Ca 0.06 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.92 2i8u s GLU 26 Cb -0.16 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2i8u s GLU 26 CO 0.04 0.64 0.00 0.27 -0.54 0.00 0.00 175.26 175.68 2i8u n ASN 27 N 0.98 0.13 0.00 -1.70 0.23 -0.49 -1.03 115.26 113.37 2i8u n ASN 27 Ca -0.11 -0.26 0.15 0.00 -0.53 0.00 0.00 54.58 53.82 2i8u n ASN 27 Cb 0.52 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.95 2i8u n ASN 27 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2i8u n SER 28 N -0.75 0.00 -0.79 0.53 7.64 -1.26 -3.84 113.62 115.15 2i8u n SER 28 Ca 0.00 0.01 0.07 0.00 1.01 0.00 0.00 58.87 59.96 2i8u n SER 28 Cb 0.00 -0.34 0.21 0.00 -1.01 0.00 0.00 64.21 63.07 2i8u n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2i8u n ARG 29 N -1.34 2.94 -1.85 1.43 1.74 -1.26 -4.97 116.66 113.36 2i8u n ARG 29 Ca 0.12 -2.40 -0.10 0.00 -0.77 0.00 0.00 57.85 54.70 2i8u n ARG 29 Cb 0.26 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 2i8u n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i8u n GLY 30 N 0.14 0.40 3.60 -0.13 0.00 -1.25 -5.02 105.19 102.93 2i8u n GLY 30 Ca 0.16 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2i8u n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i8u s GLU 31 N -3.88 2.13 0.04 1.61 2.02 -1.26 -4.59 118.70 114.77 2i8u s GLU 31 Ca 0.00 -1.43 0.08 0.00 0.02 0.00 0.00 54.97 53.64 2i8u s GLU 31 Cb 0.00 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2i8u s GLU 31 CO 0.00 0.38 -0.22 -0.06 0.02 0.00 0.00 175.26 175.38 2i8u s PHE 32 N -2.18 1.92 -0.12 1.61 0.08 0.30 -1.40 117.98 118.20 2i8u s PHE 32 Ca 0.29 -0.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.67 2i8u s PHE 32 Cb -0.07 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2i8u s PHE 32 CO 0.18 0.08 0.99 -1.17 -0.10 0.00 0.00 175.22 175.20 2i8u s LEU 33 N -1.11 4.23 0.02 -0.37 2.96 -0.34 -0.72 118.68 123.35 2i8u s LEU 33 Ca 0.08 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.52 2i8u s LEU 33 Cb -0.09 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 2i8u s LEU 33 CO 0.02 -0.45 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.70 2i8u s LEU 34 N 2.07 2.12 0.15 -0.68 1.02 -0.18 -4.39 118.68 118.79 2i8u s LEU 34 Ca 0.47 -0.37 0.10 0.00 0.02 0.00 0.00 54.13 54.35 2i8u s LEU 34 Cb -0.18 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 2i8u s LEU 34 CO 0.17 0.07 -0.21 -0.83 0.02 0.00 0.00 176.35 175.57 2i8u s GLY 35 N -0.83 1.67 -0.44 -3.19 0.00 -0.25 -1.21 107.32 103.09 2i8u s GLY 35 Ca 0.03 -1.48 -0.21 0.00 0.00 0.00 0.00 44.72 43.05 2i8u s GLY 35 CO 0.01 -1.47 0.68 1.25 0.00 0.00 0.00 173.10 173.57 2i8u s LYS 36 N -2.35 3.33 0.25 2.90 2.20 -0.39 -0.80 119.74 124.88 2i8u s LYS 36 Ca 0.19 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 2i8u s LYS 36 Cb -0.09 -3.94 -0.10 0.00 -1.51 0.00 0.00 37.83 32.18 2i8u s LYS 36 CO 0.10 -1.03 1.40 1.03 -0.36 0.00 0.00 175.35 176.49 2i8u s ARG 37 N 2.95 4.30 0.00 4.03 0.52 -0.37 -1.53 118.95 128.85 2i8u s ARG 37 Ca 0.25 2.25 0.20 0.00 -0.52 0.00 0.00 55.73 57.91 2i8u s ARG 37 Cb -0.14 -3.12 -0.20 0.00 0.52 0.00 0.00 34.95 32.02 2i8u s ARG 37 CO 0.20 -0.37 0.87 0.25 0.02 0.00 0.00 175.30 176.27 2i8u n THR 38 N 2.21 0.00 -4.20 0.02 -2.24 -0.45 -0.66 114.28 108.95 2i8u n THR 38 Ca 0.06 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2i8u n THR 38 Cb 0.41 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 2i8u n THR 38 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2i8u s ASN 39 N -2.84 4.63 0.56 3.42 0.01 -1.26 -4.87 114.94 114.58 2i8u s ASN 39 Ca 0.08 -0.37 -0.16 0.00 -0.71 0.00 0.00 52.86 51.71 2i8u s ASN 39 Cb 0.15 -0.96 -0.06 0.00 0.41 0.00 0.00 41.25 40.80 2i8u s ASN 39 CO 0.80 0.14 1.02 -0.13 -1.51 0.00 0.00 177.10 177.42 2i8u s ARG 40 N -2.54 3.64 0.92 -0.60 0.52 -1.26 -3.27 118.95 116.36 2i8u s ARG 40 Ca 0.25 1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 56.38 2i8u s ARG 40 Cb -0.10 -2.08 0.15 0.00 0.52 0.00 0.00 34.95 33.43 2i8u s ARG 40 CO 0.16 -0.54 1.22 -1.25 0.02 0.00 0.00 175.30 174.92 2i8u s PRO 41 N -4.11 1.05 -1.64 3.54 0.04 -1.26 -3.92 135.00 128.69 2i8u s PRO 41 Ca 0.61 -0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 2i8u s PRO 41 Cb -0.13 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2i8u s PRO 41 CO 0.35 -2.19 0.29 0.00 0.04 0.00 0.00 177.00 175.48 2i8u n ALA 42 N -3.69 -0.80 -1.88 8.56 0.00 -1.26 -4.94 120.51 116.49 2i8u n ALA 42 Ca 0.11 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2i8u n ALA 42 Cb 0.60 -2.