#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7i s SER 2 N 0.00 7.26 -0.14 0.41 0.01 -1.26 -5.26 113.70 114.73 1u7i s SER 2 Ca 0.00 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.83 1u7i s SER 2 Cb 0.00 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.73 1u7i s SER 2 CO 0.00 -0.12 0.75 0.00 0.41 0.00 0.00 173.24 174.28 1u7i s ALA 3 N -1.63 -1.81 -0.14 1.44 0.00 -1.26 -5.13 121.76 113.23 1u7i s ALA 3 Ca 0.51 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.81 1u7i s ALA 3 Cb -0.19 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1u7i s ALA 3 CO 0.24 -0.35 0.75 0.50 0.00 0.00 0.00 175.76 176.91 1u7i s ARG 4 N -0.68 4.33 -0.15 0.00 3.52 -1.26 -5.03 118.95 119.67 1u7i s ARG 4 Ca -0.06 0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 56.43 1u7i s ARG 4 Cb -0.02 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1u7i s ARG 4 CO 0.06 -0.19 -0.12 0.08 -0.81 0.00 0.00 175.30 174.32 1u7i s VAL 5 N 1.67 3.04 0.02 7.11 1.01 -1.26 -5.12 120.40 126.88 1u7i s VAL 5 Ca 0.36 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1u7i s VAL 5 Cb -0.17 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1u7i s VAL 5 CO 0.14 0.50 -0.02 -0.13 0.00 0.00 0.00 175.10 175.59 1u7i s ARG 6 N 0.67 0.37 0.70 2.72 1.81 -1.26 -5.11 118.95 118.84 1u7i s ARG 6 Ca -0.06 -0.69 -0.14 0.00 -1.72 0.00 0.00 55.73 53.11 1u7i s ARG 6 Cb -0.15 0.13 0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1u7i s ARG 6 CO 0.02 -0.06 1.14 -1.25 -0.68 0.00 0.00 175.30 174.47 1u7i s PRO 7 N -1.84 2.45 -0.08 3.54 0.04 -1.26 -4.88 135.00 132.96 1u7i s PRO 7 Ca -0.12 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1u7i s PRO 7 Cb -0.07 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.62 1u7i s PRO 7 CO -0.02 -1.55 0.17 0.12 0.04 0.00 0.00 177.00 175.76 1u7i s PHE 8 N -2.26 -0.21 0.00 0.56 5.36 -1.26 -1.40 117.98 118.77 1u7i s PHE 8 Ca 0.69 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1u7i s PHE 8 Cb -0.23 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.32 1u7i s PHE 8 CO 0.44 -0.22 0.00 1.28 -1.46 0.00 0.00 175.22 175.26 1u7i n LEU 9 N 4.66 0.00 -3.62 6.12 4.77 -0.15 -4.98 117.00 123.79 1u7i n LEU 9 Ca -0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.71 1u7i n LEU 9 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1u7i n LEU 9 CO 0.12 -0.33 0.77 -0.36 -1.33 0.00 0.00 177.39 176.26 1u7i s PHE 11 N 0.67 -0.43 -0.11 -1.77 0.08 -0.67 -2.18 117.98 113.58 1u7i s PHE 11 Ca 0.00 0.98 -0.12 0.00 0.12 0.00 0.00 56.93 57.90 1u7i s PHE 11 Cb 0.00 0.39 -0.05 0.00 -0.57 0.00 0.00 43.02 42.79 1u7i s PHE 11 CO 0.00 -0.24 0.28 -0.65 -0.10 0.00 0.00 175.22 174.50 1u7i s GLN 12 N -0.10 3.95 4.26 0.44 -0.21 -1.26 -0.00 119.66 126.74 1u7i s GLN 12 Ca 0.02 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1u7i s GLN 12 Cb -0.04 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.66 1u7i s GLN 12 CO -0.05 0.50 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1u7i n GLY 13 N 2.61 0.35 2.89 3.09 0.00 -0.28 -4.60 105.19 109.26 1u7i n GLY 13 Ca -0.15 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1u7i n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7i s VAL 14 N 0.00 1.94 0.00 1.61 1.01 -1.26 -3.79 120.40 119.90 1u7i s VAL 14 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1u7i s VAL 14 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1u7i s VAL 14 CO 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 175.10 174.38 1u7i n GLN 15 N 3.96 2.81 -0.18 2.72 6.02 -1.26 -4.96 117.38 126.49 1u7i n GLN 15 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.94 1u7i n GLN 15 Cb 0.38 -0.23 0.01 0.00 1.02 0.00 0.00 30.24 31.42 1u7i n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u7i h ALA 16 N 0.00 0.69 -0.30 -1.58 0.00 -1.89 0.11 119.26 116.29 1u7i h ALA 16 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1u7i h ALA 16 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u7i h ALA 16 CO 0.00 0.42 -0.39 1.49 0.00 0.00 0.00 179.25 180.78 1u7i h GLU 17 N 0.74 0.70 -0.75 0.00 4.81 -1.96 -2.67 114.58 115.46 1u7i h GLU 17 Ca 0.16 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1u7i h GLU 17 Cb 0.40 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1u7i h GLU 17 CO 0.01 0.97 0.35 0.00 -0.73 0.00 0.00 179.01 179.61 1u7i h ALA 18 N 0.99 0.97 0.00 2.92 0.00 -1.85 -0.51 119.26 121.78 1u7i h ALA 18 