#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7k s LEU 2 N 0.00 2.14 0.00 2.45 1.43 -0.53 -1.32 118.68 122.85 1u7k s LEU 2 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1u7k s LEU 2 Cb 0.00 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1u7k s LEU 2 CO 0.00 0.19 0.00 -2.11 0.23 0.00 0.00 176.35 174.66 1u7k n ARG 3 N 1.97 0.00 -4.01 1.70 1.85 -0.49 -4.31 116.66 113.38 1u7k n ARG 3 Ca -0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.59 1u7k n ARG 3 Cb 0.53 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.86 1u7k n ARG 3 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1u7k s GLY 5 N 0.00 0.58 0.41 2.89 0.00 0.64 -0.19 107.32 111.64 1u7k s GLY 5 Ca 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 44.72 43.78 1u7k s GLY 5 CO 0.00 -1.02 1.98 -1.33 0.00 0.00 0.00 173.10 172.74 1u7k h GLY 6 N 2.70 0.70 -0.82 0.20 0.00 -2.03 0.59 103.07 104.40 1u7k h GLY 6 Ca -0.33 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1u7k h GLY 6 CO 0.53 0.15 0.00 1.16 0.00 0.00 0.00 176.54 178.39 1u7k n ASN 7 N -4.48 1.15 0.00 0.19 6.94 -1.26 -4.87 115.26 112.94 1u7k n ASN 7 Ca 0.09 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1u7k n ASN 7 Cb 0.28 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1u7k n ASN 7 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u7k n GLY 8 N 0.66 0.81 3.77 4.83 0.00 0.20 -5.03 105.19 110.42 1u7k n GLY 8 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1u7k n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u7k s GLN 9 N -0.15 4.26 0.44 1.61 0.74 -1.26 -4.78 119.66 120.52 1u7k s GLN 9 Ca 0.00 0.62 -0.24 0.00 0.05 0.00 0.00 55.36 55.79 1u7k s GLN 9 Cb 0.00 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.69 1u7k s GLN 9 CO 0.00 0.37 1.16 -0.51 -0.55 0.00 0.00 175.29 175.77 1u7k s LEU 10 N -0.15 4.07 -0.09 3.68 1.43 -1.26 -0.26 118.68 126.10 1u7k s LEU 10 Ca 0.29 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1u7k s LEU 10 Cb -0.17 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1u7k s LEU 10 CO 0.15 -0.83 -0.16 -1.58 0.23 0.00 0.00 176.35 174.16 1u7k s GLN 11 N -2.57 2.16 -0.10 1.70 0.74 0.73 -4.87 119.66 117.46 1u7k s GLN 11 Ca 0.61 -0.56 -0.06 0.00 0.05 0.00 0.00 55.36 55.41 1u7k s GLN 11 Cb -0.29 -1.77 -0.04 0.00 1.10 0.00 0.00 33.01 32.01 1u7k s GLN 11 CO 0.36 0.01 0.13 -0.47 -0.55 0.00 0.00 175.29 174.78 1u7k s TYR 12 N 0.75 3.55 -0.03 1.67 5.04 -1.26 -1.39 117.35 125.67 1u7k s TYR 12 Ca -0.12 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 54.88 1u7k s TYR 12 Cb -0.16 -1.90 0.02 0.00 0.35 0.00 0.00 41.96 40.26 1u7k s TYR 12 CO 0.02 0.70 0.23 1.67 -1.34 0.00 0.00 175.55 176.83 1u7k s TRP 13 N -1.07 -0.13 0.57 4.97 -2.14 -0.43 -4.99 118.94 115.72 1u7k s TRP 13 Ca 0.17 0.26 -0.16 0.00 2.66 0.00 0.00 56.10 59.02 1u7k s TRP 13 Cb -0.12 0.04 -0.05 0.00 -3.10 0.00 0.00 33.47 30.25 1u7k s TRP 13 CO 0.06 -0.26 1.05 -1.25 -2.66 0.00 0.00 176.95 173.89 1u7k s PRO 14 N -0.85 3.44 0.38 3.25 0.05 -1.26 0.86 135.00 140.86 1u7k s PRO 14 Ca -0.09 1.18 -0.28 0.00 0.05 0.00 0.00 61.00 61.86 1u7k s PRO 14 Cb -0.05 -2.05 -0.11 0.00 0.05 0.00 0.00 34.50 32.34 1u7k s PRO 14 CO 0.02 -0.71 1.43 1.19 0.05 0.00 0.00 177.00 178.98 1u7k n PHE 15 N -1.89 2.77 -2.22 0.56 0.99 -1.26 -4.73 117.46 111.68 1u7k n PHE 15 Ca 0.08 0.47 -0.41 0.00 -0.00 0.00 0.00 57.45 57.60 1u7k n PHE 15 Cb 0.53 -2.49 -0.03 0.00 -1.00 0.00 0.00 39.48 36.49 1u7k n PHE 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u7k s SER 16 N -0.22 6.90 0.47 4.37 0.15 -1.26 -4.93 113.70 119.18 1u7k s SER 16 Ca 0.55 2.45 0.13 0.00 0.70 0.00 0.00 55.95 59.78 1u7k s SER 16 Cb -0.49 -2.62 1.07 0.00 -1.71 0.00 0.00 66.02 62.26 1u7k s SER 16 CO 0.63 -0.49 2.06 0.77 1.20 0.00 0.00 173.24 177.40 1u7k h SER 17 N 4.83 0.09 -0.98 5.45 4.64 -2.00 -2.29 113.55 123.29 1u7k h SER 17 Ca -0.46 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1u7k h SER 17 Cb 1.22 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 1u7k h SER 17 CO 0.74 0.15 0.64 0.28 -0.87 0.00 0.00 176.83 177.77 1u7k h SER 18 N 0.10 1.05 -0.09 4.97 0.02 -1.99 0.01 113.55 117.62 1u7k h SER 18 Ca 0.02 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1u7k h SER 18 Cb 0.14 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1u7k h SER 18 CO 0.01 0.70 -0.02 0.44 -1.14 0.00 0.00 176.83 176.82 1u7k h ASP 19 N 1.20 0.17 -0.44 3.07 3.32 -1.81 -0.75 116.42 121.19 1u7k h ASP 19 Ca 0.40 