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 2i8u n ALA 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2i8u s GLN 43 N -5.37 4.34 0.00 0.00 0.74 -1.20 -2.69 119.66 115.47 2i8u s GLN 43 Ca 0.15 2.19 0.00 0.00 0.05 0.00 0.00 55.36 57.75 2i8u s GLN 43 Cb -0.07 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2i8u s GLN 43 CO 0.18 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2i8u n GLY 44 N 1.84 1.08 3.93 2.59 0.00 0.16 -4.99 105.19 109.80 2i8u n GLY 44 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2i8u n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i8u s TYR 45 N -3.74 3.50 0.19 1.61 2.02 -1.09 -4.80 117.35 115.05 2i8u s TYR 45 Ca 0.00 0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.65 2i8u s TYR 45 Cb 0.00 -1.76 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 2i8u s TYR 45 CO 0.00 0.54 1.16 -1.58 -1.57 0.00 0.00 175.55 174.10 2i8u s TRP 46 N -1.62 3.49 0.01 2.71 0.52 0.10 -1.23 118.94 122.93 2i8u s TRP 46 Ca 0.36 1.50 -0.17 0.00 0.02 0.00 0.00 56.10 57.81 2i8u s TRP 46 Cb -0.12 -3.37 0.03 0.00 -1.15 0.00 0.00 33.47 28.86 2i8u s TRP 46 CO 0.28 -0.96 0.38 0.12 0.02 0.00 0.00 176.95 176.79 2i8u s PHE 47 N -0.22 -0.25 0.63 -1.98 5.36 0.02 -1.81 117.98 119.74 2i8u s PHE 47 Ca 0.51 0.28 -0.17 0.00 -0.96 0.00 0.00 56.93 56.60 2i8u s PHE 47 Cb -0.32 0.17 -0.02 0.00 -0.34 0.00 0.00 43.02 42.52 2i8u s PHE 47 CO 0.37 -0.50 1.15 0.14 -1.46 0.00 0.00 175.22 174.91 2i8u s VAL 48 N -1.97 2.96 0.48 3.12 -7.23 -1.26 -1.08 120.40 115.42 2i8u s VAL 48 Ca -0.09 0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 60.38 2i8u s VAL 48 Cb -0.02 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.75 2i8u s VAL 48 CO 0.01 -0.21 1.16 -2.84 -0.31 0.00 0.00 175.10 172.91 2i8u s PRO 49 N -3.71 3.65 0.00 4.82 0.02 -1.26 -4.85 135.00 133.67 2i8u s PRO 49 Ca 0.72 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2i8u s PRO 49 Cb -0.25 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2i8u s PRO 49 CO 0.37 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 2i8u n GLY 50 N 0.37 0.71 3.77 0.52 0.00 -1.26 -0.63 105.19 108.67 2i8u n GLY 50 Ca 0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 2i8u n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i8u s GLY 51 N 0.00 -0.19 0.37 -0.02 0.00 -0.36 -4.98 107.32 102.13 2i8u s GLY 51 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 2i8u s GLY 51 CO 0.00 0.23 0.76 1.09 0.00 0.00 0.00 173.10 175.19 2i8u s ARG 52 N -3.13 3.90 0.03 2.90 1.70 -1.26 -1.08 118.95 122.00 2i8u s ARG 52 Ca 0.13 0.60 -0.24 0.00 -0.47 0.00 0.00 55.73 55.75 2i8u s ARG 52 Cb -0.01 -2.40 -0.05 0.00 -0.57 0.00 0.00 34.95 31.92 2i8u s ARG 52 CO 0.03 0.05 0.73 0.08 -1.08 0.00 0.00 175.30 175.10 2i8u s VAL 53 N -2.19 4.79 0.51 4.99 1.01 0.94 -4.92 120.40 125.54 2i8u s VAL 53 Ca 0.53 1.54 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 2i8u s VAL 53 Cb -0.10 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2i8u s VAL 53 CO 0.24 0.37 0.77 -1.10 0.00 0.00 0.00 175.10 175.38 2i8u s GLN 54 N -0.02 3.04 0.20 2.72 -0.21 -1.26 -4.70 119.66 119.42 2i8u s GLN 54 Ca 0.37 -0.24 -0.33 0.00 0.02 0.00 0.00 55.36 55.18 2i8u s GLN 54 Cb -0.20 -2.43 -0.13 0.00 1.00 0.00 0.00 33.01 31.25 2i8u s GLN 54 CO 0.21 -0.44 1.60 1.17 -2.12 0.00 0.00 175.29 175.72 2i8u n LYS 55 N -2.29 2.37 -1.38 2.91 3.00 -1.26 -2.07 118.16 119.43 2i8u n LYS 55 Ca 0.03 0.85 -0.13 0.00 -0.00 0.00 0.00 58.31 59.06 2i8u n LYS 55 Cb 0.57 -2.63 -0.06 0.00 0.00 0.00 0.00 35.03 32.92 2i8u n LYS 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2i8u n ASP 56 N 3.31 -5.09 -4.72 3.14 8.00 -1.26 -4.31 116.55 115.62 2i8u n ASP 56 Ca 0.15 0.32 -0.36 0.00 0.71 0.00 0.00 54.79 55.61 2i8u n ASP 56 Cb 0.32 -3.74 -0.08 0.00 -0.02 0.00 0.00 41.12 37.60 2i8u n ASP 56 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2i8u s GLU 57 N -3.01 4.21 0.67 -1.24 2.12 -0.88 -5.08 118.70 115.49 2i8u s GLU 57 Ca 0.00 -0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.15 2i8u s GLU 57 Cb 0.00 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2i8u s GLU 57 CO 0.00 0.22 1.08 0.95 -0.54 0.00 0.00 175.26 176.97 2i8u s THR 58 N 0.55 3.60 0.34 -1.70 -4.23 -1.26 -4.79 115.64 108.15 2i8u s THR 58 Ca 0.13 0.66 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 2i8u s THR 58 Cb -0.12 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.66 2i8u s THR 58 CO 0.02 -0.54 1.88 -0.07 -0.54 0.00 0.00 174.62 175.37 2i8u h LEU 59 N -0.21 0.49 -0.35 4.79 3.38 -1.98 0.47 115.31 121.90 2i8u h LEU 59 Ca -0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2i8u h LEU 59 Cb 1.