#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g7i s VAL 2 N 0.00 3.44 0.02 -0.39 1.01 -1.26 -3.83 120.40 119.38 1g7i s VAL 2 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1g7i s VAL 2 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1g7i s VAL 2 CO 0.00 -0.02 -0.03 -1.10 0.00 0.00 0.00 175.10 173.96 1g7i s GLN 3 N 2.79 0.27 -0.07 2.72 -0.21 -0.77 -5.00 119.66 119.41 1g7i s GLN 3 Ca 0.69 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 55.52 1g7i s GLN 3 Cb -0.35 0.04 0.03 0.00 1.00 0.00 0.00 33.01 33.73 1g7i s GLN 3 CO 0.29 -0.03 0.16 -0.51 -2.12 0.00 0.00 175.29 173.08 1g7i s LEU 4 N -1.17 1.07 -0.03 2.90 1.02 -1.26 -1.80 118.68 119.40 1g7i s LEU 4 Ca -0.12 0.33 -0.01 0.00 0.02 0.00 0.00 54.13 54.35 1g7i s LEU 4 Cb -0.08 0.50 0.03 0.00 0.02 0.00 0.00 46.19 46.66 1g7i s LEU 4 CO -0.01 -0.10 0.06 -1.10 0.02 0.00 0.00 176.35 175.23 1g7i s GLN 5 N 0.57 0.01 0.14 1.70 -0.21 -0.66 -4.11 119.66 117.11 1g7i s GLN 5 Ca -0.04 0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.48 1g7i s GLN 5 Cb -0.06 -0.18 -0.06 0.00 1.00 0.00 0.00 33.01 33.71 1g7i s GLN 5 CO -0.03 -0.14 0.43 -1.21 -2.12 0.00 0.00 175.29 172.22 1g7i s GLU 6 N 0.92 3.71 -0.01 2.91 8.01 -1.26 -0.85 118.70 132.13 1g7i s GLU 6 Ca -0.07 0.09 0.01 0.00 0.01 0.00 0.00 54.97 55.01 1g7i s GLU 6 Cb -0.10 -2.85 0.01 0.00 -4.31 0.00 0.00 34.13 26.87 1g7i s GLU 6 CO -0.03 0.46 -0.02 -1.12 0.01 0.00 0.00 175.26 174.56 1g7i s SER 7 N -2.19 0.34 0.38 -0.19 0.01 0.13 -4.80 113.70 107.38 1g7i s SER 7 Ca 0.40 -0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.52 1g7i s SER 7 Cb -0.13 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1g7i s SER 7 CO 0.22 -0.00 0.66 -0.83 0.41 0.00 0.00 173.24 173.69 1g7i s GLY 8 N 0.22 0.92 0.24 3.44 0.00 -1.26 -0.70 107.32 110.19 1g7i s GLY 8 Ca -0.02 -1.13 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1g7i s GLY 8 CO -0.01 -0.63 1.82 -2.55 0.00 0.00 0.00 173.10 171.73 1g7i h PRO 9 N 2.04 1.10 0.00 2.90 0.11 -1.92 -3.48 132.00 132.74 1g7i h PRO 9 Ca -0.31 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1g7i h PRO 9 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1g7i h PRO 9 CO 0.40 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 1g7i n GLY 10 N -0.96 2.03 3.26 -0.55 0.00 -1.26 -4.85 105.19 102.86 1g7i n GLY 10 Ca 0.07 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1g7i n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g7i s LEU 11 N 0.00 2.27 0.11 0.99 2.96 -1.26 -0.51 118.68 123.25 1g7i s LEU 11 Ca 0.00 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.50 1g7i s LEU 11 Cb 0.00 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1g7i s LEU 11 CO 0.00 0.16 -0.20 0.68 -1.32 0.00 0.00 176.35 175.67 1g7i s VAL 12 N 0.36 1.70 0.02 1.68 -7.23 -0.74 -4.97 120.40 111.21 1g7i s VAL 12 Ca -0.16 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 1g7i s VAL 12 Cb -0.17 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1g7i s VAL 12 CO 0.08 -0.11 0.92 0.00 -0.31 0.00 0.00 175.10 175.68 1g7i s ALA 13 N -1.31 3.22 0.65 1.32 0.00 -1.26 -1.86 121.76 122.52 1g7i s ALA 13 Ca 0.07 0.48 0.34 0.00 0.00 0.00 0.00 51.96 52.85 1g7i s ALA 13 Cb -0.09 -3.25 1.89 0.00 0.00 0.00 0.00 23.12 21.66 1g7i s ALA 13 CO 0.04 -0.15 2.09 -1.35 0.00 0.00 0.00 175.76 176.40 1g7i h PRO 14 N 6.44 0.00 -1.84 0.00 0.11 -1.77 0.23 132.00 135.17 1g7i h PRO 14 Ca -0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.16 1g7i h PRO 14 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.13 1g7i h PRO 14 CO 0.74 0.00 0.56 0.43 -0.21 0.00 0.00 178.00 179.52 1g7i n SER 15 N -3.13 6.78 -3.02 -2.05 7.64 -1.26 -4.11 113.62 114.47 1g7i n SER 15 Ca -0.01 -3.35 -0.04 0.00 1.01 0.00 0.00 58.87 56.47 1g7i n SER 15 Cb 0.28 -1.15 0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1g7i n SER 15 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1g7i