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1u7k h ASP 19 Cb 0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1u7k h ASP 19 CO -0.14 0.49 0.27 -0.07 -1.72 0.00 0.00 179.24 178.08 1u7k h LEU 20 N -0.14 0.46 -0.45 1.55 3.38 -1.25 0.89 115.31 119.75 1u7k h LEU 20 Ca 0.02 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1u7k h LEU 20 Cb 0.41 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1u7k h LEU 20 CO 0.01 0.33 -0.70 1.88 0.09 0.00 0.00 178.44 180.05 1u7k h TYR 21 N 0.56 0.50 -0.64 1.13 0.99 -1.03 -1.70 116.97 116.78 1u7k h TYR 21 Ca 0.17 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1u7k h TYR 21 Cb -0.03 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 1u7k h TYR 21 CO -0.06 0.96 0.33 -0.91 -0.00 0.00 0.00 178.16 178.48 1u7k h ASN 22 N 0.26 0.82 -0.69 3.88 2.35 -0.81 0.23 115.58 121.63 1u7k h ASN 22 Ca -0.02 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1u7k h ASN 22 Cb 1.27 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 1u7k h ASN 22 CO 0.12 0.70 0.45 -0.50 -1.65 0.00 0.00 177.43 176.55 1u7k h TRP 23 N 0.88 0.85 -0.31 1.19 6.55 -0.63 -0.80 115.95 123.69 1u7k h TRP 23 Ca 0.22 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 60.04 1u7k h TRP 23 Cb 0.08 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 1u7k h TRP 23 CO -0.00 0.53 0.04 -0.22 -1.05 0.00 0.00 178.44 177.74 1u7k h LYS 24 N 0.92 0.52 0.00 0.49 3.64 -0.92 -3.22 116.57 117.99 1u7k h LYS 24 Ca 0.26 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1u7k h LYS 24 Cb -0.09 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1u7k h LYS 24 CO -0.06 0.62 0.00 -0.91 -2.27 0.00 0.00 179.45 176.83 1u7k h ASN 25 N 0.34 0.00 -0.69 4.20 2.35 -0.25 -3.06 115.58 118.46 1u7k h ASN 25 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1u7k h ASN 25 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1u7k h ASN 25 CO 0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 1u7k n ASN 26 N -2.37 4.14 -4.05 5.81 3.02 -0.33 -4.96 115.26 116.52 1u7k n ASN 26 Ca 0.04 -2.13 -0.11 0.00 -0.03 0.00 0.00 54.58 52.36 1u7k n ASN 26 Cb 0.39 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1u7k n ASN 26 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1u7k s ASN 27 N -0.98 0.64 0.93 6.41 0.01 -1.16 -5.07 114.94 115.72 1u7k s ASN 27 Ca 0.49 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.87 1u7k s ASN 27 Cb 0.27 0.09 0.15 0.00 0.41 0.00 0.00 41.25 42.17 1u7k s ASN 27 CO 0.30 -0.32 1.09 -2.16 -1.51 0.00 0.00 177.10 174.50 1u7k s PRO 28 N -2.14 0.96 0.85 -0.60 0.05 -1.26 -4.93 135.00 127.93 1u7k s PRO 28 Ca -0.07 0.87 -0.11 0.00 0.05 0.00 0.00 61.00 61.74 1u7k s PRO 28 Cb -0.06 -1.77 0.10 0.00 0.05 0.00 0.00 34.50 32.83 1u7k s PRO 28 CO -0.02 -2.46 1.10 -1.54 0.05 0.00 0.00 177.00 174.13 1u7k s SER 29 N -3.26 3.73 0.21 6.66 1.04 -1.26 -4.71 113.70 116.10 1u7k s SER 29 Ca 0.64 1.85 -0.10 0.00 0.48 0.00 0.00 55.95 58.83 1u7k s SER 29 Cb -0.19 -2.46 0.15 0.00 0.10 0.00 0.00 66.02 63.61 1u7k s SER 29 CO 0.58 -2.53 1.84 0.15 0.98 0.00 0.00 173.24 174.26 1u7k h PHE 30 N -1.47 1.01 -0.21 5.02 3.57 -1.83 -1.42 116.94 121.59 1u7k h PHE 30 Ca -0.45 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.96 1u7k h PHE 30 Cb 1.25 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1u7k h PHE 30 CO 0.52 0.69 -0.21 0.77 -2.23 0.00 0.00 178.31 177.85 1u7k h SER 31 N 1.03 0.37 0.60 0.41 0.02 -1.96 -1.60 113.55 112.42 1u7k h SER 31 Ca 0.27 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1u7k h SER 31 Cb -0.01 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.44 1u7k h SER 31 CO -0.05 0.60 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.62 1u7k h GLU 32 N 0.35 -0.77 -1.95 3.45 5.08 -1.78 -3.42 114.58 115.53 1u7k h GLU 32 Ca 0.06 0.05 -0.39 0.00 -1.00 0.00 0.00 59.36 58.08 1u7k h GLU 32 Cb 0.56 0.18 -0.31 0.00 0.50 0.00 0.00 28.75 29.68 1u7k h GLU 32 CO 0.04 -0.46 -0.72 0.34 -1.00 0.00 0.00 179.01 177.20 1u7k s ASP 33 N -4.61 1.02 0.37 1.42 -1.08 -0.59 -5.02 116.67 108.18 1u7k s ASP 33 Ca -0.15 -1.89 0.06 0.00 -0.52 0.00 0.00 52.55 50.05 1u7k s ASP 33 Cb 0.02 0.49 0.76 0.00 -1.46 0.00 0.00 42.92 42.73 1u7k s ASP 33 CO 0.52 -0.22 1.97 -0.65 0.52 0.00 0.00 175.17 177.30 1u7k h PRO 34 N 6.59 0.70 -0.76 4.34 0.11 -1.50 -2.66 132.00 138.82 1u7k h PRO 34 Ca 0.09 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.28 1u7k h PRO 34 Cb 1.03 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1u7k