#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7i n ALA 3 N 0.00 1.17 -2.91 -0.43 0.00 -1.26 -4.99 120.51 112.09 1u7i n ALA 3 Ca 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1u7i n ALA 3 Cb 0.00 -2.23 -0.16 0.00 0.00 0.00 0.00 19.45 17.06 1u7i n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1u7i s ARG 4 N -1.87 2.90 -0.14 0.00 3.52 -1.26 -5.11 118.95 116.99 1u7i s ARG 4 Ca 0.56 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1u7i s ARG 4 Cb -0.58 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 1u7i s ARG 4 CO 0.62 0.32 -0.14 0.08 -0.81 0.00 0.00 175.30 175.36 1u7i s VAL 5 N 0.02 2.83 0.03 7.11 1.01 -1.26 -5.12 120.40 125.03 1u7i s VAL 5 Ca -0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1u7i s VAL 5 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1u7i s VAL 5 CO 0.05 0.52 0.02 -0.13 0.00 0.00 0.00 175.10 175.56 1u7i s ARG 6 N 0.57 0.48 0.68 2.72 1.81 -1.26 -5.11 118.95 118.83 1u7i s ARG 6 Ca -0.09 -0.78 -0.15 0.00 -1.72 0.00 0.00 55.73 53.00 1u7i s ARG 6 Cb -0.16 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.53 1u7i s ARG 6 CO 0.03 -0.10 1.12 -1.25 -0.68 0.00 0.00 175.30 174.42 1u7i s PRO 7 N -2.37 2.69 -0.09 3.54 0.04 -1.26 -4.88 135.00 132.68 1u7i s PRO 7 Ca -0.07 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 1u7i s PRO 7 Cb -0.03 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.62 1u7i s PRO 7 CO -0.04 -1.34 0.19 0.12 0.04 0.00 0.00 177.00 175.97 1u7i s PHE 8 N -2.36 -0.24 0.00 0.56 5.99 -1.26 -1.39 117.98 119.28 1u7i s PHE 8 Ca 0.67 0.63 0.00 0.00 0.00 0.00 0.00 56.93 58.24 1u7i s PHE 8 Cb -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 43.02 42.76 1u7i s PHE 8 CO 0.43 -0.21 0.00 1.28 -0.00 0.00 0.00 175.22 176.72 1u7i n LEU 9 N 4.38 0.00 -3.64 6.12 4.77 -0.21 -4.98 117.00 123.44 1u7i n LEU 9 Ca -0.23 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 1u7i n LEU 9 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1u7i n LEU 9 CO 0.14 -0.24 0.82 -0.36 -1.33 0.00 0.00 177.39 176.42 1u7i s PHE 11 N 0.25 -0.40 -0.13 -1.77 0.08 -0.58 -2.13 117.98 113.30 1u7i s PHE 11 Ca 0.00 0.95 -0.10 0.00 0.12 0.00 0.00 56.93 57.91 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 -0.20 0.20 -0.65 -0.10 0.00 0.00 175.22 174.47 1u7i s GLN 12 N 0.12 3.78 3.75 0.44 -0.21 -1.26 -0.19 119.66 126.08 1u7i s GLN 12 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1u7i s GLN 12 Cb -0.05 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.69 1u7i s GLN 12 CO -0.07 0.59 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 1u7i n GLY 13 N 2.48 0.15 2.99 3.09 0.00 0.04 -4.63 105.19 109.31 1u7i n GLY 13 Ca -0.17 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 2.35 0.00 1.61 1.01 -1.26 -3.74 120.40 120.37 1u7i s VAL 14 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.34 1u7i s VAL 14 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1u7i s VAL 14 CO 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 174.43 1u7i n GLN 15 N 3.89 3.31 -0.17 2.72 6.02 -1.26 -4.94 117.38 126.95 1u7i n GLN 15 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1u7i n GLN 15 Cb 0.39 -0.28 0.01 0.00 1.02 0.00 0.00 30.24 31.38 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 0.64 -0.47 -1.58 0.00 -1.88 0.61 119.26 116.57 1u7i h ALA 16 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1u7i h ALA 16 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u7i h ALA 16 CO 0.00 0.26 -0.04 1.49 0.00 0.00 0.00 179.25 180.97 1u7i h GLU 17 N 0.66 0.86 -0.70 0.00 4.81 -1.96 -2.65 114.58 115.60 1u7i h GLU 17 Ca 0.16 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1u7i h GLU 17 Cb 0.