n GLN 16 N 0.37 0.74 -4.00 1.43 -0.06 0.79 -5.13 117.38 111.52 1g7i n GLN 16 Ca 0.48 -1.59 -0.24 0.00 -2.00 0.00 0.00 57.00 53.65 1g7i n GLN 16 Cb 0.50 2.09 -0.06 0.00 -4.06 0.00 0.00 30.24 28.72 1g7i n GLN 16 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1g7i s SER 17 N -3.19 4.57 0.07 1.69 0.01 -1.26 -3.97 113.70 111.62 1g7i s SER 17 Ca 0.20 -1.06 0.10 0.00 1.31 0.00 0.00 55.95 56.50 1g7i s SER 17 Cb -0.03 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1g7i s SER 17 CO 0.07 -0.66 -0.26 -0.22 0.41 0.00 0.00 173.24 172.58 1g7i s LEU 18 N -4.00 2.20 -0.19 2.44 2.96 0.24 -4.88 118.68 117.45 1g7i s LEU 18 Ca 0.40 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1g7i s LEU 18 Cb 0.01 -1.26 0.09 0.00 0.50 0.00 0.00 46.19 45.54 1g7i s LEU 18 CO 0.23 0.24 0.29 -0.55 -1.32 0.00 0.00 176.35 175.23 1g7i s SER 19 N -1.43 0.68 -0.07 3.68 0.15 -1.26 -1.46 113.70 113.99 1g7i s SER 19 Ca 0.12 0.21 0.05 0.00 0.70 0.00 0.00 55.95 57.04 1g7i s SER 19 Cb -0.10 0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1g7i s SER 19 CO 0.03 -0.29 -0.24 -0.63 1.20 0.00 0.00 173.24 173.31 1g7i s ILE 20 N 2.43 1.99 -0.10 6.45 1.01 0.10 -4.27 121.20 128.82 1g7i s ILE 20 Ca 0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1g7i s ILE 20 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1g7i s ILE 20 CO -0.12 0.55 0.03 -0.89 0.00 0.00 0.00 174.94 174.51 1g7i s THR 21 N 0.00 4.57 -0.27 2.92 2.01 0.13 -0.39 115.64 124.60 1g7i s THR 21 Ca -0.08 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1g7i s THR 21 Cb -0.15 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.49 1g7i s THR 21 CO 0.05 0.60 -0.05 0.00 -0.69 0.00 0.00 174.62 174.54 1g7i s THR 23 N 1.18 5.16 0.40 0.00 2.01 -0.03 -1.03 115.64 123.33 1g7i s THR 23 Ca -0.03 0.84 0.08 0.00 0.31 0.00 0.00 61.69 62.89 1g7i s THR 23 Cb -0.19 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1g7i s THR 23 CO -0.07 0.23 0.17 0.68 -0.69 0.00 0.00 174.62 174.94 1g7i s VAL 24 N 1.37 2.40 0.11 3.82 -7.23 -0.66 -1.65 120.40 118.55 1g7i s VAL 24 Ca 0.22 -1.71 -0.25 0.00 -1.81 0.00 0.00 61.98 58.43 1g7i s VAL 24 Cb -0.15 -2.98 0.08 0.00 0.56 0.00 0.00 36.38 33.88 1g7i s VAL 24 CO 0.09 -0.03 0.73 -0.94 -0.31 0.00 0.00 175.10 174.63 1g7i s SER 25 N -3.89 -0.46 0.00 4.85 1.04 -0.74 -4.89 113.70 109.61 1g7i s SER 25 Ca 0.40 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1g7i s SER 25 Cb 0.03 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1g7i s SER 25 CO 0.22 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1g7i n GLY 26 N -0.34 0.72 3.56 7.32 0.00 -1.25 -1.84 105.19 113.36 1g7i n GLY 26 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1g7i n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g7i s PHE 27 N -2.75 -0.29 0.01 1.61 -0.71 -1.26 -4.49 117.98 110.11 1g7i s PHE 27 Ca 0.00 0.34 -0.21 0.00 -1.04 0.00 0.00 56.93 56.02 1g7i s PHE 27 Cb 0.00 0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1g7i s PHE 27 CO 0.00 -0.35 0.62 0.45 -1.34 0.00 0.00 175.22 174.60 1g7i s SER 28 N -1.77 7.03 0.27 1.98 0.15 -1.26 -4.94 113.70 115.16 1g7i s SER 28 Ca 0.04 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.14 1g7i s SER 28 Cb -0.01 -2.38 1.02 0.00 -1.71 0.00 0.00 66.02 62.94 1g7i s SER 28 CO -0.04 0.11 1.70 0.18 1.20 0.00 0.00 173.24 176.39 1g7i n LEU 29 N 2.61 0.65 0.24 3.45 4.77 -1.26 -1.96 117.00 125.50 1g7i n LEU 29 Ca -0.07 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1g7i n LEU 29 Cb 0.51 -0.63 0.35 0.00 -2.33 0.00 0.00 43.42 41.32 1g7i n LEU 29 CO 0.44 -0.65 0.86 0.71 -1.33 0.00 0.00 177.39 177.42 1g7i h THR 30 N 0.00 0.05 -0.01 -5.08 1.35 -1.93 -3.27 112.91 104.03 1g7i h THR 30 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1g7i h THR 30 Cb 0.29 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1g7i h THR 30 CO 0.00 0.03 -0.28 0.61 -0.25 0.00 0.00 