h PRO 34 CO 0.21 0.46 0.50 0.78 -0.21 0.00 0.00 178.00 179.74 1u7k h GLY 35 N 0.72 0.84 0.63 -0.55 0.00 -1.94 -1.30 103.07 101.47 1u7k h GLY 35 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1u7k h GLY 35 CO -0.09 0.10 -0.30 0.50 0.00 0.00 0.00 176.54 176.75 1u7k h LYS 36 N 0.54 -0.81 -0.24 4.80 1.79 -1.86 -0.89 116.57 119.89 1u7k h LYS 36 Ca 0.36 0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.82 1u7k h LYS 36 Cb 0.67 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1u7k h LYS 36 CO -0.13 -0.54 -0.17 -0.07 -1.08 0.00 0.00 179.45 177.46 1u7k h LEU 37 N -1.15 0.40 -0.25 2.94 3.38 -1.70 -1.46 115.31 117.46 1u7k h LEU 37 Ca -0.09 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1u7k h LEU 37 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1u7k h LEU 37 CO 0.14 0.59 0.15 0.74 0.09 0.00 0.00 178.44 180.15 1u7k h THR 38 N 0.38 1.04 -0.74 0.22 2.02 -1.24 0.17 112.91 114.75 1u7k h THR 38 Ca 0.07 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1u7k h THR 38 Cb 0.52 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1u7k h THR 38 CO 0.03 0.06 0.23 0.00 0.37 0.00 0.00 175.52 176.21 1u7k h ALA 39 N 1.11 1.00 -0.00 6.16 0.00 -0.83 -0.13 119.26 126.57 1u7k h ALA 39 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1u7k h ALA 39 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1u7k h ALA 39 CO -0.04 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.12 1u7k h LEU 40 N 1.10 0.00 -0.70 0.00 6.46 -0.82 -1.62 115.31 119.74 1u7k h LEU 40 Ca 0.24 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1u7k h LEU 40 Cb 0.31 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1u7k h LEU 40 CO -0.01 0.13 0.15 0.40 -0.62 0.00 0.00 178.44 178.50 1u7k h ILE 41 N -0.13 1.26 -0.71 4.05 2.04 -0.54 -0.67 117.51 122.81 1u7k h ILE 41 Ca 0.00 -0.99 0.11 0.00 1.00 0.00 0.00 64.86 64.98 1u7k h ILE 41 Cb 0.13 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 1u7k h ILE 41 CO -0.00 0.38 0.32 -0.08 0.00 0.00 0.00 178.15 178.77 1u7k h GLU 42 N 1.06 0.50 -0.17 2.37 4.81 -0.80 0.17 114.58 122.51 1u7k h GLU 42 Ca 0.22 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1u7k h GLU 42 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1u7k h GLU 42 CO 0.01 0.33 -0.02 1.03 -0.73 0.00 0.00 179.01 179.63 1u7k h SER 43 N 0.52 0.32 -0.83 1.04 0.87 -0.56 -3.06 113.55 111.84 1u7k h SER 43 Ca 0.37 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1u7k h SER 43 Cb 0.46 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1u7k h SER 43 CO -0.32 0.58 0.50 0.58 -0.53 0.00 0.00 176.83 177.64 1u7k h VAL 44 N 0.05 1.23 -0.58 2.23 2.07 -0.28 -0.94 116.25 120.04 1u7k h VAL 44 Ca 0.05 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.17 1u7k h VAL 44 Cb 0.43 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1u7k h VAL 44 CO 0.01 0.25 0.40 -0.07 0.02 0.00 0.00 177.57 178.18 1u7k h LEU 45 N 1.16 0.21 0.00 2.57 3.38 -0.61 0.60 115.31 122.62 1u7k h LEU 45 Ca 0.30 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.11 1u7k h LEU 45 Cb -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1u7k h LEU 45 CO -0.06 0.12 -0.92 0.74 0.09 0.00 0.00 178.44 178.41 1u7k h THR 46 N 0.23 1.16 -0.19 0.22 2.02 -1.23 -3.17 112.91 111.95 1u7k h THR 46 Ca 0.28 -2.23 -0.14 0.00 0.77 0.00 0.00 66.41 65.08 1u7k h THR 46 Cb 0.78 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1u7k h THR 46 CO -0.05 0.41 -0.48 0.71 0.37 0.00 0.00 175.52 176.47 1u7k h THR 47 N -0.97 1.32 -0.02 3.16 1.35 -1.02 -3.22 112.91 113.51 1u7k h THR 47 Ca -0.25 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1u7k h THR 47 Cb 1.24 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1u7k h THR 47 CO -0.14 0.53 -0.43 1.41 -0.25 0.00 0.00 175.52 176.64 1u7k n HIS 48 N -3.98 0.00 -4.00 4.73 8.25 0.18 -4.96 115.22 115.44 1u7k n HIS 48 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 1u7k n HIS 48 Cb 0.56 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.67 1u7k n HIS 48 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u7k n GLN 49 N 0.00 -0.41 -2.23 -0.41 6.02 -1.20 -1.46 117.38 117.70 1u7k n GLN 49 Ca 0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.73 1u7k n GLN 49 Cb 0.47 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1u7k n GLN 49 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1u7k s PRO 50 N -6.88 3.47 0.98 -1.09 0.04 -1.26 -2.68 135.00 127.59 1u7k s PRO 50 Ca 0.38 