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u7i h ALA 18 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u7i h ALA 18 CO 0.08 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1u7i n ALA 19 N -2.39 1.60 0.00 0.00 0.00 -0.00 -1.31 120.51 118.41 1u7i n ALA 19 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1u7i n ALA 19 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1u7i n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u7i n ASN 21 N 0.58 0.00 0.07 0.00 5.03 -0.20 -0.75 115.26 119.99 1u7i n ASN 21 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1u7i n ASN 21 Cb 0.11 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.79 1u7i n ASN 21 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1u7i h PHE 22 N 0.00 -0.13 -0.76 3.10 3.57 -1.44 -2.36 116.94 118.93 1u7i h PHE 22 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1u7i h PHE 22 Cb 0.00 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1u7i h PHE 22 CO 0.00 0.07 0.38 1.88 -2.23 0.00 0.00 178.31 178.41 1u7i h TYR 23 N -0.30 1.06 0.00 0.41 0.05 -1.20 -1.36 116.97 115.62 1u7i h TYR 23 Ca -0.01 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1u7i h TYR 23 Cb 0.25 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1u7i h TYR 23 CO -0.02 0.76 -0.17 -0.07 -1.05 0.00 0.00 178.16 177.61 1u7i h LEU 24 N 1.07 0.00 -0.42 3.88 4.07 -1.78 -1.54 115.31 120.59 1u7i h LEU 24 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1u7i h LEU 24 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1u7i h LEU 24 CO -0.04 0.17 0.00 -1.54 -1.08 0.00 0.00 178.44 175.96 1u7i n SER 25 N -4.22 0.61 0.05 -0.43 3.41 -0.52 -3.41 113.62 109.11 1u7i n SER 25 Ca -0.02 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1u7i n SER 25 Cb 0.24 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1u7i n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u7i n LEU 26 N -2.14 0.61 -4.05 1.04 4.77 -0.58 -4.93 117.00 111.73 1u7i n LEU 26 Ca 0.03 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 1u7i n LEU 26 Cb 0.28 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 1u7i n LEU 26 CO 0.22 -0.05 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.41 1u7i s PHE 27 N -3.28 1.17 0.06 -1.77 0.08 -1.21 -4.99 117.98 108.04 1u7i s PHE 27 Ca -0.03 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.56 1u7i s PHE 27 Cb 0.10 -0.80 -0.16 0.00 -0.57 0.00 0.00 43.02 41.59 1u7i s PHE 27 CO 0.82 -0.10 1.28 0.22 -0.10 0.00 0.00 175.22 177.35 1u7i h ASP 28 N 6.24 0.69 -1.96 1.36 1.82 -1.92 -3.34 116.42 119.31 1u7i h ASP 28 Ca -0.33 -0.60 -0.75 0.00 -0.39 0.00 0.00 57.03 54.96 1u7i h ASP 28 Cb 1.17 -0.20 -0.18 0.00 0.68 0.00 0.00 39.33 40.80 1u7i h ASP 28 CO 0.49 1.17 1.55 -0.67 -1.61 0.00 0.00 179.24 180.17 1u7i n ASP 29 N -4.20 5.24 -3.74 2.28 2.03 -1.26 -4.92 116.55 111.98 1u7i n ASP 29 Ca -0.07 -3.06 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 1u7i n ASP 29 Cb 0.59 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.38 1u7i n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u7i s ALA 30 N 0.74 -0.95 0.14 -1.67 0.00 -1.25 0.63 121.76 119.39 1u7i s ALA 30 Ca 0.40 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 1u7i s ALA 30 Cb 0.02 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1u7i s ALA 30 CO 0.00 -0.20 0.50 -1.83 0.00 0.00 0.00 175.76 174.23 1u7i s GLU 31 N -0.10 1.18 -0.25 0.00 -1.05 -0.85 -4.99 118.70 112.64 1u7i s GLU 31 Ca -0.03 -0.61 -0.25 0.00 -0.15 0.00 0.00 54.97 53.94 1u7i s GLU 31 Cb -0.03 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1u7i s GLU 31 CO 0.01 -0.49 0.85 0.42 0.95 0.00 0.00 175.26 177.01 1u7i s ILE 32 N -3.78 4.80 -0.05 1.83 1.01 -1.26 -0.82 121.20 122.93 1u7i s ILE 32 Ca 0.02 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.14 1u7i s ILE 32 Cb 0.00 -4.15 -0.31 0.00 0.01 0.00 0.00 42.46 38.02 1u7i s ILE 32 CO -0.12 -0.12 0.67 -0.07 0.00 0.00 0.00 174.94 175.30 1u7i h LEU 33 N 9.27 0.61 -7.41 2.97 3.38 -0.97 -3.48 115.31 119.69 1u7i h LEU 33 Ca -0.23 -0.92 -0.17 0.00 0.09 0.00 0.00 57.88 56.65 1u7i h LEU 33 Cb 1.09 -0.20 -0.27 0.00 0.09 0.00 0.00 40.66 41.37 1u7i h LEU 33 CO 0.89 1.78 -0.42 -1.10 0.09 0.00 0.00 178.44 179.68 1u7i s GLN 34 N -2.58 0.28 -0.11 1.13 -0.21 -0.77 -4.98 119.66 112.43 1u7i s GLN 34 Ca -0.16 0.45 -0.07 0.00 0.02 0.00 0.00 55.36 55.60 1u7i s GLN 34 Cb 0.05 0.06 0.04 0.00 1.00 0.00 0.00 33.01 34.16 1u7i s GLN 34 CO 0.85 -0.08 0.27 -1.50 -2.12 0.00 0.00 175.29 172.71 1u7i s ILE 35 N 0.57 -0.03 -0.09 1.08 2.07 -1.26 -0.88 121.20 122.65 1u7i s ILE 35 Ca -0.03 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1u7i s ILE 35 Cb -0.05 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.16 1u7i s ILE 35 CO -0.03 0.04 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.39 1u7i s GLN 36 N 0.99 1.39 0.09 3.50 0.74 0.15 -5.00 119.66 121.51 1u7i s GLN 36 Ca -0.07 -0.23 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1u7i s GLN 36 Cb -0.08 -1.40 -0.04 0.00 1.10 0.00 0.00 33.01 32.59 1u7i s GLN 36 CO -0.07 -0.19 0.16 1.03 -0.55 0.00 0.00 175.29 175.67 1u7i s ARG 37 N 1.42 3.16 0.32 1.67 0.52 -1.26 -0.80 118.95 123.98 1u7i s ARG 37 Ca -0.01 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 1u7i s ARG 37 Cb -0.13 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.37 1u7i s ARG 37 CO -0.04 0.57 1.43 0.71 0.02 0.00 0.00 175.30 177.99 1u7i s TYR 38 N -1.51 2.85 0.00 -0.53 2.02 -0.22 -4.75 117.35 115.22 1u7i s TYR 38 Ca 0.32 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 1u7i s TYR 38 Cb -0.12 -3.87 0.00 0.00 -0.40 0.00 0.00 41.96 37.57 1u7i s TYR 38 CO 0.25 -2.62 0.00 0.41 -1.57 0.00 0.00 175.55 172.02 1u7i n GLY 39 N 1.16 1.15 0.24 0.71 0.00 -1.26 -0.87 105.19 106.31 1u7i n GLY 39 Ca 0.03 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1u7i n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u7i n ALA 40 N -3.00 2.72 0.29 4.61 0.00 -1.26 -3.62 120.51 120.25 1u7i n ALA 40 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.22 1u7i n ALA 40 Cb 0.00 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.38 1u7i n ALA 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1u7i h GLU 41 N 1.20 0.00 0.00 0.00 9.09 -1.93 -3.48 114.58 119.46 1u7i h GLU 41 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 1u7i h GLU 41 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1u7i h GLU 41 CO 0.00 0.00 -0.03 0.41 0.05 0.00 0.00 179.01 179.44 1u7i n GLY 42 N 1.14 -1.92 0.13 1.06 0.00 -1.26 -4.94 105.19 99.40 1u7i n GLY 42 Ca 0.04 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.83 1u7i n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u7i h PRO 43 N 0.00 0.00 -7.26 1.61 0.13 -1.97 -3.48 132.00 121.04 1u7i h PRO 43 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1u7i h PRO 43 Cb 0.08 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.28 1u7i h PRO 43 CO 0.00 0.00 0.27 0.20 -0.23 0.00 0.00 178.00 178.24 1u7i s GLY 44 N -3.64 1.61 0.34 1.56 0.00 -1.26 -4.96 107.32 100.97 1u7i s GLY 44 Ca 0.08 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1u7i s GLY 44 CO 0.53 -0.23 1.42 2.56 0.00 0.00 0.00 173.10 177.38 1u7i s PRO 45 N -5.13 4.22 0.10 2.90 0.04 -1.26 -4.90 135.00 130.97 1u7i s PRO 45 Ca 0.55 2.41 -0.35 0.00 0.04 0.00 0.00 61.00 63.65 1u7i s PRO 45 Cb -0.11 -3.02 -0.15 0.00 0.04 0.00 0.00 34.50 31.26 1u7i s PRO 45 CO 0.48 -0.40 1.51 -1.91 0.04 0.00 0.00 177.00 176.72 1u7i n GLU 46 N 0.88 1.72 0.00 4.56 2.13 -1.24 -1.53 120.64 127.16 1u7i n GLU 46 Ca 0.02 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1u7i n GLU 46 Cb 0.40 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1u7i n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u7i n GLY 47 N 3.15 2.35 3.82 8.31 0.00 -0.05 -4.95 105.19 117.80 1u7i n GLY 47 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1u7i n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u7i s SER 48 N -1.66 4.26 -0.41 1.61 1.04 -0.58 -4.73 113.70 113.23 1u7i s SER 48 Ca 0.00 1.10 -0.26 0.00 0.48 0.00 0.00 55.95 57.28 1u7i s SER 48 Cb 0.00 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.38 1u7i s SER 48 CO 0.00 -2.09 0.92 -0.69 0.98 0.00 0.00 173.24 172.36 1u7i s VAL 49 N -3.27 4.54 -0.02 5.02 1.01 -1.26 -1.05 120.40 125.36 1u7i s VAL 49 Ca 0.62 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 63.33 1u7i s VAL 49 Cb -0.14 -4.37 -0.20 0.00 0.00 0.00 0.00 36.38 31.67 1u7i s VAL 49 CO 0.53 -0.66 1.28 0.25 0.00 0.00 0.00 175.10 176.50 1u7i h LEU 50 N 10.28 0.01 -7.08 3.92 6.46 -1.26 -1.52 115.31 126.12 1u7i h LEU 50 Ca -0.24 -0.48 -0.06 0.00 -0.12 0.00 0.00 57.88 56.99 1u7i h LEU 50 Cb 1.08 -0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 40.79 1u7i h LEU 50 CO 1.00 0.48 0.03 -0.75 -0.62 0.00 0.00 178.44 178.59 1u7i s LYS 51 N -4.30 0.74 0.06 1.25 2.47 -1.00 -4.70 119.74 114.27 1u7i s LYS 51 Ca -0.16 