175.52 175.63 1g7i n GLY 31 N 0.70 0.00 3.04 5.82 0.00 -0.83 -4.25 105.19 109.67 1g7i n GLY 31 Ca 0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1g7i n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g7i s TYR 32 N -1.80 0.45 0.48 1.61 1.51 -1.23 -4.86 117.35 113.51 1g7i s TYR 32 Ca 0.14 -0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1g7i s TYR 32 Cb 0.13 -0.30 -0.01 0.00 -0.11 0.00 0.00 41.96 41.67 1g7i s TYR 32 CO 0.37 -0.21 0.73 0.20 -1.11 0.00 0.00 175.55 175.54 1g7i s GLY 33 N -1.92 1.54 -0.11 0.71 0.00 -1.07 -3.14 107.32 103.32 1g7i s GLY 33 Ca -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 1g7i s GLY 33 CO -0.03 -0.66 0.01 0.14 0.00 0.00 0.00 173.10 172.56 1g7i s VAL 34 N -2.67 0.42 0.16 1.40 1.01 -0.23 -0.66 120.40 119.83 1g7i s VAL 34 Ca 0.49 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1g7i s VAL 34 Cb -0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1g7i s VAL 34 CO 0.41 0.12 0.38 0.20 0.00 0.00 0.00 175.10 176.22 1g7i s ASN 35 N 1.94 6.47 -0.12 3.32 0.02 0.10 -1.67 114.94 124.99 1g7i s ASN 35 Ca 0.03 0.56 0.00 0.00 -1.02 0.00 0.00 52.86 52.44 1g7i s ASN 35 Cb -0.14 -2.08 -0.01 0.00 0.02 0.00 0.00 41.25 39.04 1g7i s ASN 35 CO -0.06 0.02 -0.14 0.26 0.02 0.00 0.00 177.10 177.20 1g7i s TRP 36 N -1.71 2.78 -0.00 2.20 0.52 0.28 -0.92 118.94 122.08 1g7i s TRP 36 Ca 0.41 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1g7i s TRP 36 Cb -0.12 -1.82 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1g7i s TRP 36 CO 0.26 -0.23 -0.05 0.08 0.02 0.00 0.00 176.95 177.03 1g7i s VAL 37 N 0.33 0.41 0.28 4.03 1.01 0.33 -1.07 120.40 125.73 1g7i s VAL 37 Ca -0.12 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1g7i s VAL 37 Cb -0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1g7i s VAL 37 CO 0.06 0.12 -0.10 0.00 0.00 0.00 0.00 175.10 175.18 1g7i s ARG 38 N -0.09 1.60 -0.24 2.72 1.70 -0.02 0.29 118.95 124.91 1g7i s ARG 38 Ca 0.02 -1.79 -0.03 0.00 -0.47 0.00 0.00 55.73 53.46 1g7i s ARG 38 Cb -0.02 -1.36 0.12 0.00 -0.57 0.00 0.00 34.95 33.11 1g7i s ARG 38 CO -0.00 0.12 0.32 -1.14 -1.08 0.00 0.00 175.30 173.52 1g7i s GLN 39 N -3.66 0.30 0.61 3.89 0.74 -0.16 0.19 119.66 121.56 1g7i s GLN 39 Ca 0.29 0.37 -0.18 0.00 0.05 0.00 0.00 55.36 55.89 1g7i s GLN 39 Cb 0.02 -0.72 -0.03 0.00 1.10 0.00 0.00 33.01 33.37 1g7i s GLN 39 CO 0.13 -0.69 1.20 -2.14 -0.55 0.00 0.00 175.29 173.24 1g7i s PRO 40 N 2.46 2.91 -0.05 1.67 0.02 -1.26 -1.11 135.00 139.65 1g7i s PRO 40 Ca 0.10 1.78 -0.38 0.00 0.02 0.00 0.00 61.00 62.52 1g7i s PRO 40 Cb -0.15 -1.93 -0.17 0.00 0.02 0.00 0.00 34.50 32.27 1g7i s PRO 40 CO -0.16 -1.24 1.45 -2.30 -0.33 0.00 0.00 177.00 174.42 1g7i n PRO 41 N -1.72 1.03 -0.88 5.54 -0.02 -1.26 -0.10 135.00 137.59 1g7i n PRO 41 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1g7i n PRO 41 Cb 0.50 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1g7i n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g7i n GLY 42 N 3.01 0.47 0.00 -1.23 0.00 -1.26 -4.98 105.19 101.20 1g7i n GLY 42 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1g7i n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g7i n LYS 43 N -1.75 1.55 -1.73 1.61 4.76 0.86 -5.14 118.16 118.32 1g7i n LYS 43 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1g7i n LYS 43 Cb 0.08 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.37 1g7i n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g7i n GLY 44 N 5.00 -0.04 3.78 0.72 0.00 -1.26 -4.73 105.19 108.66 1g7i n GLY 44 Ca 0.00 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 1g7i n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g7i s LEU 45 N 0.00 4.54 -0.07 0.99 1.43 -1.26 -4.04 118.68 120.28 1g7i s LEU 45 Ca 0.48 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.08 1g7i s LEU 45 Cb -0.02 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1g7i s LEU 45 CO 0.32 