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2i8u h LEU 59 CO 0.55 0.55 0.19 -0.33 0.09 0.00 0.00 178.44 179.49 2i8u h GLU 60 N 0.50 0.48 -0.45 1.13 3.07 -2.00 -0.55 114.58 116.77 2i8u h GLU 60 Ca 0.11 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 2i8u h GLU 60 Cb 0.32 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2i8u h GLU 60 CO 0.01 0.40 -0.20 0.00 -1.40 0.00 0.00 179.01 177.82 2i8u h ALA 61 N 1.05 0.63 -0.88 3.43 0.00 -1.83 -2.98 119.26 118.68 2i8u h ALA 61 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2i8u h ALA 61 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2i8u h ALA 61 CO -0.02 0.60 0.49 0.00 0.00 0.00 0.00 179.25 180.32 2i8u h ALA 62 N 0.84 1.21 -0.61 0.00 0.00 -0.72 -0.97 119.26 119.01 2i8u h ALA 62 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2i8u h ALA 62 Cb 0.78 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2i8u h ALA 62 CO 0.06 0.65 0.32 0.35 0.00 0.00 0.00 179.25 180.63 2i8u h PHE 63 N 1.22 0.86 -0.28 0.00 3.57 -1.01 0.14 116.94 121.45 2i8u h PHE 63 Ca 0.31 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2i8u h PHE 63 Cb 0.02 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 2i8u h PHE 63 CO 0.01 0.64 -0.10 0.93 -2.23 0.00 0.00 178.31 177.56 2i8u h GLU 64 N 0.84 0.56 -0.42 1.11 5.08 -1.33 -0.97 114.58 119.45 2i8u h GLU 64 Ca 0.21 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2i8u h GLU 64 Cb 0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2i8u h GLU 64 CO -0.03 0.78 0.21 -0.09 -1.00 0.00 0.00 179.01 178.88 2i8u h ARG 65 N 0.31 0.60 -0.16 2.33 2.43 -0.97 -2.47 114.38 116.46 2i8u h ARG 65 Ca 0.07 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2i8u h ARG 65 Cb 0.59 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2i8u h ARG 65 CO 0.03 0.51 -0.74 -0.07 -1.51 0.00 0.00 179.97 178.20 2i8u h LEU 66 N 0.54 0.86 -0.66 3.80 3.38 -0.71 0.00 115.31 122.53 2i8u h LEU 66 Ca 0.15 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2i8u h LEU 66 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2i8u h LEU 66 CO -0.02 1.34 0.33 0.71 0.09 0.00 0.00 178.44 180.89 2i8u h THR 67 N 0.51 1.22 -0.21 0.22 1.35 -1.20 0.11 112.91 114.91 2i8u h THR 67 Ca -0.04 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2i8u h THR 67 Cb 1.35 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2i8u h THR 67 CO 0.15 0.25 0.10 -0.03 -0.25 0.00 0.00 175.52 175.73 2i8u h MET 68 N 0.91 0.31 -0.37 4.72 1.85 -1.33 0.43 114.93 121.44 2i8u h MET 68 Ca 0.23 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 59.18 2i8u h MET 68 Cb 0.09 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 2i8u h MET 68 CO -0.03 0.34 -0.15 0.00 -0.40 0.00 0.00 176.91 176.67 2i8u h ALA 69 N 0.95 1.05 0.08 0.39 0.00 -0.78 -0.36 119.26 120.59 2i8u h ALA 69 Ca 0.07 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 2i8u h ALA 69 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2i8u h ALA 69 CO -0.01 0.58 -1.80 0.93 0.00 0.00 0.00 179.25 178.95 2i8u h GLU 70 N 0.60 0.16 0.00 0.00 4.39 -0.73 -3.41 114.58 115.59 2i8u h GLU 70 Ca 0.10 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2i8u h GLU 70 Cb 0.60 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2i8u h GLU 70 CO 0.04 0.92 -0.49 1.28 -1.16 0.00 0.00 179.01 179.60 2i8u n LEU 71 N -3.31 0.29 -0.05 1.33 4.77 0.13 -4.43 117.00 115.74 2i8u n LEU 71 Ca -0.23 -0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 55.31 2i8u n LEU 71 Cb 1.05 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2i8u n LEU 71 CO 0.45 0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 177.19 2i8u n GLY 72 N 1.30 0.43 2.71 -0.72 0.00 -0.15 -1.31 105.19 107.46 2i8u n GLY 72 Ca 0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2i8u n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i8u s LEU 73 N -0.14 0.38 -0.06 0.99 2.96 -1.23 -4.22 118.68 117.35 2i8u s LEU 73 Ca 0.00 -0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.55 