0.89 -0.10 0.00 -1.56 0.00 0.00 55.97 55.05 1u7i s LYS 51 Cb 0.02 0.36 0.00 0.00 -1.46 0.00 0.00 37.83 36.75 1u7i s LYS 51 CO 0.68 -0.09 0.20 0.00 0.16 0.00 0.00 175.35 176.30 1u7i s ALA 52 N 0.36 -0.34 -0.05 3.13 0.00 -0.57 -0.67 121.76 123.62 1u7i s ALA 52 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1u7i s ALA 52 Cb -0.04 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1u7i s ALA 52 CO 0.01 -0.43 -0.03 -1.17 0.00 0.00 0.00 175.76 174.14 1u7i s LEU 53 N -2.41 1.14 0.30 0.00 2.96 -0.06 -1.40 118.68 119.20 1u7i s LEU 53 Ca -0.01 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1u7i s LEU 53 Cb 0.01 -0.44 -0.06 0.00 0.50 0.00 0.00 46.19 46.20 1u7i s LEU 53 CO -0.07 -0.09 0.02 0.72 -1.32 0.00 0.00 176.35 175.60 1u7i s PHE 54 N 1.20 1.90 0.02 5.38 -0.12 -0.41 -0.28 117.98 125.66 1u7i s PHE 54 Ca -0.07 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 55.95 1u7i s PHE 54 Cb -0.14 -1.18 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 1u7i s PHE 54 CO -0.02 0.08 -0.06 -0.98 -0.05 0.00 0.00 175.22 174.19 1u7i s ARG 55 N -3.84 0.45 -0.29 1.99 1.70 -0.00 -0.24 118.95 118.71 1u7i s ARG 55 Ca 0.33 -0.42 0.02 0.00 -0.47 0.00 0.00 55.73 55.19 1u7i s ARG 55 Cb 0.07 -0.33 0.07 0.00 -0.57 0.00 0.00 34.95 34.18 1u7i s ARG 55 CO 0.13 0.08 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.88 1u7i s LEU 56 N -0.75 3.86 0.00 -1.89 1.43 -0.11 -2.01 118.68 119.22 1u7i s LEU 56 Ca -0.03 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.54 1u7i s LEU 56 Cb -0.05 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1u7i s LEU 56 CO 0.00 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1u7i n GLY 57 N 4.45 3.32 0.53 -3.19 0.00 0.20 -1.47 105.19 109.04 1u7i n GLY 57 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1u7i n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u7i n ASP 58 N 3.66 1.53 -4.35 1.61 5.75 -1.26 -4.78 116.55 118.70 1u7i n ASP 58 Ca 0.00 -2.03 -0.39 0.00 -0.01 0.00 0.00 54.79 52.36 1u7i n ASP 58 Cb 0.00 -0.21 -0.12 0.00 -1.03 0.00 0.00 41.12 39.76 1u7i n ASP 58 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1u7i s GLN 59 N -1.64 2.89 0.18 0.11 2.00 -0.54 -5.08 119.66 117.58 1u7i s GLN 59 Ca 0.18 -1.01 -0.12 0.00 -2.00 0.00 0.00 55.36 52.41 1u7i s GLN 59 Cb 0.10 -3.56 -0.07 0.00 0.80 0.00 0.00 33.01 30.27 1u7i s GLN 59 CO 0.11 -0.60 0.54 -1.12 -0.50 0.00 0.00 175.29 173.72 1u7i s SER 60 N 1.51 6.71 -0.03 6.67 0.01 -1.26 -0.93 113.70 126.38 1u7i s SER 60 Ca 0.01 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1u7i s SER 60 Cb -0.19 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1u7i s SER 60 CO 0.05 0.02 0.01 -0.69 0.41 0.00 0.00 173.24 173.03 1u7i s VAL 61 N -1.64 0.14 0.41 3.43 1.01 0.66 -4.37 120.40 120.05 1u7i s VAL 61 Ca 0.42 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 1u7i s VAL 61 Cb -0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 1u7i s VAL 61 CO 0.20 0.14 0.85 -1.00 0.00 0.00 0.00 175.10 175.29 1u7i s HIS 62 N 1.06 3.41 0.16 5.22 3.76 -0.49 -1.29 115.29 127.11 1u7i s HIS 62 Ca -0.09 1.31 -0.17 0.00 -0.15 0.00 0.00 55.06 55.96 1u7i s HIS 62 Cb -0.13 -2.64 0.03 0.00 1.11 0.00 0.00 32.58 30.95 1u7i s HIS 62 CO -0.02 -0.12 0.46 0.00 -0.85 0.00 0.00 174.74 174.21 1u7i s ILE 64 N -3.84 0.16 -0.24 0.00 -4.36 -0.93 -1.52 121.20 110.48 1u7i s ILE 64 Ca 0.06 -1.56 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 1u7i s ILE 64 Cb 0.01 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 1u7i s ILE 64 CO -0.08 -0.74 0.28 -1.81 0.24 0.00 0.00 174.94 172.83 1u7i s ASP 65 N -2.92 6.23 -0.29 4.36 1.01 -0.57 -1.67 116.67 122.82 1u7i s ASP 65 Ca 0.09 0.26 -0.12 0.00 0.71 0.00 0.00 52.55 53.50 1u7i s ASP 65 Cb 0.06 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1u7i s ASP 65 CO -0.08 -0.05 0.21 -0.55 0.21 0.00 0.00 175.17 174.91 1u7i s SER 66 N 1.26 6.04 0.36 0.27 0.15 1.00 -4.79 113.70 117.98 1u7i s SER 66 Ca 0.13 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.99 1u7i s SER 66 Cb -0.15 -2.13 0.80 0.00 -1.71 0.00 0.00 66.02 62.84 1u7i s SER 66 CO 0.07 -0.09 1.75 1.12 1.20 0.00 0.00 173.24 177.30 1u7i h HIS 67 N 8.38 0.00 -3.31 3.44 2.07 -1.87 -0.72 115.15 123.14 1u7i h HIS 67 Ca -0.34 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.60 1u7i h HIS 67 Cb 1.18 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.10 1u7i h HIS 67 CO 0.75 0.00 0.37 0.08 -3.07 0.00 