0.20 -0.16 -0.70 0.23 0.00 0.00 176.35 176.24 1g7i s GLU 46 N -0.92 2.03 -0.18 1.70 2.12 0.13 -4.97 118.70 118.61 1g7i s GLU 46 Ca 0.34 -0.58 -0.27 0.00 0.36 0.00 0.00 54.97 54.82 1g7i s GLU 46 Cb -0.21 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1g7i s GLU 46 CO 0.23 0.12 0.91 -0.46 -0.54 0.00 0.00 175.26 175.52 1g7i s TRP 47 N 0.41 3.40 -0.21 5.30 -0.00 -1.26 -0.84 118.94 125.74 1g7i s TRP 47 Ca -0.12 1.35 -0.17 0.00 -0.00 0.00 0.00 56.10 57.15 1g7i s TRP 47 Cb -0.15 -3.11 -0.19 0.00 -0.00 0.00 0.00 33.47 30.03 1g7i s TRP 47 CO 0.04 -0.31 0.12 1.28 -0.00 0.00 0.00 176.95 178.08 1g7i n LEU 48 N 5.53 2.04 0.00 5.86 4.77 -0.23 -4.54 117.00 130.43 1g7i n LEU 48 Ca 0.07 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1g7i n LEU 48 Cb 0.48 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1g7i n LEU 48 CO 0.50 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1g7i n GLY 49 N 1.51 -1.49 3.37 -0.72 0.00 -1.16 0.07 105.19 106.76 1g7i n GLY 49 Ca -0.37 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1g7i n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1g7i s MET 50 N -1.27 1.02 -0.17 1.61 0.23 -0.24 -0.55 119.30 119.93 1g7i s MET 50 Ca 0.00 -0.34 0.01 0.00 -1.03 0.00 0.00 55.69 54.33 1g7i s MET 50 Cb 0.00 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 1g7i s MET 50 CO 0.00 -0.37 -0.18 -1.50 -2.03 0.00 0.00 175.02 170.94 1g7i s ILE 51 N -2.70 1.89 1.01 3.16 2.07 -0.67 -2.07 121.20 123.89 1g7i s ILE 51 Ca -0.04 -0.84 -0.12 0.00 -1.41 0.00 0.00 60.65 58.24 1g7i s ILE 51 Cb -0.00 -1.73 0.19 0.00 0.13 0.00 0.00 42.46 41.05 1g7i s ILE 51 CO -0.04 0.51 1.09 0.26 -1.91 0.00 0.00 174.94 174.85 1g7i s TRP 52 N 1.35 2.04 0.31 3.50 0.52 0.19 -1.07 118.94 125.78 1g7i s TRP 52 Ca 0.05 1.04 0.00 0.00 0.02 0.00 0.00 56.10 57.21 1g7i s TRP 52 Cb -0.13 -3.24 0.51 0.00 -1.15 0.00 0.00 33.47 29.47 1g7i s TRP 52 CO -0.12 -2.96 1.94 0.78 0.02 0.00 0.00 176.95 176.61 1g7i h GLY 53 N -1.94 1.22 0.61 0.98 0.00 -1.73 -1.34 103.07 100.86 1g7i h GLY 53 Ca -0.55 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1g7i h GLY 53 CO 0.56 0.35 0.00 2.09 0.00 0.00 0.00 176.54 179.54 1g7i n ASP 54 N -4.45 0.00 0.00 0.19 5.68 -1.26 -4.38 116.55 112.32 1g7i n ASP 54 Ca 0.12 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1g7i n ASP 54 Cb 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1g7i n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g7i n GLY 55 N 0.67 1.30 3.77 6.12 0.00 -0.50 -5.05 105.19 111.50 1g7i n GLY 55 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1g7i n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g7i s ASN 56 N -2.43 5.41 0.11 1.61 0.01 -1.26 -4.73 114.94 113.66 1g7i s ASN 56 Ca 0.00 2.13 0.07 0.00 -0.71 0.00 0.00 52.86 54.36 1g7i s ASN 56 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1g7i s ASN 56 CO 0.00 -1.43 -0.19 0.42 -1.51 0.00 0.00 177.10 174.39 1g7i s THR 57 N -1.97 1.58 -0.03 1.60 -4.23 -1.26 -0.63 115.64 110.69 1g7i s THR 57 Ca 0.71 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1g7i s THR 57 Cb -0.23 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.10 1g7i s THR 57 CO 0.33 -0.17 0.11 -1.81 -0.54 0.00 0.00 174.62 172.54 1g7i s ASP 58 N -2.06 -0.05 0.19 3.99 1.11 -0.88 -5.00 116.67 113.98 1g7i s ASP 58 Ca 0.07 0.05 0.04 0.00 0.18 0.00 0.00 52.55 52.89 1g7i s ASP 58 Cb -0.09 0.22 -0.05 0.00 1.07 0.00 0.00 42.92 44.07 1g7i s ASP 58 CO 0.04 -0.15 -0.06 -0.31 1.18 0.00 0.00 175.17 175.87 1g7i s TYR 59 N -0.47 1.46 0.16 4.23 2.02 -1.26 -1.08 117.35 122.41 1g7i s TYR 59 Ca -0.05 -0.81 -0.31 0.00 -0.37 0.00 0.00 57.07 55.52 1g7i s TYR 59 Cb -0.04 -0.79 -0.11 0.00 -0.40 0.00 0.00 41.96 40.62 1g7i s TYR 59 CO 0.00 0.06 1.80 -1.71 -1.57 0.00 0.00 175.55 174.14 1g7i n ASN 60 N -0.33 4.07 -0.10 2.29 2.85 0.11 -4.86 115.26 119.29 1g7i n ASN 60 Ca -0.08 1.01 -0.07 0.00 -0.11 0.00 0.00 