2i8u s LEU 73 Cb 0.00 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 2i8u s LEU 73 CO 0.00 -0.23 1.08 -0.60 -1.32 0.00 0.00 176.35 175.28 2i8u s ARG 74 N 2.07 4.42 0.05 1.98 3.52 -1.26 -3.01 118.95 126.72 2i8u s ARG 74 Ca 0.05 1.52 0.07 0.00 -0.13 0.00 0.00 55.73 57.24 2i8u s ARG 74 Cb -0.13 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 2i8u s ARG 74 CO -0.04 -0.31 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.43 2i8u s LEU 75 N 1.83 2.18 0.51 -0.88 1.43 -1.26 -4.95 118.68 117.53 2i8u s LEU 75 Ca 0.52 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 2i8u s LEU 75 Cb -0.22 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 2i8u s LEU 75 CO 0.22 0.13 0.94 -2.16 0.23 0.00 0.00 176.35 175.71 2i8u s PRO 76 N -1.21 3.83 0.58 1.29 0.04 -1.26 -3.79 135.00 134.48 2i8u s PRO 76 Ca 0.06 0.77 0.28 0.00 0.04 0.00 0.00 61.00 62.16 2i8u s PRO 76 Cb -0.09 -2.19 1.71 0.00 0.04 0.00 0.00 34.50 33.98 2i8u s PRO 76 CO 0.02 -0.27 2.19 0.97 0.04 0.00 0.00 177.00 179.95 2i8u h ILE 77 N 0.69 0.55 0.00 0.56 2.10 -1.91 -0.60 117.51 118.90 2i8u h ILE 77 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2i8u h ILE 77 Cb 1.19 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 2i8u h ILE 77 CO 0.62 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 178.40 2i8u h THR 78 N 0.00 0.00 0.00 2.19 1.35 -1.98 -1.34 112.91 113.13 2i8u h THR 78 Ca 0.03 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2i8u h THR 78 Cb 0.18 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2i8u h THR 78 CO -0.00 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.19 2i8u h ALA 79 N 2.02 0.97 -2.66 6.62 0.00 -1.48 -3.46 119.26 121.27 2i8u h ALA 79 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.24 2i8u h ALA 79 Cb 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2i8u h ALA 79 CO 0.00 0.10 -0.17 0.20 0.00 0.00 0.00 179.25 179.39 2i8u s GLY 80 N -4.24 2.48 -0.31 0.00 0.00 -0.51 -4.69 107.32 100.06 2i8u s GLY 80 Ca 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 2i8u s GLY 80 CO 0.63 0.13 0.30 1.62 0.00 0.00 0.00 173.10 175.78 2i8u s GLN 81 N -1.40 3.74 0.22 2.90 0.74 0.15 -4.88 119.66 121.13 2i8u s GLN 81 Ca 0.29 -0.34 -0.32 0.00 0.05 0.00 0.00 55.36 55.04 2i8u s GLN 81 Cb -0.16 -3.74 -0.13 0.00 1.10 0.00 0.00 33.01 30.08 2i8u s GLN 81 CO 0.16 -0.37 1.51 0.34 -0.55 0.00 0.00 175.29 176.38 2i8u n PHE 82 N 5.23 2.33 -2.62 1.67 7.35 -1.26 -0.86 117.46 129.31 2i8u n PHE 82 Ca -0.11 0.33 -0.16 0.00 -0.76 0.00 0.00 57.45 56.76 2i8u n PHE 82 Cb 0.50 -2.52 0.02 0.00 0.35 0.00 0.00 39.48 37.83 2i8u n PHE 82 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2i8u n TYR 83 N 2.54 1.93 0.00 -5.13 -0.00 0.99 -4.85 117.16 112.63 2i8u n TYR 83 Ca 0.13 -2.95 0.00 0.00 -0.00 0.00 0.00 57.90 55.08 2i8u n TYR 83 Cb 0.31 -0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.37 2i8u n TYR 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2i8u n GLY 84 N -0.19 -0.82 3.45 2.98 0.00 -1.26 -4.30 105.19 105.04 2i8u n GLY 84 Ca 0.20 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 2i8u n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8u s VAL 85 N -2.13 3.67 0.32 1.61 1.01 -1.26 -1.42 120.40 122.20 2i8u s VAL 85 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2i8u s VAL 85 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2i8u s VAL 85 CO 0.00 0.49 0.02 0.26 0.00 0.00 0.00 175.10 175.87 2i8u s TRP 86 N 0.54 2.02 -0.04 5.22 0.52 0.28 -4.96 118.94 122.52 2i8u s TRP 86 Ca -0.04 -0.85 -0.00 0.00 0.02 0.00 0.00 56.10 55.23 2i8u s TRP 86 Cb -0.15 -1.30 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2i8u s TRP 86 CO 0.03 0.13 0.00 -0.65 0.02 0.00 0.00 176.95 176.48 2i8u s GLN 87 N -3.83 0.39 -0.15 4.98 -0.21 -1.26 -0.42 119.66 119.17 2i8u s GLN 87 Ca 0.34 0.09 0.02 0.00 0.02 0.00 0.00 55.36 55.83 2i8u s GLN 87 Cb 0.08 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 33.47 2i8u s GLN 87 CO 0.15 -0.18 -0.21 -1.01 -2.12 0.00 0.00 175.29 171.91 2i8u s HIS 88 N 1.31 2.67 -0.12 0.91 3.76 -0.34 -5.00 115.29 118.48 2i8u s HIS 88 Ca -0.06 -1.39 0.03 0.00 -0.15 0.00 0.00 55.06 53.49 2i8u s HIS 88 Cb -0.13 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.74 2i8u s HIS 88 CO -0.02 -0.65 -0.23 -0.06 -0.85 0.00 0.00 174.74 172.93 2i8u s PHE 89 N 0.92 2.57 0.06 1.40 0.08 -1.26 -0.82 117.98 120.92 2i8u s PHE 89 Ca -0.05 -1.16 0.06 0.00 0.12 0.00 0.00 56.93 55.91 2i8u s PHE 89 Cb -0.15 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2i8u s PHE 89 CO -0.04 -0.50 -0.17 0.71 -0.10 0.00 0.00 175.22 175.12 2i8u s TYR 90 N 0.56 1.49 -1.04 0.36 2.02 -0.11 -5.01 117.35 115.61 2i8u s TYR 90 Ca -0.14 -0.39 0.29 0.00 -0.37 0.00 0.00 57.07 56.46 2i8u s TYR 90 Cb -0.17 -0.86 1.19 0.00 -0.40 0.00 0.00 41.96 41.73 2i8u s TYR 90 CO 0.04 0.09 1.89 -0.25 -1.57 0.00 0.00 175.55 175.75 2i8u n ASP 91 N 1.58 0.05 -3.36 2.29 8.00 -1.26 -1.43 116.55 122.42 2i8u n ASP 91 Ca -0.19 0.37 -0.17 0.00 0.71 0.00 0.00 54.79 55.51 2i8u n ASP 91 Cb 0.54 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 2i8u n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2i8u n ASP 92 N -1.48 2.56 -3.95 -2.24 5.75 -1.26 -4.06 116.55 111.88 2i8u n ASP 92 Ca 0.07 -2.19 -0.11 0.00 -0.01 0.00 0.00 54.79 52.55 2i8u n ASP 92 Cb 0.33 0.23 -0.07 0.00 -1.03 0.00 0.00 41.12 40.59 2i8u n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2i8u s ASN 93 N -2.48 0.18 0.57 -1.12 2.20 -0.41 -2.58 114.94 111.30 2i8u s ASN 93 Ca 0.01 -1.20 0.33 0.00 -0.94 0.00 0.00 52.86 51.06 2i8u s ASN 93 Cb 0.00 0.52 1.44 0.00 -2.00 0.00 0.00 41.25 41.21 2i8u s ASN 93 CO 0.01 -1.05 1.77 2.19 -2.94 0.00 0.00 177.10 177.08 2i8u h PHE 94 N 2.36 0.00 0.00 1.54 -5.15 -1.94 -2.54 116.94 111.22 2i8u h PHE 94 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2i8u h PHE 94 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 2i8u h PHE 94 CO 0.57 0.00 -0.16 -1.13 -2.00 0.00 0.00 178.31 175.59 2i8u n SER 95 N -3.89 1.29 0.00 -0.68 3.41 -1.26 -4.58 113.62 107.91 2i8u n SER 95 Ca 0.19 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 2i8u n SER 95 Cb 1.09 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2i8u n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i8u n GLY 96 N -0.68 -1.26 0.09 5.00 0.00 -0.96 -4.99 105.19 102.40 2i8u n GLY 96 Ca 0.07 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.17 2i8u n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i8u n THR 97 N 4.33 1.63 1.08 2.61 -2.24 -1.26 -1.28 114.28 119.15 2i8u n THR 97 Ca 0.00 -1.94 0.12 0.00 -2.27 0.00 0.00 64.05 59.96 2i8u n THR 97 Cb 0.00 -0.09 0.14 0.00 -2.10 0.00 0.00 70.33 68.28 2i8u n THR 97 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2i8u n ASP 98 N -1.22 1.25 -3.46 3.42 5.75 -1.26 -4.83 116.55 116.20 2i8u n ASP 98 Ca 0.13 -1.00 -0.12 0.00 -0.01 0.00 0.00 54.79 53.79 2i8u n ASP 98 Cb 0.60 0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 41.09 2i8u n ASP 98 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2i8u s PHE 99 N -2.68 -0.50 0.60 2.11 -0.12 -1.26 -5.12 117.98 111.01 2i8u s PHE 99 Ca 0.17 0.33 -0.08 0.00 -0.05 0.00 0.00 56.93 57.30 2i8u s PHE 99 Cb 0.18 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 43.07 2i8u s PHE 99 CO 0.64 -0.81 0.95 0.95 -0.05 0.00 0.00 175.22 176.89 2i8u s THR 100 N -3.57 4.01 -0.02 -4.49 -4.23 -1.26 -3.44 115.64 102.63 2i8u s THR 100 Ca 0.00 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.88 2i8u s THR 100 Cb -0.01 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 2i8u s THR 100 CO -0.11 -0.68 -0.25 -0.89 -0.54 0.00 0.00 174.62 172.14 2i8u s THR 101 N -3.07 2.00 -0.07 3.99 2.01 -0.52 -4.52 115.64 115.46 2i8u s THR 101 Ca 0.54 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2i8u s THR 101 Cb -0.11 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.76 2i8u s THR 101 CO 0.48 0.57 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.64 2i8u s HIS 102 N -0.56 1.10 -0.03 4.92 5.04 -1.26 -0.94 115.29 123.56 2i8u s HIS 102 Ca 0.09 -0.42 0.07 0.00 -1.54 0.00 0.00 55.06 53.25 2i8u s HIS 102 Cb -0.10 -0.94 -0.02 0.00 0.04 0.00 0.00 32.58 31.56 2i8u s HIS 102 CO -0.01 -0.33 -0.24 0.71 -2.34 0.00 0.00 174.74 172.53 2i8u s TYR 103 N 1.31 2.40 -0.22 3.88 2.02 -0.00 -0.17 117.35 126.55 2i8u s TYR 103 Ca -0.04 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 2i8u s TYR 103 Cb -0.14 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 2i8u s TYR 103 CO -0.03 -0.02 0.08 0.08 -1.57 0.00 0.00 175.55 174.09 2i8u s VAL 104 N -0.58 4.57 -0.07 0.71 1.01 0.01 -1.20 120.40 124.85 2i8u s VAL 104 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2i8u s VAL 104 Cb -0.10 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2i8u