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1u7k s PRO 50 Cb -0.21 -2.15 0.21 0.00 0.04 0.00 0.00 34.50 32.39 1u7k s PRO 50 CO 0.80 -0.78 1.33 0.95 0.04 0.00 0.00 177.00 179.34 1u7k s THR 51 N -1.66 1.98 0.14 1.26 -4.23 -1.26 -4.80 115.64 107.07 1u7k s THR 51 Ca 0.70 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.03 1u7k s THR 51 Cb -0.27 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 1u7k s THR 51 CO 0.31 0.00 1.75 -0.25 -0.54 0.00 0.00 174.62 175.89 1u7k h TRP 52 N -1.73 0.17 -0.92 3.99 7.01 -1.96 -0.03 115.95 122.48 1u7k h TRP 52 Ca -0.44 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.58 1u7k h TRP 52 Cb 1.23 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 28.21 1u7k h TRP 52 CO -1.31 0.07 0.60 -0.44 -2.79 0.00 0.00 178.44 174.57 1u7k h ASP 53 N 0.22 1.07 -0.66 2.65 3.32 -1.98 -1.83 116.42 119.20 1u7k h ASP 53 Ca 0.13 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1u7k h ASP 53 Cb 0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1u7k h ASP 53 CO -0.14 0.79 0.42 0.44 -1.72 0.00 0.00 179.24 179.03 1u7k h ASP 54 N 1.25 0.77 -0.26 6.45 3.32 -1.78 -1.45 116.42 124.73 1u7k h ASP 54 Ca 0.34 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1u7k h ASP 54 Cb -0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1u7k h ASP 54 CO -0.07 0.57 0.16 0.00 -1.72 0.00 0.00 179.24 178.18 1u7k h GLN 56 N 0.37 0.48 -0.23 0.00 1.08 -0.50 -0.86 115.11 115.45 1u7k h GLN 56 Ca 0.10 -0.22 -0.14 0.00 -1.45 0.00 0.00 58.65 56.94 1u7k h GLN 56 Cb -0.01 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1u7k h GLN 56 CO -0.02 0.76 -0.44 1.96 -0.95 0.00 0.00 178.83 180.14 1u7k h GLN 57 N 0.41 0.57 0.09 1.46 4.20 -0.80 0.27 115.11 121.32 1u7k h GLN 57 Ca 0.05 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1u7k h GLN 57 Cb 0.79 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1u7k h GLN 57 CO 0.06 0.90 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.01 1u7k h LEU 58 N 0.46 -0.11 -0.24 1.46 3.38 -0.97 -1.39 115.31 117.91 1u7k h LEU 58 Ca 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1u7k h LEU 58 Cb 0.95 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1u7k h LEU 58 CO 0.09 0.12 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 1u7k h LEU 59 N -0.34 0.42 -1.69 1.67 3.38 -1.10 -1.26 115.31 116.39 1u7k h LEU 59 Ca -0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1u7k h LEU 59 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u7k h LEU 59 CO 0.02 0.62 -0.18 1.23 0.09 0.00 0.00 178.44 180.22 1u7k h GLY 60 N 0.20 0.00 0.74 0.83 0.00 -0.48 -1.09 103.07 103.27 1u7k h GLY 60 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 1u7k h GLY 60 CO 0.01 0.00 -1.90 -0.84 0.00 0.00 0.00 176.54 173.81 1u7k h THR 61 N 0.00 0.71 0.00 4.70 2.02 -1.16 -3.40 112.91 115.78 1u7k h THR 61 Ca -0.00 -2.46 -0.00 0.00 0.77 0.00 0.00 66.41 64.72 1u7k h THR 61 Cb 0.44 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1u7k h THR 61 CO 0.02 0.79 -1.25 0.18 0.37 0.00 0.00 175.52 175.64 1u7k n LEU 62 N -3.37 0.65 -4.52 2.58 4.77 -0.48 -4.91 117.00 111.71 1u7k n LEU 62 Ca -0.27 0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 1u7k n LEU 62 Cb 1.05 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 1u7k n LEU 62 CO 0.44 -0.14 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.15 1u7k s LEU 63 N -5.17 2.77 0.83 2.23 1.43 -0.42 -4.69 118.68 115.67 1u7k s LEU 63 Ca -0.02 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 1u7k s LEU 63 Cb 0.11 -1.42 0.09 0.00 0.03 0.00 0.00 46.19 45.00 1u7k s LEU 63 CO 0.82 0.09 1.15 0.42 0.23 0.00 0.00 176.35 179.05 1u7k s THR 64 N -1.90 2.26 0.23 5.49 -4.23 -1.26 -4.70 115.64 111.52 1u7k s THR 64 Ca 0.25 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1u7k s THR 64 Cb -0.08 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 70.97 1u7k s THR 64 CO 0.14 -0.11 1.78 1.23 -0.54 0.00 0.00 174.62 177.12 1u7k h GLY 65 N -1.18 1.06 0.97 3.99 0.00 -1.94 0.54 103.07 106.51 1u7k h GLY 65 Ca -0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1u7k h GLY 65 CO 0.64 0.05 0.08 0.83 0.00 0.00 0.00 176.54 178.14 1u7k h GLU 66 N 0.59 0.77 -0.23 4.80 3.07 -1.99 -1.13 114.58 120.45 1u7k h GLU 66 Ca 0.35 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1u7k h GLU 66 Cb 0.37 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1u7k h GLU 66 CO -0.27 0.78 0.08 0.93 -1.40 0.00 0.00 179.01 179.12 1u7k h GLU 67 N 0.63 