54.58 55.34 1g7i n ASN 60 Cb 0.62 -1.56 -0.01 0.00 1.24 0.00 0.00 39.78 40.07 1g7i n ASN 60 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1g7i h SER 61 N 7.94 -0.85 0.41 1.20 0.02 -1.93 0.80 113.55 121.14 1g7i h SER 61 Ca -0.45 0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1g7i h SER 61 Cb 1.21 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 1g7i h SER 61 CO 0.95 -0.28 -0.31 0.00 -1.14 0.00 0.00 176.83 176.05 1g7i h ALA 62 N 0.90 1.35 -0.02 3.77 0.00 -1.99 -3.09 119.26 120.18 1g7i h ALA 62 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1g7i h ALA 62 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1g7i h ALA 62 CO -0.47 0.39 -0.36 1.28 0.00 0.00 0.00 179.25 180.09 1g7i n LEU 63 N -3.98 2.00 -0.33 0.00 4.32 -1.03 -4.65 117.00 113.33 1g7i n LEU 63 Ca -0.02 -0.80 0.19 0.00 -0.02 0.00 0.00 56.01 55.37 1g7i n LEU 63 Cb 0.37 0.00 0.41 0.00 -1.62 0.00 0.00 43.42 42.58 1g7i n LEU 63 CO 0.37 0.37 1.11 0.50 -1.22 0.00 0.00 177.39 178.52 1g7i h LYS 64 N 2.47 0.40 0.00 3.23 3.64 -0.76 -0.10 116.57 125.45 1g7i h LYS 64 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1g7i h LYS 64 Cb 0.71 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1g7i h LYS 64 CO 0.00 0.26 -0.13 0.66 -2.27 0.00 0.00 179.45 177.98 1g7i h SER 65 N 0.41 0.00 0.00 4.20 4.64 -1.82 -2.89 113.55 118.09 1g7i h SER 65 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1g7i h SER 65 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1g7i h SER 65 CO -0.56 0.13 -1.17 0.54 -0.87 0.00 0.00 176.83 174.90 1g7i n ARG 66 N -3.48 0.46 -3.95 4.77 1.74 -0.12 -4.94 116.66 111.14 1g7i n ARG 66 Ca -0.01 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.71 1g7i n ARG 66 Cb 0.28 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1g7i n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1g7i s LEU 67 N -3.28 4.25 -0.19 0.55 1.43 -0.81 -1.00 118.68 119.62 1g7i s LEU 67 Ca 0.04 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1g7i s LEU 67 Cb 0.15 -2.77 0.09 0.00 0.03 0.00 0.00 46.19 43.69 1g7i s LEU 67 CO 0.83 0.20 0.41 -0.55 0.23 0.00 0.00 176.35 177.46 1g7i s SER 68 N -2.31 -0.22 -0.04 2.29 0.15 0.02 -4.91 113.70 108.67 1g7i s SER 68 Ca 0.32 0.96 0.07 0.00 0.70 0.00 0.00 55.95 57.99 1g7i s SER 68 Cb -0.13 1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 65.44 1g7i s SER 68 CO 0.24 -0.23 -0.24 -0.63 1.20 0.00 0.00 173.24 173.58 1g7i s ILE 69 N 2.53 1.96 0.33 6.45 1.01 -1.26 0.01 121.20 132.23 1g7i s ILE 69 Ca -0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 1g7i s ILE 69 Cb -0.12 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1g7i s ILE 69 CO -0.12 0.55 0.49 -0.94 0.00 0.00 0.00 174.94 174.91 1g7i s SER 70 N -0.32 0.69 0.25 3.58 1.04 -0.70 -4.97 113.70 113.27 1g7i s SER 70 Ca 0.02 -1.38 -0.18 0.00 0.48 0.00 0.00 55.95 54.89 1g7i s SER 70 Cb -0.12 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1g7i s SER 70 CO 0.02 -1.29 0.59 -1.59 0.98 0.00 0.00 173.24 171.95 1g7i s LYS 71 N -3.17 1.60 -0.37 4.02 -2.85 -1.26 -0.27 119.74 117.44 1g7i s LYS 71 Ca 0.29 -1.03 0.01 0.00 -1.00 0.00 0.00 55.97 54.23 1g7i s LYS 71 Cb -0.01 0.54 0.12 0.00 -2.06 0.00 0.00 37.83 36.42 1g7i s LYS 71 CO 0.18 -0.70 0.16 0.34 0.10 0.00 0.00 175.35 175.43 1g7i s ASP 72 N -2.94 3.87 0.21 0.03 3.68 0.03 -5.00 116.67 116.56 1g7i s ASP 72 Ca 0.14 -2.12 -0.09 0.00 2.13 0.00 0.00 52.55 52.61 1g7i s ASP 72 Cb -0.03 -0.97 0.29 0.00 -1.45 0.00 0.00 42.92 40.76 1g7i s ASP 72 CO 0.05 -0.34 1.75 0.78 0.13 0.00 0.00 175.17 177.53 1g7i h ASN 73 N 7.43 0.24 -0.15 -0.34 2.35 -1.97 -0.11 115.58 123.02 1g7i h ASN 73 Ca -0.07 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1g7i h ASN 73 Cb 0.98 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1g7i h ASN 73 CO 0.47 0.14 0.01 0.77 -1.65 0.00 0.00 177.43 177.18 1g7i h SER 74 N 0.42 0.34 -0.02 5.81 4.64 -1.95 -1.47 113.55 121.31 1g7i h SER 74 Ca 0.31 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1g7i h SER 74 Cb 0.