s VAL 104 CO -0.00 0.38 -0.24 -0.69 0.00 0.00 0.00 175.10 174.55 2i8u s VAL 105 N 1.13 2.16 -0.29 2.92 1.01 0.44 -1.21 120.40 126.55 2i8u s VAL 105 Ca 0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2i8u s VAL 105 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2i8u s VAL 105 CO 0.03 0.57 0.14 -0.76 0.00 0.00 0.00 175.10 175.08 2i8u s LEU 106 N -0.06 3.95 0.21 3.92 1.43 0.24 -0.56 118.68 127.81 2i8u s LEU 106 Ca -0.06 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 2i8u s LEU 106 Cb -0.15 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 2i8u s LEU 106 CO 0.05 -0.15 0.65 -0.83 0.23 0.00 0.00 176.35 176.30 2i8u s GLY 107 N 1.62 2.51 -0.02 -3.19 0.00 -0.50 -1.55 107.32 106.19 2i8u s GLY 107 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2i8u s GLY 107 CO 0.06 0.32 -0.00 -1.36 0.00 0.00 0.00 173.10 172.12 2i8u s PHE 108 N -1.57 0.21 -0.07 1.90 0.08 -0.36 -0.01 117.98 118.16 2i8u s PHE 108 Ca 0.43 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.49 2i8u s PHE 108 Cb -0.15 -0.27 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 2i8u s PHE 108 CO 0.20 -0.07 -0.08 0.50 -0.10 0.00 0.00 175.22 175.67 2i8u s ARG 109 N 0.62 2.80 0.06 0.44 3.52 -0.04 -0.43 118.95 125.91 2i8u s ARG 109 Ca -0.06 -0.57 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 2i8u s ARG 109 Cb -0.09 -2.58 0.08 0.00 -1.56 0.00 0.00 34.95 30.80 2i8u s ARG 109 CO -0.01 0.61 0.68 -0.59 -0.81 0.00 0.00 175.30 175.18 2i8u s PHE 110 N -0.68 -0.54 -0.08 5.12 -0.12 -0.68 -0.67 117.98 120.33 2i8u s PHE 110 Ca 0.10 0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 57.53 2i8u s PHE 110 Cb -0.11 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2i8u s PHE 110 CO 0.02 -0.71 0.02 0.50 -0.05 0.00 0.00 175.22 174.99 2i8u s ARG 111 N -2.76 3.02 0.23 1.99 3.52 -1.26 -0.97 118.95 122.73 2i8u s ARG 111 Ca -0.02 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2i8u s ARG 111 Cb -0.01 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 2i8u s ARG 111 CO -0.05 0.70 0.06 0.14 -0.81 0.00 0.00 175.30 175.34 2i8u s VAL 112 N -0.93 0.67 -0.21 7.11 -7.23 -0.20 -4.92 120.40 114.69 2i8u s VAL 112 Ca 0.14 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.16 2i8u s VAL 112 Cb -0.11 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2i8u s VAL 112 CO 0.04 -0.17 0.39 0.00 -0.31 0.00 0.00 175.10 175.05 2i8u s ALA 113 N -3.67 3.56 0.31 1.32 0.00 -1.26 -4.31 121.76 117.71 2i8u s ALA 113 Ca 0.33 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.77 2i8u s ALA 113 Cb 0.07 -2.65 0.72 0.00 0.00 0.00 0.00 23.12 21.26 2i8u s ALA 113 CO 0.11 -0.36 1.81 0.93 0.00 0.00 0.00 175.76 178.24 2i8u h GLU 114 N 7.51 0.78 0.00 0.00 5.08 -1.97 -1.60 114.58 124.37 2i8u h GLU 114 Ca -0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2i8u h GLU 114 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2i8u h GLU 114 CO 0.71 0.51 0.00 -1.91 -1.00 0.00 0.00 179.01 177.32 2i8u n GLU 115 N -4.68 0.13 0.00 2.33 4.07 -1.26 -1.95 120.64 119.27 2i8u n GLU 115 Ca 0.21 0.19 0.11 0.00 -0.06 0.00 0.00 57.16 57.61 2i8u n GLU 115 Cb 0.51 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.42 2i8u n GLU 115 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2i8u n GLU 116 N -1.37 1.62 -3.23 5.31 1.02 -0.60 -4.95 120.64 118.43 2i8u n GLU 116 Ca 0.06 -1.29 -0.25 0.00 -0.02 0.00 0.00 57.16 55.65 2i8u n GLU 116 Cb 0.14 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2i8u n GLU 116 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i8u s LEU 117 N -2.19 3.95 -0.48 -4.62 1.43 -0.82 -4.72 118.68 111.22 2i8u s LEU 117 Ca 0.21 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 2i8u s LEU 117 Cb 0.18 -3.45 0.17 0.00 0.03 0.00 0.00 46.19 43.13 2i8u s LEU 117 CO 0.44 -0.34 0.39 0.18 0.23 0.00 0.00 176.35 177.25 2i8u n LEU 118 N -1.77 0.36 -4.66 1.79 4.77 -0.43 -5.01 117.00 112.06 2i8u n LEU 118 Ca -0.03 -4.58 -0.42 0.00 -0.03 0.00 0.00 56.01 50.94 2i8u n LEU 118 Cb 0.56 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 2i8u n LEU 118 CO 0.49 1.85 1.51 -0.76 -1.33 0.00 0.00 177.39 179.16 2i8u s LEU 119 N -0.36 4.36 0.62 2.23 1.43 -1.24 -3.45 118.68 122.28 2i8u s LEU 119 Ca 0.31 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.78 2i8u s LEU 119 Cb 0.03 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2i8u s