0.36 0.08 2.33 5.08 -1.82 -1.97 114.58 119.27 1u7k h GLU 67 Ca 0.14 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1u7k h GLU 67 Cb 0.38 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1u7k h GLU 67 CO 0.01 0.43 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.10 1u7k h LYS 68 N 0.21 -0.25 -0.88 2.33 3.64 -0.79 0.36 116.57 121.18 1u7k h LYS 68 Ca 0.08 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1u7k h LYS 68 Cb 0.22 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 1u7k h LYS 68 CO -0.00 -0.17 0.49 1.96 -2.27 0.00 0.00 179.45 179.46 1u7k h GLN 69 N -0.26 0.71 -0.69 1.90 1.08 -1.14 0.10 115.11 116.81 1u7k h GLN 69 Ca 0.02 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1u7k h GLN 69 Cb 0.28 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1u7k h GLN 69 CO -0.07 0.47 0.14 -0.09 -0.95 0.00 0.00 178.83 178.33 1u7k h ARG 70 N 0.74 1.12 -0.31 1.46 2.43 -0.89 -0.25 114.38 118.66 1u7k h ARG 70 Ca 0.46 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1u7k h ARG 70 Cb 0.58 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1u7k h ARG 70 CO -0.32 1.01 0.05 0.28 -1.51 0.00 0.00 179.97 179.48 1u7k h VAL 71 N 1.05 1.23 -0.61 0.20 2.07 0.78 -1.59 116.25 119.38 1u7k h VAL 71 Ca 0.21 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1u7k h VAL 71 Cb 0.41 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1u7k h VAL 71 CO 0.01 0.27 0.11 -0.07 0.02 0.00 0.00 177.57 177.91 1u7k h LEU 72 N 0.34 0.94 -0.38 2.57 3.38 -0.65 0.13 115.31 121.64 1u7k h LEU 72 Ca 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1u7k h LEU 72 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1u7k h LEU 72 CO 0.01 0.93 0.22 -0.07 0.09 0.00 0.00 178.44 179.61 1u7k h LEU 73 N 0.93 0.46 -0.59 1.67 3.38 -0.87 -1.68 115.31 118.62 1u7k h LEU 73 Ca 0.19 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1u7k h LEU 73 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1u7k h LEU 73 CO 0.01 0.40 -0.09 -0.33 0.09 0.00 0.00 178.44 178.52 1u7k h GLU 74 N 0.49 1.03 -0.64 1.13 4.39 -0.89 -1.47 114.58 118.63 1u7k h GLU 74 Ca 0.14 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.49 1u7k h GLU 74 Cb 0.03 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1u7k h GLU 74 CO -0.02 1.06 0.39 0.00 -1.16 0.00 0.00 179.01 179.28 1u7k h ALA 75 N 0.96 0.83 -0.06 3.43 0.00 -0.80 -2.16 119.26 121.47 1u7k h ALA 75 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1u7k h ALA 75 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u7k h ALA 75 CO 0.04 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 179.00 1u7k h ARG 76 N 0.77 0.14 0.00 0.00 3.08 -1.07 -2.01 114.38 115.29 1u7k h ARG 76 Ca 0.26 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1u7k h ARG 76 Cb 0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1u7k h ARG 76 CO -0.11 0.55 -0.03 0.87 -1.07 0.00 0.00 179.97 180.18 1u7k h LYS 77 N 0.12 0.00 -0.20 0.04 1.57 -0.77 -3.11 116.57 114.21 1u7k h LYS 77 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1u7k h LYS 77 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1u7k h LYS 77 CO 0.06 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 1u7k n ALA 78 N -2.12 2.49 -1.77 3.86 0.00 -0.76 -4.92 120.51 117.29 1u7k n ALA 78 Ca -0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.38 1u7k n ALA 78 Cb 0.28 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1u7k n ALA 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u7k s VAL 79 N -1.74 2.58 0.06 0.00 1.01 -1.18 -4.94 120.40 116.20 1u7k s VAL 79 Ca 0.34 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.97 1u7k s VAL 79 Cb 0.19 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1u7k s VAL 79 CO 0.28 0.12 -0.20 -0.13 0.00 0.00 0.00 175.10 175.18 1u7k s ARG 80 N -1.99 1.93 0.00 2.72 0.52 -1.26 -1.56 118.95 119.31 1u7k s ARG 80 Ca 0.52 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1u7k s ARG 80 Cb -0.40 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1u7k s ARG 80 CO 0.53 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.78 1u7k n GLY 81 N 1.38 -0.61 0.24 -3.53 0.00 0.13 -4.80 105.19 98.00 1u7k n GLY 81 Ca -0.16 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1u7k n GLY 81 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u7k h ASN 82 N 0.00 0.00 0.02 1.61 2.35 -1.99 -1.86 115.58 115.71 1u7k h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u7k h ASN 82 