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1g7i h SER 74 CO -0.31 0.39 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1g7i n LYS 75 N -4.35 1.90 -3.77 4.77 5.02 -0.77 -4.96 118.16 116.00 1g7i n LYS 75 Ca 0.01 -1.31 -0.24 0.00 -2.02 0.00 0.00 58.31 54.75 1g7i n LYS 75 Cb 0.19 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1g7i n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1g7i n SER 76 N 0.59 -2.03 -4.00 4.39 7.64 -0.13 -4.88 113.62 115.21 1g7i n SER 76 Ca 0.17 -0.82 -0.18 0.00 1.01 0.00 0.00 58.87 59.05 1g7i n SER 76 Cb 0.44 -3.95 -0.15 0.00 -1.01 0.00 0.00 64.21 59.54 1g7i n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1g7i s GLN 77 N -6.18 0.70 -0.01 1.43 -0.21 -0.94 -1.66 119.66 112.81 1g7i s GLN 77 Ca 0.17 -0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.34 1g7i s GLN 77 Cb -0.08 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 33.22 1g7i s GLN 77 CO 0.82 0.16 -0.25 0.08 -2.12 0.00 0.00 175.29 173.98 1g7i s VAL 78 N -0.10 2.17 0.03 1.09 1.01 -0.20 -0.79 120.40 123.62 1g7i s VAL 78 Ca 0.02 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1g7i s VAL 78 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1g7i s VAL 78 CO -0.00 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.04 1g7i s PHE 79 N -0.66 2.07 -0.12 5.22 0.40 0.62 -0.17 117.98 125.34 1g7i s PHE 79 Ca 0.11 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1g7i s PHE 79 Cb -0.10 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.19 1g7i s PHE 79 CO -0.00 0.08 -0.19 -1.17 0.70 0.00 0.00 175.22 174.64 1g7i s LEU 80 N -1.08 1.94 -0.08 -0.37 2.96 0.48 -1.72 118.68 120.81 1g7i s LEU 80 Ca 0.09 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1g7i s LEU 80 Cb -0.09 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1g7i s LEU 80 CO 0.01 0.07 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.37 1g7i s LYS 81 N 0.78 2.46 -0.03 1.98 1.02 0.10 0.02 119.74 126.07 1g7i s LYS 81 Ca -0.10 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.18 1g7i s LYS 81 Cb -0.16 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1g7i s LYS 81 CO 0.01 0.19 -0.06 1.41 -0.92 0.00 0.00 175.35 175.97 1g7i s MET 82 N 0.29 0.83 0.30 1.68 1.75 -0.54 -0.80 119.30 122.80 1g7i s MET 82 Ca -0.13 -0.17 0.10 0.00 -1.25 0.00 0.00 55.69 54.24 1g7i s MET 82 Cb -0.16 -0.80 -0.06 0.00 2.84 0.00 0.00 34.83 36.65 1g7i s MET 82 CO 0.06 -0.01 -0.15 0.54 -0.65 0.00 0.00 175.02 174.82 1g7i s ASN 83 N 0.59 3.49 -0.54 1.11 2.20 -0.17 0.82 114.94 122.44 1g7i s ASN 83 Ca -0.08 -1.10 -0.01 0.00 -0.94 0.00 0.00 52.86 50.72 1g7i s ASN 83 Cb -0.12 -0.29 -0.02 0.00 -2.00 0.00 0.00 41.25 38.82 1g7i s ASN 83 CO 0.00 -0.10 0.46 -1.20 -2.94 0.00 0.00 177.10 173.33 1g7i n SER 84 N -0.66 -3.13 -4.57 3.54 7.64 -1.26 -4.73 113.62 110.45 1g7i n SER 84 Ca -0.05 -0.32 -0.40 0.00 1.01 0.00 0.00 58.87 59.10 1g7i n SER 84 Cb 0.62 -2.75 -0.03 0.00 -1.01 0.00 0.00 64.21 61.03 1g7i n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1g7i s LEU 85 N -4.13 3.41 0.52 -3.43 1.02 -1.25 -4.99 118.68 109.82 1g7i s LEU 85 Ca 0.11 0.95 -0.04 0.00 0.02 0.00 0.00 54.13 55.16 1g7i s LEU 85 Cb -0.01 -3.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.17 1g7i s LEU 85 CO 0.35 -2.13 0.81 -1.00 0.02 0.00 0.00 176.35 174.40 1g7i s HIS 86 N 8.49 3.35 0.33 0.29 3.76 -1.26 -4.39 115.29 125.87 1g7i s HIS 86 Ca 0.79 0.60 0.38 0.00 -0.15 0.00 0.00 55.06 56.68 1g7i s HIS 86 Cb -0.19 -2.49 1.89 0.00 1.11 0.00 0.00 32.58 32.90 1g7i s HIS 86 CO 0.28 -0.54 2.14 1.79 -0.85 0.00 0.00 174.74 177.56 1g7i h THR 87 N 0.09 0.00 0.00 1.30 1.35 -1.89 -1.62 112.91 112.14 1g7i h THR 87 Ca -0.46 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1g7i h THR 87 Cb 1.24 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1g7i