LEU 119 CO -0.19 -1.02 1.01 -2.16 0.23 0.00 0.00 176.35 174.22 2i8u s PRO 120 N 4.34 3.46 0.00 1.29 0.04 -1.26 -5.01 135.00 137.85 2i8u s PRO 120 Ca 0.83 0.63 0.16 0.00 0.04 0.00 0.00 61.00 62.65 2i8u s PRO 120 Cb -0.39 -2.10 0.34 0.00 0.04 0.00 0.00 34.50 32.39 2i8u s PRO 120 CO 0.37 -0.61 1.25 -0.40 0.04 0.00 0.00 177.00 177.64 2i8u n ASP 121 N -2.74 3.00 -0.12 6.66 5.68 -1.26 -4.54 116.55 123.23 2i8u n ASP 121 Ca 0.06 -1.89 -0.11 0.00 -0.50 0.00 0.00 54.79 52.34 2i8u n ASP 121 Cb 0.55 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 2i8u n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2i8u h GLU 122 N 2.98 0.67 -0.00 0.11 3.07 -1.95 -3.35 114.58 116.11 2i8u h GLU 122 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2i8u h GLU 122 Cb 0.78 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2i8u h GLU 122 CO 0.00 0.83 -0.49 1.04 -1.40 0.00 0.00 179.01 178.99 2i8u n GLN 123 N -4.42 2.70 -3.89 2.33 6.02 -1.26 -4.88 117.38 113.99 2i8u n GLN 123 Ca -0.02 -0.19 -0.11 0.00 -0.01 0.00 0.00 57.00 56.67 2i8u n GLN 123 Cb 0.34 -1.10 -0.13 0.00 1.02 0.00 0.00 30.24 30.37 2i8u n GLN 123 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2i8u s HIS 124 N -2.00 0.03 -2.75 1.08 3.76 -1.26 -1.34 115.29 112.82 2i8u s HIS 124 Ca 0.06 -0.06 0.23 0.00 -0.15 0.00 0.00 55.06 55.14 2i8u s HIS 124 Cb 0.09 -0.04 0.25 0.00 1.11 0.00 0.00 32.58 34.00 2i8u s HIS 124 CO 0.45 -0.06 1.28 -0.40 -0.85 0.00 0.00 174.74 175.16 2i8u n ASP 125 N 2.68 3.09 -3.54 1.40 5.68 -0.58 -4.49 116.55 120.78 2i8u n ASP 125 Ca -0.15 -1.97 -0.09 0.00 -0.50 0.00 0.00 54.79 52.08 2i8u n ASP 125 Cb 0.59 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 2i8u n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2i8u s ASP 126 N -1.79 -0.34 0.00 -1.12 2.15 -1.26 -4.98 116.67 109.33 2i8u s ASP 126 Ca 0.30 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.41 2i8u s ASP 126 Cb 0.20 0.33 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 2i8u s ASP 126 CO 0.30 -0.49 -0.01 -0.31 -0.17 0.00 0.00 175.17 174.48 2i8u s TYR 127 N -2.42 0.12 0.03 -5.34 2.02 -1.26 -1.27 117.35 109.23 2i8u s TYR 127 Ca 0.03 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 2i8u s TYR 127 Cb -0.01 -0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.45 2i8u s TYR 127 CO -0.05 -0.04 -0.03 1.03 -1.57 0.00 0.00 175.55 174.88 2i8u s ARG 128 N -0.35 0.40 -0.32 -0.62 0.52 -0.35 -5.01 118.95 113.22 2i8u s ARG 128 Ca -0.03 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2i8u s ARG 128 Cb -0.03 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.57 2i8u s ARG 128 CO -0.00 -0.06 0.14 -1.58 0.02 0.00 0.00 175.30 173.82 2i8u s TRP 129 N -2.13 3.18 0.05 -0.53 0.52 -1.26 -1.01 118.94 117.76 2i8u s TRP 129 Ca -0.09 -0.80 0.08 0.00 0.02 0.00 0.00 56.10 55.31 2i8u s TRP 129 Cb -0.05 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.90 2i8u s TRP 129 CO -0.03 -0.54 -0.21 -0.51 0.02 0.00 0.00 176.95 175.67 2i8u s LEU 130 N 1.56 2.44 0.57 2.99 1.43 0.10 -4.71 118.68 123.07 2i8u s LEU 130 Ca 0.03 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 2i8u s LEU 130 Cb -0.18 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2i8u s LEU 130 CO 0.05 0.25 1.05 0.42 0.23 0.00 0.00 176.35 178.35 2i8u s THR 131 N -0.90 3.81 0.26 5.49 -4.23 -1.26 -0.54 115.64 118.27 2i8u s THR 131 Ca 0.14 0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 61.55 2i8u s THR 131 Cb -0.10 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.59 2i8u s THR 131 CO 0.04 -0.46 1.73 -0.65 -0.54 0.00 0.00 174.62 174.75 2i8u h PRO 132 N 0.66 0.48 -0.67 3.99 0.11 -1.97 -1.51 132.00 133.09 2i8u h PRO 132 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2i8u h PRO 132 Cb 1.22 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2i8u h PRO 132 CO 0.58 0.32 0.40 -0.44 -0.21 0.00 0.00 178.00 178.64 2i8u h ASP 133 N 0.49 0.81 -0.30 -2.05 3.32 -1.96 -1.12 116.42 115.61 2i8u h ASP 133 Ca 0.47 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 2i8u h ASP 133 Cb 0.76 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2i8u h ASP 133 CO -0.43 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 2i8u h ALA 134 N 1.21 0.41 -0.20 3.45 0.00 -1.80 -2.46 119.26 119.86 2i8u h ALA 134 Ca 0.24 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2i8u h ALA 134 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2i8u