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1u7k h ASN 82 CO 0.00 0.15 -0.00 -0.90 -1.65 0.00 0.00 177.43 175.03 1u7k n ASP 83 N -4.15 0.17 0.00 5.81 5.75 -1.26 -4.87 116.55 118.00 1u7k n ASP 83 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1u7k n ASP 83 Cb 0.23 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1u7k n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u7k n GLY 84 N 1.03 0.72 3.93 6.12 0.00 -0.70 -5.02 105.19 111.27 1u7k n GLY 84 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1u7k n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u7k s ARG 85 N -0.13 3.33 0.53 1.61 0.52 -1.26 -4.77 118.95 118.78 1u7k s ARG 85 Ca 0.00 -0.77 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 1u7k s ARG 85 Cb 0.00 -2.85 -0.06 0.00 0.52 0.00 0.00 34.95 32.56 1u7k s ARG 85 CO 0.00 0.45 1.18 -2.30 0.02 0.00 0.00 175.30 174.65 1u7k n PRO 86 N -1.09 1.43 -3.88 3.54 -0.02 -1.26 0.21 135.00 133.93 1u7k n PRO 86 Ca -0.08 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1u7k n PRO 86 Cb 0.56 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 1u7k n PRO 86 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1u7k s THR 87 N -1.34 0.07 -0.08 3.45 -1.32 -0.60 -4.58 115.64 111.24 1u7k s THR 87 Ca 0.70 -0.60 0.12 0.00 -1.21 0.00 0.00 61.69 60.70 1u7k s THR 87 Cb -0.45 -0.37 0.18 0.00 -1.51 0.00 0.00 72.50 70.35 1u7k s THR 87 CO 0.51 -0.33 1.09 0.00 -2.21 0.00 0.00 174.62 173.68 1u7k n GLN 88 N 1.74 0.89 -2.03 7.08 1.13 -1.26 -4.53 117.38 120.39 1u7k n GLN 88 Ca -0.21 -2.01 -0.42 0.00 -1.94 0.00 0.00 57.00 52.42 1u7k n GLN 88 Cb 0.56 -1.15 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 1u7k n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u7k s LEU 89 N -1.85 4.36 0.23 1.08 1.43 -1.26 -4.86 118.68 117.81 1u7k s LEU 89 Ca 0.20 2.42 -0.08 0.00 -1.03 0.00 0.00 54.13 55.64 1u7k s LEU 89 Cb 0.18 -3.57 0.38 0.00 0.03 0.00 0.00 46.19 43.20 1u7k s LEU 89 CO 0.02 -0.80 1.67 -0.65 0.23 0.00 0.00 176.35 176.82 1u7k h PRO 90 N 7.59 0.17 -0.37 1.29 0.11 -1.99 -0.38 132.00 138.42 1u7k h PRO 90 Ca -0.42 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 1u7k h PRO 90 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1u7k h PRO 90 CO 0.91 0.11 0.03 -2.95 -0.21 0.00 0.00 178.00 175.89 1u7k h ASN 91 N 0.17 0.54 0.16 -2.05 7.08 -1.99 0.53 115.58 120.02 1u7k h ASN 91 Ca 0.37 -0.10 -0.25 0.00 -3.08 0.00 0.00 56.30 53.24 1u7k h ASN 91 Cb 0.62 -0.14 0.01 0.00 -2.08 0.00 0.00 38.32 36.74 1u7k h ASN 91 CO -0.54 0.59 -1.03 -0.33 -2.08 0.00 0.00 177.43 174.04 1u7k h GLU 92 N 0.55 0.57 -0.24 4.14 5.08 -1.64 -2.16 114.58 120.88 1u7k h GLU 92 Ca 0.12 -0.63 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1u7k h GLU 92 Cb 0.31 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u7k h GLU 92 CO 0.01 1.24 0.01 0.28 -1.00 0.00 0.00 179.01 179.55 1u7k h VAL 93 N 0.31 1.25 -0.05 3.13 2.07 -0.76 -2.33 116.25 119.87 1u7k h VAL 93 Ca -0.12 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1u7k h VAL 93 Cb 1.68 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1u7k h VAL 93 CO 0.19 0.27 -0.24 0.44 0.02 0.00 0.00 177.57 178.25 1u7k h ASP 94 N 0.20 0.07 0.23 0.57 3.32 -0.96 -0.13 116.42 119.73 1u7k h ASP 94 Ca 0.07 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 1u7k h ASP 94 Cb 0.39 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1u7k h ASP 94 CO 0.01 0.32 -0.85 0.00 -1.72 0.00 0.00 179.24 177.00 1u7k h ALA 95 N 1.69 0.43 0.21 3.45 0.00 -1.23 -2.87 119.26 120.94 1u7k h ALA 95 Ca 0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 54.91 53.97 1u7k h ALA 95 Cb 0.47 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1u7k h ALA 95 CO 0.03 0.77 -1.35 0.00 0.00 0.00 0.00 179.25 178.70 1u7k h ALA 96 N 0.78 -0.07 -2.07 0.00 0.00 -1.25 -3.41 119.26 113.23 1u7k h ALA 96 Ca -0.06 -0.88 -0.57 0.00 0.00 0.00 0.00 54.91 53.40 1u7k h ALA 96 Cb 1.46 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 1u7k h ALA 96 CO 0.15 0.67 -0.98 0.34 0.00 0.00 0.00 179.25 179.43 1u7k n PHE 97 N -3.82 0.53 -2.12 0.00 7.35 -0.07 -4.36 117.46 114.97 1u7k n PHE 97 Ca -0.18 -3.69 -0.40 0.00 -0.76 0.00 0.00 57.45 52.43 1u7k n PHE 97 Cb 1.02 -0.37 -0.01 0.00 0.35 0.00 0.00 39.48 40.46 1u7k n PHE 97 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1u7k s PRO 98 N -1.41 4.10 0.15 -7.13 0.04 -1.08 -4.66 135.00 125.01 1u7k s PRO 98 Ca 0.36 2.12 0.23 0.00 0.04 0.00 0.00 61.00 63.75 1u7k s PRO 98 Cb 0.16 -2.84 0.13 0.00 0.04 0.00 0.00 34.50 31.99 1u7k s PRO 98 CO -0.09 -0.37 1.14 1.28 0.04 0.00 0.00 177.00 179.00 1u7k n LEU 99 N 0.33 0.76 -4.70 -3.56 4.77 -1.26 -4.87 117.00 108.47 1u7k n LEU 99 Ca 0.03 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 1u7k n LEU 99 Cb 0.44 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1u7k n LEU 99 CO 0.56 -0.11 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.62 1u7k s GLU 100 N -3.27 2.48 0.09 3.23 2.02 -1.26 -5.06 118.70 116.94 1u7k s GLU 100 Ca 0.02 -1.28 -0.31 0.00 0.02 0.00 0.00 54.97 53.43 1u7k s GLU 100 Cb 0.12 -2.30 -0.11 0.00 0.10 0.00 0.00 34.13 31.94 1u7k s GLU 100 CO 0.77 0.39 1.86 -2.13 0.02 0.00 0.00 175.26 176.16 1u7k n ARG 101 N -0.87 2.74 -2.42 1.61 0.63 -1.26 -4.97 116.66 112.11 1u7k n ARG 101 Ca -0.07 1.00 -0.24 0.00 -0.92 0.00 0.00 57.85 57.61 1u7k n ARG 101 Cb 0.58 -2.90 0.05 0.00 0.45 0.00 0.00 32.46 30.64 1u7k n ARG 101 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1u7k s PRO 102 N 3.12 2.52 -1.07 -0.14 0.04 -1.26 -5.01 135.00 133.19 1u7k s PRO 102 Ca 0.84 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 1u7k s PRO 102 Cb -0.50 -2.31 0.31 0.00 0.04 0.00 0.00 34.50 32.04 1u7k s PRO 102 CO 0.39 -0.90 1.62 -0.40 0.04 0.00 0.00 177.00 177.75 1u7k n ASP 103 N -2.63 6.74 -4.51 6.66 5.75 -1.26 -4.99 116.55 122.31 1u7k n ASP 103 Ca 0.07 -3.50 -0.41 0.00 -0.01 0.00 0.00 54.79 50.94 1u7k n ASP 103 Cb 0.59 -1.24 -0.10 0.00 -1.03 0.00 0.00 41.12 39.34 1u7k n ASP 103 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1u7k s TRP 104 N -3.23 3.23 -0.46 2.11 0.51 -1.26 -4.98 118.94 114.86 1u7k s TRP 104 Ca 0.34 -0.28 -0.23 0.00 -2.12 0.00 0.00 56.10 53.81 1u7k s TRP 104 Cb 0.10 -2.55 0.03 0.00 -0.81 0.00 0.00 33.47 30.23 1u7k s TRP 104 CO 0.03 -0.44 0.80 0.34 -0.51 0.00 0.00 176.95 177.16 1u7k s ASP 105 N 1.72 6.41 0.00 2.95 -1.08 -1.26 -4.92 116.67 120.49 1u7k s ASP 105 Ca 0.07 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.14 1u7k s ASP 105 Cb -0.18 -2.39 0.90 0.00 -1.46 0.00 0.00 42.92 39.79 1u7k s ASP 105 CO 0.11 -0.94 1.39 0.00 0.52 0.00 0.00 175.17 176.25 1u7k n TYR 106 N 6.78 0.00 1.14 -5.34 0.18 -1.26 -1.39 117.16 117.26 1u7k n TYR 106 Ca 0.02 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.92 1u7k n TYR 106 Cb 0.48 -0.10 0.36 0.00 -0.38 0.00 0.00 39.34 39.71 1u7k n TYR 106 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1u7k n THR 107 N -1.10 0.20 -4.35 -3.48 -2.24 -1.26 -4.63 114.28 97.42 1u7k n THR 107 Ca 0.10 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1u7k n THR 107 Cb 0.08 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1u7k n THR 107 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u7k s THR 108 N -1.80 2.64 0.17 4.28 -4.23 -0.49 -5.03 115.64 111.19 1u7k s THR 108 Ca 0.34 -1.72 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 1u7k s THR 108 Cb 0.19 -2.24 0.06 0.00 1.34 0.00 0.00 72.50 71.86 1u7k s THR 108 CO 0.29 0.01 1.81 -0.61 -0.54 0.00 0.00 174.62 175.57 1u7k h GLN 109 N 3.49 0.56 -0.58 3.99 4.15 -1.91 -1.20 115.11 123.60 1u7k h GLN 109 Ca -0.49 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 1u7k h GLN 109 Cb 1.18 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 1u7k h GLN 109 CO 0.46 0.37 0.32 0.00 -1.93 0.00 0.00 178.83 178.05 1u7k h ARG 110 N 0.57 0.81 -0.21 1.69 3.08 -1.96 -0.25 114.38 118.12 1u7k h ARG 110 Ca 0.21 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1u7k h ARG 110 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1u7k h ARG 110 CO -0.10 0.62 0.03 0.78 -1.07 0.00 0.00 179.97 180.22 1u7k h GLY 111 N 0.79 0.37 0.78 0.04 0.00 -1.61 -1.11 103.07 102.33 1u7k h GLY 111 Ca 0.21 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1u7k h GLY 111 CO -0.03 0.23 0.34 3.21 0.00 0.00 0.00 176.54 180.29 1u7k h ARG 112 N 0.13 0.64 -0.52 4.80 3.08 -1.09 -0.89 114.38 120.53 1u7k h ARG 112 Ca 0.06 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1u7k h ARG 112 Cb 0.33 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1u7k h ARG 112 CO 0.01 0.42 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.37 1u7k h ASN 113 N 0.66 0.89 -0.77 7.04 2.35 -0.95 -0.38 115.58 124.42 1u7k h ASN 113 Ca 0.25 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1u7k h ASN 113 Cb 0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1u7k h ASN 113 CO -0.14 0.98 0.45 0.45 -1.65 0.00 0.00 177.43 177.52 1u7k h HIS 114 N 0.83 1.03 -0.33 1.19 