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1u7i h GLU 17 CO -0.01 0.92 0.44 0.00 -0.73 0.00 0.00 179.01 179.63 1u7i h ALA 18 N 0.91 0.91 0.00 2.92 0.00 -1.85 -0.77 119.26 121.38 1u7i h ALA 18 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u7i h ALA 18 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u7i h ALA 18 CO 0.03 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1u7i n ALA 19 N -2.31 1.72 0.00 0.00 0.00 0.18 -0.96 120.51 119.13 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 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.63 0.00 0.05 0.00 3.02 -0.29 -0.51 115.26 118.15 1u7i n ASN 21 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1u7i n ASN 21 Cb 0.14 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.23 1u7i n ASN 21 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1u7i h PHE 22 N 0.00 -0.05 -0.82 3.10 3.57 -1.29 -1.58 116.94 119.86 1u7i h PHE 22 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1u7i h PHE 22 Cb 0.00 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1u7i h PHE 22 CO 0.00 0.08 0.41 1.88 -2.23 0.00 0.00 178.31 178.45 1u7i h TYR 23 N -0.18 1.16 -0.00 0.41 0.05 -1.06 -1.28 116.97 116.07 1u7i h TYR 23 Ca -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1u7i h TYR 23 Cb 0.16 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 1u7i h TYR 23 CO -0.03 0.83 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.76 1u7i h LEU 24 N 1.16 0.00 -0.17 3.88 4.07 -1.77 -1.64 115.31 120.84 1u7i h LEU 24 Ca 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1u7i h LEU 24 Cb 0.09 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1u7i h LEU 24 CO -0.04 0.08 0.00 -1.54 -1.08 0.00 0.00 178.44 175.86 1u7i n SER 25 N -4.45 0.29 0.02 -0.43 3.41 -0.50 -3.35 113.62 108.61 1u7i n SER 25 Ca -0.03 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.17 1u7i n SER 25 Cb 0.15 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.80 0.51 -3.81 1.04 4.77 -0.63 -4.89 117.00 112.19 1u7i n LEU 26 Ca 0.04 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 1u7i n LEU 26 Cb 0.27 0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1u7i n LEU 26 CO 0.21 0.09 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.60 1u7i s PHE 27 N -3.11 0.87 0.18 -1.77 0.08 -1.17 -5.02 117.98 108.05 1u7i s PHE 27 Ca -0.05 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 1u7i s PHE 27 Cb 0.10 -0.89 0.07 0.00 -0.57 0.00 0.00 43.02 41.73 1u7i s PHE 27 CO 0.83 -0.36 1.63 -0.44 -0.10 0.00 0.00 175.22 176.78 1u7i h ASP 28 N 8.19 1.03 -1.29 1.36 3.32 -1.91 -3.34 116.42 123.80 1u7i h ASP 28 Ca -0.23 -0.32 -0.68 0.00 0.02 0.00 0.00 57.03 55.82 1u7i h ASP 28 Cb 1.13 -0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.29 1u7i h ASP 28 CO 0.31 1.11 1.79 -0.62 -1.72 0.00 0.00 179.24 180.11 1u7i s ASP 29 N -6.62 6.80 -0.11 6.45 2.15 -1.26 -4.85 116.67 119.23 1u7i s ASP 29 Ca -0.11 -2.32 -0.30 0.00 0.43 0.00 0.00 52.55 50.25 1u7i s ASP 29 Cb 0.13 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.31 1u7i s ASP 29 CO 0.86 -1.15 0.76 0.00 -0.17 0.00 0.00 175.17 175.47 1u7i s ALA 30 N 3.75 -1.81 0.10 3.66 0.00 -1.25 -0.21 121.76 126.00 1u7i s ALA 30 Ca 0.49 1.49 -0.26 0.00 0.00 0.00 0.00 51.96 53.68 1u7i s ALA 30 Cb 0.01 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.85 1u7i s ALA 30 CO 0.01 -0.35 0.81 -1.83 0.00 0.00 0.00 175.76 174.41 1u7i s GLU 31 N -0.90 1.12 -0.25 0.00 -1.05 -0.92 -5.00 118.70 111.69 1u7i s GLU 31 Ca -0.07 -0.49 -0.26 0.00 -0.15 0.00 0.00 54.97 53.99 1u7i s GLU 31 Cb -0.01 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1u7i s GLU 31 CO 0.06 -0.50 0.91 0.42 0.95 0.00 0.00 175.26 177.10 1u7i s ILE 32 N -3.40 4.76 -0.04 1.83 1.01 -1.26 -0.87 121.20 123.22 1u7i s ILE 32 Ca 0.06 1.68 0.03 0.00 0.00 0.00 0.00 60.65 62.42 1u7i s ILE 32 Cb -0.02 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 1u7i s ILE 32 CO -0.06 -0.15 0.67 -0.07 0.00 0.00 0.00 174.94 175.33 1u7i h LEU 33 N 9.35 0.21 -7.31 2.97 3.38 -1.17 -3.48 115.31 119.26 1u7i h LEU 33 Ca -0.22 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.23 1u7i h LEU 33 Cb 1.08 -0.07 -0.25 0.00 0.09 0.00 0.00 40.66 41.51 1u7i h LEU 33 CO 0.92 1.35 -0.27 -1.10 0.09 0.00 0.00 178.44 179.43 1u7i s GLN 34 N -2.60 0.44 -0.11 1.13 -0.21 -0.72 -4.95 119.66 112.65 1u7i s GLN 34 Ca -0.10 0.60 -0.06 0.00 0.02 0.00 0.00 55.36 55.81 1u7i s GLN 34 Cb 0.07 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.29 1u7i s GLN 34 CO 0.82 -0.08 0.26 -1.50 -2.12 0.00 0.00 175.29 172.67 1u7i s ILE 35 N 0.47 -0.03 -0.05 1.08 2.07 -1.26 -1.04 121.20 122.44 1u7i s ILE 35 Ca -0.02 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1u7i s ILE 35 Cb -0.04 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.17 1u7i s ILE 35 CO -0.02 0.04 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.38 1u7i s GLN 36 N 0.97 1.24 0.10 3.50 0.74 0.02 -5.00 119.66 121.24 1u7i s GLN 36 Ca -0.07 -0.29 0.05 0.00 0.05 0.00 0.00 55.36 55.10 1u7i s GLN 36 Cb -0.08 -1.