0.00 177.93 176.05 1u7i s VAL 68 N -3.28 4.89 0.11 6.12 1.01 -1.26 -4.85 120.40 123.14 1u7i s VAL 68 Ca 0.06 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 1u7i s VAL 68 Cb 0.09 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1u7i s VAL 68 CO 0.57 0.05 0.38 -0.13 0.00 0.00 0.00 175.10 175.97 1u7i s ARG 69 N 2.01 3.66 0.25 2.72 1.81 -1.26 -4.80 118.95 123.35 1u7i s ARG 69 Ca 0.39 0.00 0.02 0.00 -1.72 0.00 0.00 55.73 54.42 1u7i s ARG 69 Cb -0.17 -2.91 -0.05 0.00 -0.45 0.00 0.00 34.95 31.37 1u7i s ARG 69 CO 0.13 0.51 0.05 -1.01 -0.68 0.00 0.00 175.30 174.30 1u7i s HIS 70 N -1.55 1.58 0.04 -0.53 3.76 -1.26 -5.06 115.29 112.27 1u7i s HIS 70 Ca 0.37 -1.05 0.17 0.00 -0.15 0.00 0.00 55.06 54.40 1u7i s HIS 70 Cb -0.13 -0.95 0.40 0.00 1.11 0.00 0.00 32.58 33.01 1u7i s HIS 70 CO 0.22 -0.17 1.60 0.00 -0.85 0.00 0.00 174.74 175.53 1u7i h ALA 71 N 2.40 0.83 -2.50 -1.40 0.00 -2.08 -3.46 119.26 113.04 1u7i h ALA 71 Ca -0.39 -0.42 -0.47 0.00 0.00 0.00 0.00 54.91 53.63 1u7i h ALA 71 Cb 1.23 -0.07 0.09 0.00 0.00 0.00 0.00 17.79 19.04 1u7i h ALA 71 CO 0.64 0.58 0.36 -0.59 0.00 0.00 0.00 179.25 180.23 1u7i s PHE 72 N -3.30 3.03 0.34 0.00 -0.12 -1.26 -5.09 117.98 111.58 1u7i s PHE 72 Ca 0.02 0.73 -0.00 0.00 -0.05 0.00 0.00 56.93 57.62 1u7i s PHE 72 Cb 0.10 -3.31 -0.00 0.00 -0.63 0.00 0.00 43.02 39.17 1u7i s PHE 72 CO 0.72 -1.53 0.44 0.34 -0.05 0.00 0.00 175.22 175.13 1u7i s ASP 73 N -4.51 1.11 0.50 1.98 2.15 -1.26 -5.09 116.67 111.55 1u7i s ASP 73 Ca 0.60 -1.56 -0.23 0.00 0.43 0.00 0.00 52.55 51.80 1u7i s ASP 73 Cb -0.11 0.65 -0.07 0.00 -0.30 0.00 0.00 42.92 43.08 1u7i s ASP 73 CO 0.48 -1.26 1.19 0.49 -0.17 0.00 0.00 175.17 175.91 1u7i n PHE 74 N -0.58 1.76 -4.24 -5.34 3.72 -1.26 -5.04 117.46 106.47 1u7i n PHE 74 Ca 0.02 0.47 -0.14 0.00 -0.05 0.00 0.00 57.45 57.76 1u7i n PHE 74 Cb 0.62 -2.30 -0.10 0.00 -0.94 0.00 0.00 39.48 36.76 1u7i n PHE 74 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1u7i s THR 75 N -1.31 0.32 -1.73 4.37 -4.23 -1.26 -4.94 115.64 106.87 1u7i s THR 75 Ca 0.68 -1.98 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 1u7i s THR 75 Cb -0.47 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.30 1u7i s THR 75 CO 0.53 -0.14 1.36 -2.65 -0.54 0.00 0.00 174.62 173.17 1u7i n PRO 76 N -0.31 0.35 0.11 3.99 -0.02 -1.26 -3.43 135.00 134.43 1u7i n PRO 76 Ca -0.01 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1u7i n PRO 76 Cb 0.65 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.93 1u7i n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u7i h ALA 77 N 2.83 1.28 -3.31 3.55 0.00 -2.01 -3.40 119.26 118.20 1u7i h ALA 77 Ca 0.00 -0.33 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 1u7i h ALA 77 Cb 0.06 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.39 1u7i h ALA 77 CO 0.00 0.49 -0.79 0.12 0.00 0.00 0.00 179.25 179.08 1u7i s PHE 78 N -4.35 1.51 0.21 0.00 5.99 -1.22 -5.12 117.98 115.00 1u7i s PHE 78 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 56.93 55.93 1u7i s PHE 78 Cb 0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 43.02 41.89 1u7i s PHE 78 CO 0.75 -0.58 0.09 -1.54 -0.00 0.00 0.00 175.22 173.94 1u7i s SER 79 N 1.70 0.77 0.11 6.13 1.04 -1.26 -4.64 113.70 117.54 1u7i s SER 79 Ca 0.01 -1.34 -0.16 0.00 0.48 0.00 0.00 55.95 54.95 1u7i s SER 79 Cb -0.15 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.14 1u7i s SER 79 CO -0.07 -0.74 0.54 -0.36 0.98 0.00 0.00 173.24 173.58 1u7i s PHE 80 N -3.90 3.68 -0.12 5.02 0.08 -0.49 -5.01 117.98 117.25 1u7i s PHE 80 Ca 0.35 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.54 1u7i s PHE 80 Cb 0.07 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1u7i s PHE 80 CO 0.11 0.50 -0.21 0.12 -0.10 0.00 0.00 175.22 175.63 1u7i s PHE 81 N -1.32 2.45 -0.21 0.36 5.36 -1.26 -0.40 117.98 122.95 1u7i s PHE 81 Ca 0.34 -1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 55.16 1u7i s PHE 81 Cb -0.16 -1.67 0.01 0.00 -0.34 0.00 0.00 43.02 40.85 1u7i s PHE 81 CO 0.18 -0.51 -0.10 0.08 -1.46 0.00 0.00 175.22 173.42 1u7i s VAL 82 N 0.67 2.78 -0.67 3.12 1.01 0.33 -4.97 120.40 122.68 1u7i s VAL 82 Ca -0.11 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1u7i s VAL 82 Cb -0.16 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1u7i s VAL 82 CO 0.02 0.41 1.19 -1.81 0.00 0.00 0.00 175.10 174.91 1u7i s ASP 83 N 1.37 6.27 0.49 3.32 1.01 -1.26 -1.09 116.67 126.77 1u7i s ASP 