h THR 87 CO 0.60 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.34 1g7i n ASP 88 N -2.94 0.00 -0.39 5.36 9.92 -1.26 -2.50 116.55 124.74 1g7i n ASP 88 Ca -0.01 -0.40 0.12 0.00 -0.53 0.00 0.00 54.79 53.96 1g7i n ASP 88 Cb 0.15 -0.17 0.52 0.00 -0.64 0.00 0.00 41.12 40.98 1g7i n ASP 88 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1g7i n ASP 89 N -1.17 1.19 -4.67 -2.24 8.00 -0.61 -4.83 116.55 112.22 1g7i n ASP 89 Ca 0.16 -1.51 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1g7i n ASP 89 Cb 0.16 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1g7i n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1g7i s THR 90 N -1.92 3.76 -0.03 -3.53 2.01 -1.04 -4.81 115.64 110.08 1g7i s THR 90 Ca 0.36 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.08 1g7i s THR 90 Cb 0.19 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 69.15 1g7i s THR 90 CO 0.30 -0.06 1.30 0.00 -0.69 0.00 0.00 174.62 175.47 1g7i s ALA 91 N 3.27 -2.43 -0.22 7.40 0.00 -0.35 -4.46 121.76 124.97 1g7i s ALA 91 Ca 0.66 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 1g7i s ALA 91 Cb -0.30 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1g7i s ALA 91 CO 0.25 -1.12 0.26 0.50 0.00 0.00 0.00 175.76 175.66 1g7i s ARG 92 N -2.12 4.12 -0.18 0.00 3.52 -0.27 -0.00 118.95 124.02 1g7i s ARG 92 Ca 0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 55.73 55.70 1g7i s ARG 92 Cb 0.02 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1g7i s ARG 92 CO -0.02 0.03 0.11 0.71 -0.81 0.00 0.00 175.30 175.31 1g7i s TYR 93 N 1.14 3.39 0.13 5.12 1.51 0.13 -0.99 117.35 127.77 1g7i s TYR 93 Ca 0.13 0.28 0.08 0.00 -1.01 0.00 0.00 57.07 56.55 1g7i s TYR 93 Cb -0.14 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1g7i s TYR 93 CO 0.06 0.34 -0.20 0.71 -1.11 0.00 0.00 175.55 175.35 1g7i s TYR 94 N 0.06 1.81 -0.02 2.71 2.02 0.14 -0.51 117.35 123.56 1g7i s TYR 94 Ca 0.08 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1g7i s TYR 94 Cb -0.12 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.47 1g7i s TYR 94 CO -0.00 0.26 -0.24 0.00 -1.57 0.00 0.00 175.55 174.00 1g7i s ALA 96 N -0.51 0.17 0.19 0.00 0.00 -0.10 -1.41 121.76 120.10 1g7i s ALA 96 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1g7i s ALA 96 Cb -0.10 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1g7i s ALA 96 CO -0.00 -0.05 0.90 0.50 0.00 0.00 0.00 175.76 177.10 1g7i s ARG 97 N -0.80 4.75 -0.22 0.00 3.52 0.72 -0.72 118.95 126.19 1g7i s ARG 97 Ca -0.07 1.39 -0.05 0.00 -0.13 0.00 0.00 55.73 56.86 1g7i s ARG 97 Cb -0.06 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1g7i s ARG 97 CO -0.00 0.45 0.01 -2.00 -0.81 0.00 0.00 175.30 172.95 1g7i s GLU 98 N -0.86 3.58 -0.33 5.12 2.12 0.17 -1.89 118.70 126.62 1g7i s GLU 98 Ca 0.41 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1g7i s GLU 98 Cb -0.25 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.10 1g7i s GLU 98 CO 0.30 -0.07 0.04 0.50 -0.54 0.00 0.00 175.26 175.48 1g7i s ARG 99 N 1.23 2.07 -1.29 4.30 3.52 -0.04 -2.60 118.95 126.14 1g7i s ARG 99 Ca 0.04 -1.56 -0.12 0.00 -0.13 0.00 0.00 55.73 53.96 1g7i s ARG 99 Cb -0.15 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1g7i s ARG 99 CO 0.01 -0.79 0.57 -3.47 -0.81 0.00 0.00 175.30 170.82 1g7i n ASP 100 N 4.49 -2.56 -1.40 -2.12 4.64 -1.26 -2.81 116.55 115.53 1g7i n ASP 100 Ca -0.07 -1.05 -0.09 0.00 -1.38 0.00 0.00 54.79 52.20 1g7i n ASP 100 Cb 0.42 -2.98 0.02 0.00 -1.04 0.00 0.00 41.12 37.54 1g7i n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1g7i n TYR 101 N -4.40 -0.84 -3.67 -0.67 4.02 -1.26 -5.06 117.16 105.28 1g7i n TYR 101 Ca -0.21 0.25 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 1g7i n TYR 101 Cb 0.64 -2.40 -0.08 0.00 -0.02 0.00 0.00 39.34 37.48 1g7i n TYR 101 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1g7i s ARG 102 N -5.10 