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 1u7i s GLN 36 CO -0.06 0.02 0.00 1.03 -0.55 0.00 0.00 175.29 175.72 1u7i s ARG 37 N 0.62 2.53 0.45 1.67 0.52 -1.26 -0.83 118.95 122.65 1u7i s ARG 37 Ca -0.11 -0.88 -0.24 0.00 -0.52 0.00 0.00 55.73 53.98 1u7i s ARG 37 Cb -0.14 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 1u7i s ARG 37 CO 0.02 0.53 1.27 0.71 0.02 0.00 0.00 175.30 177.84 1u7i s TYR 38 N -1.38 2.74 0.00 -0.53 2.02 -0.36 -4.72 117.35 115.12 1u7i s TYR 38 Ca 0.26 1.45 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 1u7i s TYR 38 Cb -0.11 -3.59 0.00 0.00 -0.40 0.00 0.00 41.96 37.85 1u7i s TYR 38 CO 0.18 -2.04 0.00 0.41 -1.57 0.00 0.00 175.55 172.53 1u7i n GLY 39 N 0.61 0.94 0.07 0.71 0.00 -1.26 -0.96 105.19 105.30 1u7i n GLY 39 Ca 0.06 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 1.90 1.25 4.61 0.00 -1.26 -3.31 120.51 120.70 1u7i n ALA 40 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1u7i n ALA 40 Cb 0.00 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.51 1u7i n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u7i n GLU 41 N -1.96 0.65 0.00 0.00 1.02 -1.26 -4.95 120.64 114.14 1u7i n GLU 41 Ca 0.04 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1u7i n GLU 41 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1u7i n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u7i n GLY 42 N 1.35 -1.49 0.16 0.62 0.00 -1.21 -4.91 105.19 99.70 1u7i n GLY 42 Ca 0.12 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -7.34 1.61 0.13 -1.96 -3.44 132.00 121.00 1u7i h PRO 43 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1u7i h PRO 43 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1u7i h PRO 43 CO 0.00 0.00 0.35 0.20 -0.23 0.00 0.00 178.00 178.32 1u7i s GLY 44 N -3.79 1.62 0.38 1.56 0.00 -1.26 -4.94 107.32 100.89 1u7i s GLY 44 Ca 0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.17 1u7i s GLY 44 CO 0.55 -0.03 1.39 -1.05 0.00 0.00 0.00 173.10 173.96 1u7i n PRO 45 N -2.80 2.35 -1.68 2.90 -0.02 -1.26 -4.82 135.00 129.66 1u7i n PRO 45 Ca 0.06 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.91 1u7i n PRO 45 Cb 0.56 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1u7i n PRO 45 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1u7i n GLU 46 N 0.37 2.28 0.00 -0.52 2.13 -1.25 -1.34 120.64 122.31 1u7i n GLU 46 Ca 0.03 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1u7i n GLU 46 Cb 0.38 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 3.56 2.77 3.70 8.31 0.00 -0.14 -4.98 105.19 118.42 1u7i n GLY 47 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.38 3.17 -0.43 1.61 1.04 -0.45 -4.72 113.70 112.55 1u7i s SER 48 Ca 0.00 1.40 -0.24 0.00 0.48 0.00 0.00 55.95 57.58 1u7i s SER 48 Cb 0.00 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 64.07 1u7i s SER 48 CO 0.00 -2.82 0.84 -0.69 0.98 0.00 0.00 173.24 171.56 1u7i s VAL 49 N -2.94 4.60 0.02 5.02 1.01 -1.26 -1.23 120.40 125.63 1u7i s VAL 49 Ca 0.64 0.69 -0.23 0.00 0.00 0.00 0.00 61.98 63.08 1u7i s VAL 49 Cb -0.18 -4.34 -0.16 0.00 0.00 0.00 0.00 36.38 31.70 1u7i s VAL 49 CO 0.57 -0.69 1.37 0.25 0.00 0.00 0.00 175.10 176.61 1u7i h LEU 50 N 10.20 0.16 -7.00 3.92 6.46 -1.27 -1.38 115.31 126.40 1u7i h LEU 50 Ca -0.24 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 57.10 1u7i h LEU 50 Cb 1.08 -0.04 -0.23 0.00 -0.73 0.00 0.00 40.66 40.74 1u7i h LEU 50 CO 0.97 0.53 0.25 -0.75 -0.62 0.00 0.00 178.44 178.83 1u7i s LYS 51 N -4.58 0.72 0.11 1.25 2.47 -1.01 -4.66 119.74 114.04 1u7i s LYS 51 Ca -0.15 0.84 -0.08 0.00 -1.56 0.00 0.00 55.97 55.02 1u7i s LYS 51 Cb 0.04 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.76 1u7i s LYS 51 CO 0.70 -0.09 0.21 0.00 0.16 0.00 0.00 175.35 176.34 1u7i s ALA 52 N 0.29 -0.11 -0.03 3.13 0.00 -0.35 -0.80 