h ALA 134 CO -0.04 0.15 -0.40 1.37 0.00 0.00 0.00 179.25 180.32 2i8u h LEU 135 N 0.33 0.50 -1.47 0.00 8.10 -1.18 -2.59 115.31 118.99 2i8u h LEU 135 Ca 0.09 -0.22 -0.04 0.00 0.11 0.00 0.00 57.88 57.82 2i8u h LEU 135 Cb 0.43 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2i8u h LEU 135 CO 0.01 0.85 -0.17 -0.07 -4.11 0.00 0.00 178.44 174.95 2i8u h LEU 136 N 0.39 0.00 -0.45 0.17 3.38 -1.15 -3.08 115.31 114.57 2i8u h LEU 136 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2i8u h LEU 136 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2i8u h LEU 136 CO 0.07 0.17 -0.08 0.00 0.09 0.00 0.00 178.44 178.69 2i8u n ALA 137 N -2.23 2.75 -3.45 1.53 0.00 -0.93 -4.86 120.51 113.32 2i8u n ALA 137 Ca -0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.77 2i8u n ALA 137 Cb 0.34 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 2i8u n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2i8u s SER 138 N -2.27 3.83 0.22 0.00 0.15 -1.16 -4.98 113.70 109.49 2i8u s SER 138 Ca 0.34 -0.44 0.21 0.00 0.70 0.00 0.00 55.95 56.76 2i8u s SER 138 Cb 0.20 -1.61 0.92 0.00 -1.71 0.00 0.00 66.02 63.83 2i8u s SER 138 CO 0.43 0.07 1.65 -0.62 1.20 0.00 0.00 173.24 175.97 2i8u n GLU 139 N 4.16 0.16 0.00 5.44 1.02 -1.26 -2.27 120.64 127.88 2i8u n GLU 139 Ca -0.19 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 2i8u n GLU 139 Cb 0.52 -1.82 0.57 0.00 -0.02 0.00 0.00 31.44 30.69 2i8u n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2i8u n ASN 140 N -2.11 0.03 -4.68 1.62 3.02 -1.26 -4.58 115.26 107.30 2i8u n ASN 140 Ca 0.02 0.50 -0.38 0.00 -0.03 0.00 0.00 54.58 54.69 2i8u n ASN 140 Cb 0.19 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 2i8u n ASN 140 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i8u s VAL 141 N -3.00 5.16 0.43 2.41 1.01 -0.96 -0.72 120.40 124.73 2i8u s VAL 141 Ca 0.13 0.83 -0.25 0.00 0.00 0.00 0.00 61.98 62.69 2i8u s VAL 141 Cb 0.17 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 2i8u s VAL 141 CO 0.49 0.24 1.37 -2.28 0.00 0.00 0.00 175.10 174.91 2i8u s HIS 142 N 1.33 2.62 0.37 5.22 2.46 -0.75 -4.74 115.29 121.79 2i8u s HIS 142 Ca 0.22 1.33 0.14 0.00 0.47 0.00 0.00 55.06 57.22 2i8u s HIS 142 Cb -0.15 -3.80 0.99 0.00 -0.13 0.00 0.00 32.58 29.49 2i8u s HIS 142 CO 0.09 -2.55 1.79 0.00 -2.47 0.00 0.00 174.74 171.59 2i8u h ALA 143 N 2.46 2.05 0.00 1.58 0.00 -1.92 0.25 119.26 123.68 2i8u h ALA 143 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2i8u h ALA 143 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2i8u h ALA 143 CO 0.62 -0.43 0.00 -0.91 0.00 0.00 0.00 179.25 178.52 2i8u h ASN 144 N 0.50 0.00 0.17 0.00 2.35 -1.98 -1.77 115.58 114.86 2i8u h ASN 144 Ca 0.57 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.96 2i8u h ASN 144 Cb 1.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.60 2i8u h ASN 144 CO -0.31 0.00 -2.06 -1.20 -1.65 0.00 0.00 177.43 172.22 2i8u n SER 145 N -3.03 1.71 -0.19 5.81 7.64 -0.07 -4.38 113.62 121.11 2i8u n SER 145 Ca 0.00 0.17 0.03 0.00 1.01 0.00 0.00 58.87 60.09 2i8u n SER 145 Cb 0.26 -0.49 0.30 0.00 -1.01 0.00 0.00 64.21 63.27 2i8u n SER 145 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2i8u h ARG 146 N 0.04 0.85 0.00 1.43 3.08 -0.80 -2.67 114.38 116.31 2i8u h ARG 146 Ca -0.43 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 2i8u h ARG 146 Cb 2.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 2i8u h ARG 146 CO 0.05 0.56 -0.05 -0.39 -1.07 0.00 0.00 179.97 179.07 2i8u h VAL 147 N 0.87 0.40 0.00 2.04 -1.51 -1.53 -0.64 116.25 115.88 2i8u h VAL 147 Ca 0.29 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.51 2i8u h VAL 147 Cb 0.06 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2i8u h VAL 147 CO -0.08 0.05 -0.01 1.88 -1.23 0.00 0.00 177.57 178.17 2i8u h TYR 148 N 0.00 0.00 -0.01 5.19 0.05 -1.70 -2.94 116.97 117.56 2i8u h TYR 148 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2i8u h TYR 148 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2i8u h TYR 148 CO 0.00 0.01 -0.03 1.19 -1.05 0.00 0.00 178.16 178.28 2i8u n PHE 149 N -3.20 0.00 0.05 4.88 3.72 -0.26 -5.19 117.46 117.46 2i8u n PHE 149 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2i8u n PHE 149 Cb 0.14 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2i8u n PHE 149 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80