83 Ca 0.04 -0.32 -0.16 0.00 0.71 0.00 0.00 52.55 52.82 1u7i s ASP 83 Cb -0.14 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 1u7i s ASP 83 CO -0.07 -1.64 0.94 0.00 0.21 0.00 0.00 175.17 174.62 1u7i h GLU 85 N 1.06 0.00 -3.17 0.00 5.08 -1.95 -3.42 114.58 112.18 1u7i h GLU 85 Ca -0.47 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1u7i h GLU 85 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1u7i h GLU 85 CO 0.62 0.63 0.11 -1.54 -1.00 0.00 0.00 179.01 177.83 1u7i s SER 86 N -6.25 -0.34 0.21 1.42 1.04 -1.26 -5.03 113.70 103.48 1u7i s SER 86 Ca -0.03 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 1u7i s SER 86 Cb 0.08 0.61 0.16 0.00 0.10 0.00 0.00 66.02 66.98 1u7i s SER 86 CO 0.82 -1.08 1.86 0.78 0.98 0.00 0.00 173.24 176.61 1u7i h ASN 87 N 2.11 0.79 -0.44 7.02 2.35 -1.99 -1.85 115.58 123.57 1u7i h ASN 87 Ca -0.28 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1u7i h ASN 87 Cb 1.27 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.40 1u7i h ASN 87 CO 0.35 0.56 0.09 0.00 -1.65 0.00 0.00 177.43 176.78 1u7i h ALA 88 N 1.28 0.49 -0.25 -0.83 0.00 -1.99 -0.97 119.26 116.99 1u7i h ALA 88 Ca 0.27 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1u7i h ALA 88 Cb -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u7i h ALA 88 CO -0.08 -0.31 -0.04 0.37 0.00 0.00 0.00 179.25 179.19 1u7i h GLN 89 N 0.23 0.46 -0.42 0.00 4.15 -1.91 -1.91 115.11 115.70 1u7i h GLN 89 Ca 0.22 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 1u7i h GLN 89 Cb 0.27 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1u7i h GLN 89 CO -0.28 0.67 -0.09 0.97 -1.93 0.00 0.00 178.83 178.16 1u7i h ILE 90 N 0.21 1.25 -0.31 2.39 2.10 -1.09 -0.69 117.51 121.37 1u7i h ILE 90 Ca 0.06 -1.12 -0.03 0.00 1.08 0.00 0.00 64.86 64.85 1u7i h ILE 90 Cb 0.49 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 1u7i h ILE 90 CO 0.02 0.38 0.07 -0.33 -1.08 0.00 0.00 178.15 177.21 1u7i h GLU 91 N 0.68 0.51 -0.14 2.19 5.08 -1.10 -0.13 114.58 121.67 1u7i h GLU 91 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1u7i h GLU 91 Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u7i h GLU 91 CO 0.03 0.59 0.09 -0.09 -1.00 0.00 0.00 179.01 178.63 1u7i h ARG 92 N 0.35 0.18 -0.50 2.33 2.43 -1.11 -1.89 114.38 116.17 1u7i h ARG 92 Ca 0.10 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1u7i h ARG 92 Cb 0.31 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1u7i h ARG 92 CO 0.00 0.12 0.05 -0.07 -1.51 0.00 0.00 179.97 178.57 1u7i h LEU 93 N 0.19 0.83 -0.79 3.80 3.38 -1.08 -1.20 115.31 120.43 1u7i h LEU 93 Ca 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1u7i h LEU 93 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1u7i h LEU 93 CO -0.01 0.90 0.45 0.00 0.09 0.00 0.00 178.44 179.87 1u7i h ALA 94 N 0.96 1.01 -0.19 1.53 0.00 -0.92 0.49 119.26 122.14 1u7i h ALA 94 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u7i h ALA 94 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u7i h ALA 94 CO 0.02 0.51 0.07 1.49 0.00 0.00 0.00 179.25 181.33 1u7i h GLU 95 N 1.09 0.29 -0.19 0.00 4.57 -1.18 -1.83 114.58 117.34 1u7i h GLU 95 Ca 0.28 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1u7i h GLU 95 Cb -0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1u7i h GLU 95 CO -0.05 0.38 -0.02 0.00 -1.18 0.00 0.00 179.01 178.15 1u7i h ALA 96 N 0.89 0.26 -0.05 2.92 0.00 -0.98 -2.61 119.26 119.69 1u7i h ALA 96 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1u7i h ALA 96 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u7i h ALA 96 CO -0.00 -0.01 -0.44 -0.07 0.00 0.00 0.00 179.25 178.73 1u7i h LEU 97 N 0.08 0.13 0.00 0.00 3.38 -0.91 -2.78 115.31 115.21 1u7i h LEU 97 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u7i h LEU 97 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1u7i h LEU 97 CO 0.01 0.56 -0.23 -1.54 0.09 0.00 0.00 178.44 177.33 1u7i n SER 98 N -4.01 0.34 -4.60 -0.43 3.41 -0.69 -4.14 113.62 103.51 1u7i n SER 98 Ca -0.02 0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 1u7i n SER 98 Cb 0.48 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1u7i n SER 98 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u7i s ASP 99 N -3.32 5.96 0.00 4.04 2.15 -0.99 -0.71 116.67 123.79 1u7i s ASP 99 Ca 0.12 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1u7i s ASP 99 Cb 0.17 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1u7i s