121.76 123.89 1u7i s ALA 52 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1u7i s ALA 52 Cb -0.05 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1u7i s ALA 52 CO -0.01 -0.55 0.01 -1.17 0.00 0.00 0.00 175.76 174.03 1u7i s LEU 53 N -2.90 1.09 0.21 0.00 2.96 -0.21 -1.37 118.68 118.46 1u7i s LEU 53 Ca 0.09 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1u7i s LEU 53 Cb 0.04 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.50 1u7i s LEU 53 CO -0.07 -0.12 -0.04 0.72 -1.32 0.00 0.00 176.35 175.53 1u7i s PHE 54 N 1.10 1.50 0.04 5.38 -0.12 -0.38 -0.57 117.98 124.93 1u7i s PHE 54 Ca -0.09 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 55.99 1u7i s PHE 54 Cb -0.13 -0.84 -0.02 0.00 -0.63 0.00 0.00 43.02 41.40 1u7i s PHE 54 CO -0.02 0.02 -0.15 -0.98 -0.05 0.00 0.00 175.22 174.04 1u7i s ARG 55 N -3.82 0.99 -0.30 1.99 1.70 -0.05 -0.28 118.95 119.18 1u7i s ARG 55 Ca 0.25 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 1u7i s ARG 55 Cb 0.04 -1.01 0.07 0.00 -0.57 0.00 0.00 34.95 33.49 1u7i s ARG 55 CO 0.07 0.25 -0.03 -0.51 -1.08 0.00 0.00 175.30 174.00 1u7i s LEU 56 N -1.10 3.98 0.00 -1.89 1.43 -0.02 -2.17 118.68 118.91 1u7i s LEU 56 Ca 0.02 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1u7i s LEU 56 Cb -0.08 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1u7i s LEU 56 CO 0.01 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1u7i n GLY 57 N 4.42 3.58 0.77 -3.19 0.00 0.71 -1.87 105.19 109.61 1u7i n GLY 57 Ca -0.08 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 5.01 2.23 -4.27 1.61 5.75 -1.26 -4.81 116.55 120.80 1u7i n ASP 58 Ca 0.00 -2.07 -0.36 0.00 -0.01 0.00 0.00 54.79 52.34 1u7i n ASP 58 Cb 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 41.12 39.65 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 -1.56 2.88 0.25 0.11 2.00 -0.78 -5.09 119.66 117.46 1u7i s GLN 59 Ca 0.26 -0.98 -0.08 0.00 -2.00 0.00 0.00 55.36 52.55 1u7i s GLN 59 Cb 0.14 -3.25 -0.06 0.00 0.80 0.00 0.00 33.01 30.64 1u7i s GLN 59 CO 0.16 -0.48 0.55 -1.54 -0.50 0.00 0.00 175.29 173.47 1u7i s SER 60 N 1.41 6.56 -0.10 6.67 1.04 -1.26 -0.84 113.70 127.18 1u7i s SER 60 Ca 0.00 0.85 -0.05 0.00 0.48 0.00 0.00 55.95 57.23 1u7i s SER 60 Cb -0.18 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 63.79 1u7i s SER 60 CO 0.00 -0.11 0.22 -0.69 0.98 0.00 0.00 173.24 173.64 1u7i s VAL 61 N -1.91 -0.05 0.40 5.02 1.01 0.61 -4.38 120.40 121.10 1u7i s VAL 61 Ca 0.46 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 1u7i s VAL 61 Cb -0.11 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1u7i s VAL 61 CO 0.24 0.07 0.79 -1.00 0.00 0.00 0.00 175.10 175.20 1u7i s HIS 62 N 1.27 3.44 0.16 5.22 3.76 -0.49 -1.25 115.29 127.41 1u7i s HIS 62 Ca -0.09 1.15 -0.17 0.00 -0.15 0.00 0.00 55.06 55.80 1u7i s HIS 62 Cb -0.11 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.10 1u7i s HIS 62 CO -0.08 -0.08 0.47 0.00 -0.85 0.00 0.00 174.74 174.20 1u7i s ILE 64 N -3.84 0.17 -0.12 0.00 -4.36 -0.91 -1.21 121.20 110.93 1u7i s ILE 64 Ca 0.07 -1.43 -0.15 0.00 -0.26 0.00 0.00 60.65 58.88 1u7i s ILE 64 Cb 0.00 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1u7i s ILE 64 CO -0.07 -0.78 0.35 -1.81 0.24 0.00 0.00 174.94 172.87 1u7i s ASP 65 N -2.89 6.56 -0.21 4.36 1.01 -0.52 -1.53 116.67 123.46 1u7i s ASP 65 Ca 0.06 0.67 -0.03 0.00 0.71 0.00 0.00 52.55 53.96 1u7i s ASP 65 Cb 0.06 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1u7i s ASP 65 CO -0.10 0.14 -0.07 -0.55 0.21 0.00 0.00 175.17 174.80 1u7i s SER 66 N 0.11 4.16 0.50 0.27 0.15 0.73 -4.77 113.70 114.85 1u7i s SER 66 Ca 0.20 -0.40 0.30 0.00 0.70 0.00 0.00 55.95 56.75 1u7i s SER 66 Cb -0.14 -1.70 1.09 0.00 -1.71 0.00 0.00 66.02 63.56 1u7i s SER 66 CO 0.07 0.01 1.88 1.12 1.20 0.00 0.00 173.24 177.51 1u7i h HIS 67 N 7.91 0.00 -3.34 3.44 2.07 -1.87 0.14 115.15 123.51 1u7i h HIS 67 Ca -0.40 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.54 1u7i h HIS 67 Cb 1.16 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.07 1u7i h HIS 67 CO 0.56 0.00 0.29 0.08 -3.07 0.00 0.00 177.93 175.80 1u7i s VAL 68 N -3.53 4.93 0.23 6.12 1.01 -1.26 -4.78 120.40 123.13 1u7i s VAL 