0.66 -0.81 -0.72 3.03 -1.12 -5.09 118.95 109.80 1g7i s ARG 102 Ca 0.14 0.85 -0.21 0.00 2.03 0.00 0.00 55.73 58.55 1g7i s ARG 102 Cb -0.06 0.29 0.10 0.00 -1.03 0.00 0.00 34.95 34.24 1g7i s ARG 102 CO 0.18 -0.09 1.06 -0.51 -1.13 0.00 0.00 175.30 174.80 1g7i s LEU 103 N 0.52 4.71 0.33 -1.89 1.43 -1.26 -0.86 118.68 121.65 1g7i s LEU 103 Ca -0.02 -1.55 0.21 0.00 -1.03 0.00 0.00 54.13 51.74 1g7i s LEU 103 Cb -0.04 -2.41 0.17 0.00 0.03 0.00 0.00 46.19 43.93 1g7i s LEU 103 CO -0.02 -1.25 1.39 -2.24 0.23 0.00 0.00 176.35 174.47 1g7i h ASP 104 N 9.20 0.00 -3.57 2.29 3.04 -1.72 -3.45 116.42 122.21 1g7i h ASP 104 Ca -0.04 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.45 1g7i h ASP 104 Cb 1.05 0.00 -0.33 0.00 -1.04 0.00 0.00 39.33 39.01 1g7i h ASP 104 CO 1.15 0.16 -0.73 -0.31 -2.04 0.00 0.00 179.24 177.47 1g7i s TYR 105 N -3.16 0.10 0.11 4.15 1.51 -1.25 -5.01 117.35 113.80 1g7i s TYR 105 Ca 0.04 0.07 0.10 0.00 -1.01 0.00 0.00 57.07 56.27 1g7i s TYR 105 Cb 0.07 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1g7i s TYR 105 CO 0.72 -0.08 -0.24 -1.58 -1.11 0.00 0.00 175.55 173.26 1g7i s TRP 106 N 0.83 2.10 0.88 2.71 0.52 -1.26 -0.20 118.94 124.51 1g7i s TRP 106 Ca -0.07 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.52 1g7i s TRP 106 Cb -0.10 -1.15 0.14 0.00 -1.15 0.00 0.00 33.47 31.20 1g7i s TRP 106 CO -0.02 0.27 1.24 0.20 0.02 0.00 0.00 176.95 178.66 1g7i s GLY 107 N -1.92 1.69 0.45 0.98 0.00 -0.50 -4.72 107.32 103.31 1g7i s GLY 107 Ca 0.11 -0.95 0.27 0.00 0.00 0.00 0.00 44.72 44.14 1g7i s GLY 107 CO 0.05 -0.32 1.75 1.46 0.00 0.00 0.00 173.10 176.04 1g7i h GLN 108 N -1.33 0.00 0.00 2.90 4.20 -1.90 -3.45 115.11 115.53 1g7i h GLN 108 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1g7i h GLN 108 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1g7i h GLN 108 CO 0.51 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1g7i n GLY 109 N 0.72 0.73 2.78 3.46 0.00 -1.26 -5.01 105.19 106.61 1g7i n GLY 109 Ca 0.03 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 1g7i n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g7i s THR 110 N -2.33 0.05 0.09 2.61 -1.32 0.33 -4.73 115.64 110.33 1g7i s THR 110 Ca 0.00 0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 60.38 1g7i s THR 110 Cb 0.00 -0.18 -0.06 0.00 -1.51 0.00 0.00 72.50 70.75 1g7i s THR 110 CO 0.00 0.13 0.88 0.42 -2.21 0.00 0.00 174.62 173.84 1g7i s THR 111 N 1.18 4.59 -0.06 5.08 -4.23 -1.26 0.18 115.64 121.12 1g7i s THR 111 Ca -0.08 1.89 0.04 0.00 -1.18 0.00 0.00 61.69 62.36 1g7i s THR 111 Cb -0.13 -4.24 -0.00 0.00 1.34 0.00 0.00 72.50 69.47 1g7i s THR 111 CO -0.03 0.34 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.99 1g7i s LEU 112 N -0.04 1.92 -0.11 4.79 2.96 0.99 -4.29 118.68 124.90 1g7i s LEU 112 Ca 0.43 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1g7i s LEU 112 Cb -0.22 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.38 1g7i s LEU 112 CO 0.27 0.14 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.37 1g7i s THR 113 N 0.21 1.72 -0.42 3.68 2.01 0.34 -1.22 115.64 121.96 1g7i s THR 113 Ca -0.09 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 1g7i s THR 113 Cb -0.14 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1g7i s THR 113 CO 0.04 0.48 0.64 -0.69 -0.69 0.00 0.00 174.62 174.41 1g7i s VAL 114 N 0.83 4.84 0.00 3.82 1.01 -1.26 -1.80 120.40 127.84 1g7i s VAL 114 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1g7i s VAL 114 Cb -0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1g7i s VAL 114 CO 0.00 -0.53 0.00 -1.54 0.00 0.00 0.00 175.10 173.03 1g7i n SER 115 N 6.21 0.00 -0.71 3.32 3.41 -0.78 -4.70 113.62 120.37 1g7i n SER 115 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1g7i n SER 115 Cb 0.48 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1g7i n SER 115 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68