ASP 99 CO 0.61 -1.66 0.00 0.61 -0.17 0.00 0.00 175.17 174.56 1u7i n GLY 100 N 5.37 0.68 0.00 2.66 0.00 -1.26 -4.52 105.19 108.12 1u7i n GLY 100 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1u7i n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u7i n GLY 101 N -2.18 4.41 2.94 -0.02 0.00 0.11 -4.14 105.19 106.31 1u7i n GLY 101 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 1u7i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u7i s LYS 102 N 2.44 0.55 -0.94 1.61 1.02 0.56 -4.95 119.74 120.02 1u7i s LYS 102 Ca 0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 1u7i s LYS 102 Cb 0.00 -0.56 0.17 0.00 -0.52 0.00 0.00 37.83 36.93 1u7i s LYS 102 CO 0.00 0.05 1.05 0.00 -0.92 0.00 0.00 175.35 175.53 1u7i s ALA 103 N 0.23 3.76 -2.00 5.17 0.00 -1.26 -0.71 121.76 126.95 1u7i s ALA 103 Ca -0.03 -3.09 0.01 0.00 0.00 0.00 0.00 51.96 48.86 1u7i s ALA 103 Cb -0.06 -3.86 0.04 0.00 0.00 0.00 0.00 23.12 19.24 1u7i s ALA 103 CO -0.00 -2.69 0.28 1.28 0.00 0.00 0.00 175.76 174.63 1u7i n LEU 104 N 5.38 0.00 -4.09 0.00 4.77 -0.20 -5.00 117.00 117.86 1u7i n LEU 104 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1u7i n LEU 104 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1u7i n LEU 104 CO 0.46 0.00 -0.41 -2.84 -1.33 0.00 0.00 177.39 173.27 1u7i s PRO 106 N -2.00 0.60 0.02 3.23 0.02 -1.26 -4.96 135.00 130.65 1u7i s PRO 106 Ca 0.01 -0.84 -0.37 0.00 0.02 0.00 0.00 61.00 59.82 1u7i s PRO 106 Cb 0.01 -0.35 -0.16 0.00 0.02 0.00 0.00 34.50 34.02 1u7i s PRO 106 CO 0.01 0.06 1.50 -0.11 -0.33 0.00 0.00 177.00 178.13 1u7i n LEU 107 N 1.28 2.22 0.00 -5.54 7.94 -1.26 -4.70 117.00 116.93 1u7i n LEU 107 Ca -0.21 1.09 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 1u7i n LEU 107 Cb 0.55 -1.24 0.01 0.00 0.53 0.00 0.00 43.42 43.27 1u7i n LEU 107 CO 0.22 -0.70 0.97 0.61 -1.11 0.00 0.00 177.39 177.38 1u7i n GLY 108 N 3.15 0.32 3.45 -3.96 0.00 -0.71 -4.98 105.19 102.46 1u7i n GLY 108 Ca 0.20 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1u7i n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u7i s ASP 109 N -3.57 6.12 0.00 1.61 -1.08 -1.26 -0.50 116.67 117.99 1u7i s ASP 109 Ca 0.27 -0.96 0.21 0.00 -0.52 0.00 0.00 52.55 51.55 1u7i s ASP 109 Cb -0.01 -2.17 0.54 0.00 -1.46 0.00 0.00 42.92 39.82 1u7i s ASP 109 CO 0.00 -0.49 1.46 -1.22 0.52 0.00 0.00 175.17 175.44 1u7i n TYR 110 N 5.19 0.68 0.00 -5.34 4.01 -1.26 -4.96 117.16 115.47 1u7i n TYR 110 Ca -0.11 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1u7i n TYR 110 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1u7i n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u7i n GLY 111 N 1.49 0.98 0.34 2.72 0.00 -1.26 -4.86 105.19 104.60 1u7i n GLY 111 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1u7i n GLY 111 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u7i n PHE 112 N -2.00 0.00 -3.83 1.61 1.16 -1.26 -5.02 117.46 108.12 1u7i n PHE 112 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.51 1u7i n PHE 112 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 1u7i n PHE 112 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1u7i s SER 113 N -1.70 -0.09 0.12 5.98 1.04 -1.26 -4.82 113.70 112.97 1u7i s SER 113 Ca 0.12 -0.87 -0.16 0.00 0.48 0.00 0.00 55.95 55.52 1u7i s SER 113 Cb 0.12 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 1u7i s SER 113 CO 0.35 -1.45 1.62 -0.61 0.98 0.00 0.00 173.24 174.12 1u7i h GLN 114 N 2.00 0.63 -2.81 4.02 4.15 -1.43 -3.41 115.11 118.26 1u7i h GLN 114 Ca -0.27 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 58.88 1u7i h GLN 114 Cb 1.25 -0.08 -0.21 0.00 0.21 0.00 0.00 27.48 28.64 1u7i h GLN 114 CO 0.33 0.67 -0.21 1.03 -1.93 0.00 0.00 178.83 178.72 1u7i s ARG 115 N -5.26 0.65 -0.06 1.69 1.81 -1.13 -4.35 118.95 112.30 1u7i s ARG 115 Ca -0.13 0.12 -0.14 0.00 -1.72 0.00 0.00 55.73 53.86 1u7i s ARG 115 Cb 0.10 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.93 1u7i s ARG 115 CO 0.77 -0.16 0.33 0.12 -0.68 0.00 0.00 175.30 175.68 1u7i s PHE 116 N -0.79 -0.27 0.01 -0.53 5.36 0.34 -0.72 117.98 121.38 1u7i s PHE 116 Ca -0.09 0.56 -0.06 0.00 -0.96 0.00 0.00 56.93 56.38 1u7i s PHE 116 Cb -0.04 0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1u7i s PHE 116 CO 0.04 -0.30 0.10 0.00 -1.46 0.00 0.00 175.22 173.60 1u7i s ALA 117 N -0.67 -0.22 -0.22 11.12 0.00 -0.44 -1.74 121.76 129.59 1u7i s ALA 117 Ca -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1u7i s ALA 117 Cb -0.04 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1u7i s ALA 117 CO 0.03 -0.21 -0.09 -0.46 0.00 0.00 0.00 175.76 175.02 1u7i s TRP 118 N -1.55 2.61 0.08 0.00 -0.11 -1.26 -0.85 118.94 117.87 1u7i s TRP 118 Ca -0.14 -1.82 0.07 0.00 1.22 0.00 0.00 56.10 55.43 1u7i s TRP 118 Cb -0.07 -1.69 -0.04 0.00 -1.50 0.00 0.00 33.47 30.17 1u7i s TRP 118 CO 0.00 -0.79 -0.12 -0.51 -4.62 0.00 0.00 176.95 170.92 1u7i s LEU 119 N 1.33 2.95 -0.22 5.86 2.01 0.09 -1.04 118.68 129.65 1u7i s LEU 119 Ca -0.04 -0.39 -0.07 0.00 0.01 0.00 0.00 54.13 53.64 1u7i s LEU 119 Cb -0.18 -1.75 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 1u7i s LEU 119 CO -0.07 0.20 0.05 0.00 1.01 0.00 0.00 176.35 177.54 1u7i s ALA 120 N -1.14 3.16 1.10 4.21 0.00 0.11 -0.23 121.76 128.98 1u7i s ALA 120 Ca 0.19 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 1u7i s ALA 120 Cb -0.11 -1.96 0.25 0.00 0.00 0.00 0.00 23.12 21.30 1u7i s ALA 120 CO 0.11 -0.27 1.19 -0.40 0.00 0.00 0.00 175.76 176.39 1u7i n ASP 121 N 4.48 -0.82 0.08 0.00 5.68 -0.01 -0.33 116.55 125.64 1u7i n ASP 121 Ca -0.16 -1.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 1u7i n ASP 121 Cb 0.52 -0.98 0.42 0.00 -1.14 0.00 0.00 41.12 39.94 1u7i n ASP 121 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1u7i n ARG 122 N -4.14 0.12 0.00 0.11 1.85 -1.26 -1.01 116.66 112.33 1u7i n ARG 122 Ca 0.15 0.38 0.12 0.00 -1.00 0.00 0.00 57.85 57.51 1u7i n ARG 122 Cb 0.56 -1.74 0.21 0.00 -1.05 0.00 0.00 32.46 30.44 1u7i n ARG 122 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1u7i n PHE 123 N -1.97 0.00 -0.14 2.89 3.72 -1.26 -4.92 117.46 115.78 1u7i n PHE 123 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1u7i n PHE 123 Cb 0.19 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1u7i n PHE 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u7i n GLY 124 N 1.34 0.69 3.74 1.37 0.00 -0.18 -4.89 105.19 107.26 1u7i n GLY 124 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1u7i n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7i s VAL 125 N -2.39 4.06 0.06 1.61 1.01 -1.26 -4.58 120.40 118.91 1u7i s VAL 125 Ca 0.00 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 1u7i s VAL 125 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1u7i s VAL 125 CO 0.00 0.29 0.86 -0.44 0.00 0.00 0.00 175.10 175.82 1u7i s SER 126 N -0.10 7.33 -0.11 3.32 0.01 -1.26 -0.83 113.70 122.06 1u7i s SER 126 Ca 0.48 1.60 0.01 0.00 1.31 0.00 0.00 55.95 59.35 1u7i s SER 126 Cb -0.27 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1u7i s SER 126 CO 0.33 -0.05 -0.12 0.26 0.41 0.00 0.00 173.24 174.06 1u7i s TRP 127 N 0.13 1.80 -0.19 2.43 0.52 0.69 -1.39 118.94 122.92 1u7i s TRP 127 Ca 0.43 -0.88 -0.09 0.00 0.02 0.00 0.00 56.10 55.58 1u7i s TRP 127 Cb -0.22 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.71 1u7i s TRP 127 CO 0.26 -0.50 0.12 -0.65 0.02 0.00 0.00 176.95 176.20 1u7i s GLN 128 N 1.25 4.08 -0.14 4.98 -0.21 0.46 -0.73 119.66 129.34 1u7i s GLN 128 Ca -0.02 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1u7i s GLN 128 Cb -0.14 -3.37 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 1u7i s GLN 128 CO -0.05 0.35 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.79 1u7i s LEU 129 N 0.21 2.41 -0.05 2.90 1.43 -0.03 -0.51 118.68 125.04 1u7i s LEU 129 Ca 0.08 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1u7i s LEU 129 Cb -0.11 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1u7i s LEU 129 CO -0.01 0.11 -0.15 0.21 0.23 0.00 0.00 176.35 176.74 1u7i s ASN 130 N 0.69 1.95 -0.35 2.29 3.84 -0.25 -1.33 114.94 121.77 1u7i s ASN 130 Ca -0.08 -0.32 -0.03 0.00 0.21 0.00 0.00 52.86 52.64 1u7i s ASN 130 Cb -0.16 -0.66 0.07 0.00 -0.55 0.00 0.00 41.25 39.96 1u7i s ASN 130 CO 0.02 0.11 0.09 -0.22 -2.79 0.00 0.00 177.10 174.30 1u7i s LEU 131 N 0.25 4.46 0.50 3.21 2.96 0.10 -0.37 118.68 129.79 1u7i s LEU 131 Ca -0.07 -1.53 -0.22 0.00 -0.22 0.00 0.00 54.13 52.08 1u7i s LEU 131 Cb -0.13 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 1u7i s LEU 131 CO 0.03 -0.37 1.27 0.00 -1.32 0.00 0.00 176.35 175.95 1u7i s ALA 132 N 1.23 2.91 -2.65 5.97 0.00 -1.26 -1.29 121.76 126.67 1u7i s ALA 132 Ca 0.00 1.15 0.27 0.00 0.00 0.00 0.00 51.96 53.38 1u7i s ALA 132 Cb -0.21 -3.48 0.79 0.00 0.00 0.00 0.00 23.12 20.22 1u7i s ALA 132 CO -0.02 -1.03 1.60 0.41 0.00 0.00 0.00 175.76 176.73