68 Ca 0.03 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 1u7i s VAL 68 Cb 0.08 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1u7i s VAL 68 CO 0.56 0.07 0.49 -0.13 0.00 0.00 0.00 175.10 176.10 1u7i s ARG 69 N 1.91 3.65 0.22 2.72 3.00 -1.26 -4.77 118.95 124.42 1u7i s ARG 69 Ca 0.36 -0.00 0.02 0.00 0.00 0.00 0.00 55.73 56.11 1u7i s ARG 69 Cb -0.17 -2.72 -0.05 0.00 0.00 0.00 0.00 34.95 32.02 1u7i s ARG 69 CO 0.13 0.32 0.02 -1.01 0.00 0.00 0.00 175.30 174.76 1u7i s HIS 70 N -1.90 1.45 0.12 -0.53 3.76 -1.26 -5.05 115.29 111.88 1u7i s HIS 70 Ca 0.43 -1.02 0.22 0.00 -0.15 0.00 0.00 55.06 54.55 1u7i s HIS 70 Cb -0.11 -0.84 0.82 0.00 1.11 0.00 0.00 32.58 33.55 1u7i s HIS 70 CO 0.27 -0.17 1.78 0.00 -0.85 0.00 0.00 174.74 175.77 1u7i h ALA 71 N 2.51 1.00 -2.21 -1.40 0.00 -2.08 -3.45 119.26 113.63 1u7i h ALA 71 Ca -0.38 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 53.82 1u7i h ALA 71 Cb 1.22 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 19.03 1u7i h ALA 71 CO 0.63 0.34 0.13 -0.59 0.00 0.00 0.00 179.25 179.75 1u7i s PHE 72 N -3.61 3.14 0.22 0.00 -0.12 -1.26 -5.10 117.98 111.26 1u7i s PHE 72 Ca 0.01 0.48 0.02 0.00 -0.05 0.00 0.00 56.93 57.38 1u7i s PHE 72 Cb 0.10 -2.77 -0.01 0.00 -0.63 0.00 0.00 43.02 39.72 1u7i s PHE 72 CO 0.65 -0.88 0.26 -3.47 -0.05 0.00 0.00 175.22 171.73 1u7i n ASP 73 N -2.55 -0.69 -4.69 1.98 2.03 -1.26 -5.11 116.55 106.26 1u7i n ASP 73 Ca 0.05 -2.32 -0.41 0.00 0.52 0.00 0.00 54.79 52.64 1u7i n ASP 73 Cb 0.58 1.39 0.02 0.00 -0.72 0.00 0.00 41.12 42.40 1u7i n ASP 73 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1u7i n PHE 74 N -0.39 1.94 -4.31 -0.67 3.72 -1.26 -5.03 117.46 111.46 1u7i n PHE 74 Ca 0.03 0.50 -0.16 0.00 -0.05 0.00 0.00 57.45 57.76 1u7i n PHE 74 Cb 0.39 -2.34 -0.10 0.00 -0.94 0.00 0.00 39.48 36.48 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 -1.24 0.69 -1.45 4.37 -4.23 -1.26 -4.94 115.64 107.58 1u7i s THR 75 Ca 0.63 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.27 1u7i s THR 75 Cb -0.50 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.08 1u7i s THR 75 CO 0.56 -0.16 1.30 -2.65 -0.54 0.00 0.00 174.62 173.13 1u7i n PRO 76 N -0.42 0.19 0.10 3.99 -0.02 -1.26 -3.42 135.00 134.15 1u7i n PRO 76 Ca -0.02 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1u7i n PRO 76 Cb 0.65 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.59 1.43 -3.24 3.55 0.00 -2.00 -3.40 119.26 118.19 1u7i h ALA 77 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 1u7i h ALA 77 Cb 0.11 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.43 1u7i h ALA 77 CO 0.00 0.40 -0.80 0.12 0.00 0.00 0.00 179.25 178.97 1u7i s PHE 78 N -4.67 1.58 0.22 0.00 2.19 -1.22 -5.12 117.98 110.96 1u7i s PHE 78 Ca -0.06 -0.89 0.00 0.00 0.33 0.00 0.00 56.93 56.32 1u7i s PHE 78 Cb 0.15 -1.27 -0.04 0.00 -1.31 0.00 0.00 43.02 40.55 1u7i s PHE 78 CO 0.74 -0.56 0.16 -1.54 1.83 0.00 0.00 175.22 175.85 1u7i s SER 79 N 1.68 0.36 0.01 6.13 1.04 -1.26 -4.65 113.70 117.01 1u7i s SER 79 Ca 0.03 -1.44 -0.09 0.00 0.48 0.00 0.00 55.95 54.94 1u7i s SER 79 Cb -0.14 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1u7i s SER 79 CO -0.08 -0.88 0.31 -0.36 0.98 0.00 0.00 173.24 173.21 1u7i s PHE 80 N -4.06 3.61 -0.13 5.02 0.08 -0.58 -5.01 117.98 116.92 1u7i s PHE 80 Ca 0.39 0.70 0.02 0.00 0.12 0.00 0.00 56.93 58.16 1u7i s PHE 80 Cb 0.06 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1u7i s PHE 80 CO 0.14 0.61 -0.21 0.12 -0.10 0.00 0.00 175.22 175.79 1u7i s PHE 81 N -1.25 2.55 -0.23 0.36 5.36 -1.26 -0.26 117.98 123.25 1u7i s PHE 81 Ca 0.27 -1.28 -0.03 0.00 -0.96 0.00 0.00 56.93 54.92 1u7i s PHE 81 Cb -0.14 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1u7i s PHE 81 CO 0.14 -0.59 -0.05 0.08 -1.46 0.00 0.00 175.22 173.34 1u7i s VAL 82 N 0.85 3.24 -0.69 3.12 1.01 0.60 -4.97 120.40 123.57 1u7i s VAL 82 Ca -0.07 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1u7i s VAL 82 Cb -0.15 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1u7i s VAL 82 CO -0.02 0.38 1.15 -1.81 0.00 0.00 0.00 175.10 174.80 1u7i s ASP 83 N 1.44 6.20 0.52 3.32 1.01 -1.26 -1.03 116.67 126.87 1u7i s ASP 83 Ca 0.05 