3.86 -0.76 -1.08 115.15 119.90 1u7k h HIS 114 Ca 0.15 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1u7k h HIS 114 Cb 0.56 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1u7k h HIS 114 CO 0.03 0.71 0.11 -0.07 0.86 0.00 0.00 177.93 179.57 1u7k h LEU 115 N 1.06 0.48 -0.61 2.43 3.38 -0.64 0.11 115.31 121.52 1u7k h LEU 115 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u7k h LEU 115 Cb -0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1u7k h LEU 115 CO -0.05 0.55 0.38 0.58 0.09 0.00 0.00 178.44 179.99 1u7k h VAL 116 N 0.38 1.17 -0.41 1.22 2.07 -0.89 -1.26 116.25 118.53 1u7k h VAL 116 Ca 0.11 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1u7k h VAL 116 Cb 0.24 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1u7k h VAL 116 CO -0.00 0.17 0.18 0.25 0.02 0.00 0.00 177.57 178.19 1u7k h LEU 117 N 0.83 0.56 -0.20 2.57 5.85 -1.03 -1.28 115.31 122.61 1u7k h LEU 117 Ca 0.22 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1u7k h LEU 117 Cb -0.05 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1u7k h LEU 117 CO -0.04 0.55 -0.07 0.22 -0.34 0.00 0.00 178.44 178.76 1u7k h TYR 118 N 0.52 -0.16 -0.90 1.25 3.20 -0.48 0.29 116.97 120.68 1u7k h TYR 118 Ca 0.14 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1u7k h TYR 118 Cb 0.16 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1u7k h TYR 118 CO -0.00 -0.12 0.60 0.00 -1.64 0.00 0.00 178.16 177.00 1u7k h ARG 119 N -0.03 1.19 -0.58 1.82 3.08 -1.09 0.96 114.38 119.72 1u7k h ARG 119 Ca 0.10 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1u7k h ARG 119 Cb 0.19 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1u7k h ARG 119 CO -0.23 0.79 0.28 1.96 -1.07 0.00 0.00 179.97 181.70 1u7k h GLN 120 N 1.22 0.83 -0.22 0.04 4.20 -0.62 -1.82 115.11 118.74 1u7k h GLN 120 Ca 0.33 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 1u7k h GLN 120 Cb -0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1u7k h GLN 120 CO -0.07 0.67 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.36 1u7k h LEU 121 N 0.78 0.48 -0.56 1.46 3.38 -0.61 -1.45 115.31 118.80 1u7k h LEU 121 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1u7k h LEU 121 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1u7k h LEU 121 CO -0.03 0.79 0.31 0.25 0.09 0.00 0.00 178.44 179.85 1u7k h LEU 122 N 0.40 0.69 -0.68 1.67 6.46 -0.49 0.15 115.31 123.51 1u7k h LEU 122 Ca 0.05 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 1u7k h LEU 122 Cb 0.77 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1u7k h LEU 122 CO 0.06 0.57 0.16 0.25 -0.62 0.00 0.00 178.44 178.87 1u7k h LEU 123 N 0.75 1.03 -0.63 2.25 5.85 -1.09 -2.65 115.31 120.82 1u7k h LEU 123 Ca 0.20 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1u7k h LEU 123 Cb 0.03 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1u7k h LEU 123 CO -0.03 1.00 0.22 0.00 -0.34 0.00 0.00 178.44 179.28 1u7k h ALA 124 N 1.07 0.82 0.00 1.25 0.00 -0.88 -1.04 119.26 120.48 1u7k h ALA 124 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u7k h ALA 124 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u7k h ALA 124 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1u7k n GLY 125 N -0.77 0.00 1.03 0.00 0.00 0.48 -0.66 105.19 105.27 1u7k n GLY 125 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1u7k n GLY 125 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u7k n GLN 127 N 0.57 0.00 -0.06 1.61 6.02 -0.39 -0.40 117.38 124.72 1u7k n GLN 127 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1u7k n GLN 127 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 1u7k n GLN 127 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1u7k h ASN 128 N 0.00 0.73 -0.26 1.08 2.35 -1.15 -2.19 115.58 116.13 1u7k h ASN 128 Ca 0.00 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 1u7k h ASN 128 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1u7k h ASN 128 CO 0.00 0.97 -0.17 0.00 -1.65 0.00 0.00 177.43 176.58 1u7k h ALA 129 N 1.07 0.99 -0.44 -0.83 0.00 -0.96 -2.79 119.26 116.29 1u7k h ALA 129 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u7k h ALA 129 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1u7k h ALA 129 CO 0.07 0.60 0.29 0.78 0.00 0.00 0.00 179.25 180.99 1u7k h GLY 130 N 0.98 0.63 1.00 0.00 0.00 -1.73 -3.50 103.07 100.45 1u7k h GLY 130 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1u7k h GLY 130 CO 0.05 0.23 0.00 0.54 0.00 0.00 0.00 176.54 177.36