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.58 1u7i s ASP 83 Cb -0.15 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 1u7i s ASP 83 CO -0.04 -1.65 0.99 0.00 0.21 0.00 0.00 175.17 174.68 1u7i n GLU 85 N -1.60 0.66 -3.74 0.00 1.02 -1.26 -4.51 120.64 111.21 1u7i n GLU 85 Ca 0.07 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 1u7i n GLU 85 Cb 0.54 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1u7i n GLU 85 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1u7i s SER 86 N -5.10 -0.20 0.23 1.62 1.04 -1.26 -5.04 113.70 105.00 1u7i s SER 86 Ca -0.07 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1u7i s SER 86 Cb 0.10 0.51 0.21 0.00 0.10 0.00 0.00 66.02 66.95 1u7i s SER 86 CO 0.86 -0.95 1.90 -1.13 0.98 0.00 0.00 173.24 174.90 1u7i h ASN 87 N 2.32 1.00 -0.79 7.02 -0.73 -1.99 -1.56 115.58 120.85 1u7i h ASN 87 Ca -0.31 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 57.80 1u7i h ASN 87 Cb 1.25 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 1u7i h ASN 87 CO 0.43 0.72 0.38 0.00 -0.37 0.00 0.00 177.43 178.59 1u7i h ALA 88 N 1.33 1.16 -0.05 1.57 0.00 -1.99 -1.09 119.26 120.19 1u7i h ALA 88 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1u7i h ALA 88 Cb -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1u7i h ALA 88 CO -0.07 0.63 -0.00 0.37 0.00 0.00 0.00 179.25 180.18 1u7i h GLN 89 N 1.14 0.09 -0.55 0.00 4.15 -1.89 -1.76 115.11 116.29 1u7i h GLN 89 Ca 0.28 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 1u7i h GLN 89 Cb 0.11 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1u7i h GLN 89 CO -0.03 0.39 0.15 0.97 -1.93 0.00 0.00 178.83 178.37 1u7i h ILE 90 N -0.22 1.22 -0.58 2.39 2.10 -1.12 -0.08 117.51 121.23 1u7i h ILE 90 Ca 0.01 -0.79 -0.05 0.00 1.08 0.00 0.00 64.86 65.12 1u7i h ILE 90 Cb 0.35 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 36.70 1u7i h ILE 90 CO 0.00 0.30 0.18 -0.33 -1.08 0.00 0.00 178.15 177.22 1u7i h GLU 91 N 0.81 0.89 -0.19 2.19 5.08 -1.16 0.14 114.58 122.35 1u7i h GLU 91 Ca 0.18 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1u7i h GLU 91 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1u7i h GLU 91 CO -0.00 0.80 0.02 -0.09 -1.00 0.00 0.00 179.01 178.73 1u7i h ARG 92 N 0.81 0.32 -0.60 2.33 2.43 -0.82 -1.98 114.38 116.87 1u7i h ARG 92 Ca 0.19 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1u7i h ARG 92 Cb 0.28 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1u7i h ARG 92 CO -0.01 0.50 0.19 -0.07 -1.51 0.00 0.00 179.97 179.08 1u7i h LEU 93 N 0.09 0.87 -0.61 3.80 3.38 -0.97 -0.81 115.31 121.06 1u7i h LEU 93 Ca 0.05 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1u7i h LEU 93 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1u7i h LEU 93 CO 0.01 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.44 1u7i h ALA 94 N 1.06 0.81 -0.21 1.53 0.00 -0.88 0.24 119.26 121.81 1u7i h ALA 94 Ca 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1u7i h ALA 94 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u7i h ALA 94 CO -0.01 0.59 0.04 1.49 0.00 0.00 0.00 179.25 181.37 1u7i h GLU 95 N 0.93 0.34 -0.32 0.00 4.81 -1.19 -1.80 114.58 117.35 1u7i h GLU 95 Ca 0.18 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1u7i h GLU 95 Cb 0.47 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1u7i h GLU 95 CO 0.02 0.48 0.09 0.00 -0.73 0.00 0.00 179.01 178.87 1u7i h ALA 96 N 0.85 0.42 -0.28 2.92 0.00 -0.93 -2.47 119.26 119.78 1u7i h ALA 96 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1u7i h ALA 96 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u7i h ALA 96 CO 0.00 0.07 -0.39 -0.07 0.00 0.00 0.00 179.25 178.86 1u7i h LEU 97 N 0.36 0.70 -0.01 0.00 3.38 -0.98 -2.86 115.31 115.89 1u7i h LEU 97 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1u7i h LEU 97 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1u7i h LEU 97 CO -0.00 1.01 0.00 -1.54 0.09 0.00 0.00 178.44 178.00 1u7i n SER 98 N -4.04 0.16 -4.61 -0.43 3.41 -0.68 -4.05 113.62 103.39 1u7i n SER 98 Ca -0.02 0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 1u7i n SER 98 Cb 0.52 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -3.31 6.00 0.00 4.04 2.15 -0.93 -0.86 116.67 123.76 1u7i s ASP 99 Ca 0.13 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.55 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 0.53 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1u7i n GLY 100 N 5.25 0.68 0.00 2.66 0.00 -1.26 -4.39 105.19 108.12 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 -2.19 5.10 2.95 -0.02 0.00 -0.04 -4.15 105.19 106.83 1u7i n GLY 101 Ca 0.00 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 2.00 0.58 -0.78 1.61 1.02 0.51 -4.96 119.74 119.72 1u7i s LYS 102 Ca 0.00 -0.18 -0.19 0.00 0.02 0.00 0.00 55.97 55.62 1u7i s LYS 102 Cb 0.00 -0.58 0.12 0.00 -0.52 0.00 0.00 37.83 36.84 1u7i s LYS 102 CO 0.00 0.07 0.97 0.00 -0.92 0.00 0.00 175.35 175.46 1u7i s ALA 103 N 0.19 3.38 -1.96 5.17 0.00 -1.26 -0.41 121.76 126.86 1u7i s ALA 103 Ca -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1u7i s ALA 103 Cb -0.06 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1u7i s ALA 103 CO -0.00 -2.74 0.33 1.28 0.00 0.00 0.00 175.76 174.63 1u7i n LEU 104 N 6.57 0.01 -4.07 0.00 4.77 0.20 -4.99 117.00 119.50 1u7i n LEU 104 Ca 0.09 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1u7i n LEU 104 Cb 0.47 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1u7i n LEU 104 CO 0.54 0.00 -0.40 -2.84 -1.33 0.00 0.00 177.39 173.36 1u7i s PRO 106 N -1.96 0.54 0.17 3.23 0.02 -1.26 -4.96 135.00 130.77 1u7i s PRO 106 Ca 0.00 -0.77 -0.33 0.00 0.02 0.00 0.00 61.00 59.91 1u7i s PRO 106 Cb 0.00 -0.30 -0.14 0.00 0.02 0.00 0.00 34.50 34.08 1u7i s PRO 106 CO 0.00 0.05 1.46 -0.11 -0.33 0.00 0.00 177.00 178.07 1u7i n LEU 107 N 1.43 2.75 0.00 -5.54 7.94 -1.26 -4.71 117.00 117.62 1u7i n LEU 107 Ca -0.23 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1u7i n LEU 107 Cb 0.55 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1u7i n LEU 107 CO 0.21 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 1u7i n GLY 108 N 2.80 -1.25 3.38 -3.96 0.00 -0.77 -4.99 105.19 100.41 1u7i n GLY 108 Ca 0.15 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.70 5.99 -0.01 1.61 -1.08 -1.26 -0.72 116.67 118.51 1u7i s ASP 109 Ca 0.00 -1.21 0.19 0.00 -0.52 0.00 0.00 52.55 51.01 1u7i s ASP 109 Cb 0.00 -2.12 0.55 0.00 -1.46 0.00 0.00 42.92 39.89 1u7i s ASP 109 CO 0.00 -0.54 1.46 -1.22 0.52 0.00 0.00 175.17 175.38 1u7i n TYR 110 N 5.11 0.86 -0.01 -5.34 4.01 -1.26 -4.95 117.16 115.58 1u7i n TYR 110 Ca -0.12 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1u7i n TYR 110 Cb 0.45 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 1.45 0.66 0.22 2.72 0.00 -1.26 -4.86 105.19 104.12 1u7i n GLY 111 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.85 1.61 1.16 -1.26 -5.03 117.46 108.10 1u7i n PHE 112 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.50 1u7i n PHE 112 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -1.33 -0.04 0.12 5.98 1.04 -1.26 -4.93 113.70 113.27 1u7i s SER 113 Ca 0.08 -0.97 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 1u7i s SER 113 Cb 0.08 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 1u7i s SER 113 CO 0.25 -1.53 1.68 1.56 0.98 0.00 0.00 173.24 176.17 1u7i h GLN 114 N 2.02 0.52 -3.15 4.02 4.20 -1.58 -3.41 115.11 117.73 1u7i h GLN 114 Ca -0.27 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.21 1u7i h GLN 114 Cb 1.25 -0.09 -0.22 0.00 0.30 0.00 0.00 27.48 28.72 1u7i h GLN 114 CO 0.34 0.50 -0.37 1.03 -0.67 0.00 0.00 178.83 179.66 1u7i s ARG 115 N -5.59 0.49 -0.04 1.46 1.81 -1.13 -4.32 118.95 111.63 1u7i s ARG 115 Ca -0.13 0.01 -0.15 0.00 -1.72 0.00 0.00 55.73 53.73 1u7i s ARG 115 Cb 0.09 0.22 0.03 0.00 -0.45 0.00 0.00 34.95 34.84 1u7i s ARG 115 CO 0.74 -0.11 0.33 0.12 -0.68 0.00 0.00 175.30 175.70 1u7i s PHE 116 N -0.72 -0.24 -0.00 -0.53 5.36 0.11 -0.70 117.98 121.25 1u7i s PHE 116 Ca -0.08 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.26 1u7i s PHE 116 Cb -0.04 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1u7i s PHE 116 CO 0.02 -0.36 0.14 0.00 -1.46 0.00 0.00 175.22 173.57 1u7i s ALA 117 N -1.01 -0.34 -0.22 11.12 0.00 -0.49 -1.84 121.76 128.98 1u7i s ALA 117 Ca -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1u7i s ALA 117 Cb -0.04 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.22 1u7i s ALA 117 CO 0.04 -0.20 -0.09 -0.46 0.00 0.00 0.00 175.76 175.04 1u7i s TRP 118 N -1.31 2.55 0.06 0.00 -0.11 -1.26 -0.54 118.94 118.34 1u7i s TRP 118 Ca -0.14 -1.76 0.07 0.00 1.22 0.00 0.00 56.10 55.49 1u7i s TRP 118 Cb -0.07 -1.67 -0.03 0.00 -1.50 0.00 0.00 33.47 30.19 1u7i s TRP 118 CO 0.02 -0.78 -0.16 -0.51 -4.62 0.00 0.00 176.95 170.90 1u7i s LEU 119 N 1.35 2.74 -0.22 5.86 2.01 0.21 -0.63 118.68 130.00 1u7i s LEU 119 Ca -0.04 -0.42 -0.06 0.00 0.01 0.00 0.00 54.13 53.62 1u7i s LEU 119 Cb -0.18 -1.59 -0.03 0.00 0.01 0.00 0.00 46.19 44.40 1u7i s LEU 119 CO -0.07 0.23 0.03 0.00 1.01 0.00 0.00 176.35 177.55 1u7i s ALA 120 N -1.02 3.11 1.04 4.21 0.00 0.45 -0.57 121.76 128.99 1u7i s ALA 120 Ca 0.16 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1u7i s ALA 120 Cb -0.11 -1.89 0.19 0.00 0.00 0.00 0.00 23.12 21.31 1u7i s ALA 120 CO 0.08 -0.24 0.98 -0.40 0.00 0.00 0.00 175.76 176.18 1u7i n ASP 121 N 4.41 -0.37 0.19 0.00 5.68 0.23 -0.36 116.55 126.33 1u7i n ASP 121 Ca -0.17 -1.29 0.14 0.00 -0.50 0.00 0.00 54.79 52.97 1u7i n ASP 121 Cb 0.52 -0.78 0.63 0.00 -1.14 0.00 0.00 41.12 40.34 1u7i n ASP 121 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1u7i h ARG 122 N 0.00 0.00 -0.02 0.11 0.11 -1.72 0.09 114.38 112.95 1u7i h ARG 122 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1u7i h ARG 122 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1u7i h ARG 122 CO 0.23 0.00 -0.23 1.19 0.10 0.00 0.00 179.97 181.26 1u7i n PHE 123 N -2.48 0.00 -0.28 4.08 3.72 -1.26 -4.90 117.46 116.34 1u7i n PHE 123 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1u7i n PHE 123 Cb 0.18 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.72 3.73 1.37 0.00 0.02 -4.90 105.19 107.48 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 -2.61 4.38 0.03 1.61 1.01 -1.26 -4.56 120.40 119.00 1u7i s VAL 125 Ca 0.00 2.07 -0.28 0.00 0.00 0.00 0.00 61.98 63.77 1u7i s VAL 125 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1u7i s VAL 125 CO 0.00 0.36 0.89 -0.44 0.00 0.00 0.00 175.10 175.91 1u7i s SER 126 N -0.29 7.32 -0.12 3.32 0.01 -1.26 -0.60 113.70 122.08 1u7i s SER 126 Ca 0.46 1.59 0.01 0.00 1.31 0.00 0.00 55.95 59.31 1u7i s SER 126 Cb -0.24 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1u7i s SER 126 CO 0.30 -0.12 -0.12 0.26 0.41 0.00 0.00 173.24 173.97 1u7i s TRP 127 N 0.45 1.86 -0.21 2.43 0.52 0.27 -1.52 118.94 122.74 1u7i s TRP 127 Ca 0.46 -0.95 -0.11 0.00 0.02 0.00 0.00 56.10 55.52 1u7i s TRP 127 Cb -0.21 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1u7i s TRP 127 CO 0.26 -0.55 0.16 -0.65 0.02 0.00 0.00 176.95 176.19 1u7i s GLN 128 N 1.39 4.17 -0.15 4.98 -0.21 0.64 -0.62 119.66 129.86 1u7i s GLN 128 Ca 0.01 -0.19 -0.00 0.00 0.02 0.00 0.00 55.36 55.20 1u7i s GLN 128 Cb -0.13 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 1u7i s GLN 128 CO -0.07 0.23 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.68 1u7i s LEU 129 N 0.56 2.61 -0.05 2.90 1.43 0.30 -0.29 118.68 126.15 1u7i s LEU 129 Ca 0.09 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1u7i s LEU 129 Cb -0.12 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1u7i s LEU 129 CO 0.00 0.12 -0.13 0.21 0.23 0.00 0.00 176.35 176.78 1u7i s ASN 130 N 0.62 1.79 -0.32 2.29 2.47 -0.19 -1.40 114.94 120.19 1u7i s ASN 130 Ca -0.08 -0.29 0.01 0.00 0.42 0.00 0.00 52.86 52.92 1u7i s ASN 130 Cb -0.16 -0.62 0.08 0.00 -1.45 0.00 0.00 41.25 39.10 1u7i s ASN 130 CO 0.03 0.09 0.02 -0.22 -3.72 0.00 0.00 177.10 173.30 1u7i s LEU 131 N 0.31 4.29 0.41 3.21 2.96 0.12 -0.36 118.68 129.63 1u7i s LEU 131 Ca -0.08 -1.70 -0.24 0.00 -0.22 0.00 0.00 54.13 51.89 1u7i s LEU 131 Cb -0.12 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.81 1u7i s LEU 131 CO 0.02 -0.33 1.09 0.00 -1.32 0.00 0.00 176.35 175.81 1u7i s ALA 132 N 1.09 3.07 -2.00 5.97 0.00 -1.26 -1.61 121.76 127.02 1u7i s ALA 132 Ca 0.01 0.78 0.18 0.00 0.00 0.00 0.00 51.96 52.93 1u7i s ALA 132 Cb -0.20 -3.31 1.09 0.00 0.00 0.00 0.00 23.12 20.71 1u7i s ALA 132 CO -0.05 -0.34 1.49 0.41 0.00 0.00 0.00 175.76 177.28