#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 2.13 0.00 2.45 1.43 -0.51 -2.11 118.68 122.07 1u7k s LEU 2 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1u7k s LEU 2 Cb 0.00 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1u7k s LEU 2 CO 0.00 0.16 0.00 -2.11 0.23 0.00 0.00 176.35 174.63 1u7k n ARG 3 N 2.09 0.00 -2.77 1.70 1.85 -0.55 -4.30 116.66 114.68 1u7k n ARG 3 Ca -0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.61 1u7k n ARG 3 Cb 0.54 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.92 1u7k n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u7k n GLY 5 N 0.00 3.17 0.31 2.89 0.00 0.34 0.03 105.19 111.93 1u7k n GLY 5 Ca 0.00 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1u7k n GLY 5 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u7k h GLY 6 N 0.84 0.40 -3.68 -0.02 0.00 -2.01 -2.36 103.07 96.24 1u7k h GLY 6 Ca -0.11 -0.14 -0.44 0.00 0.00 0.00 0.00 47.33 46.65 1u7k h GLY 6 CO 0.15 0.12 0.56 1.16 0.00 0.00 0.00 176.54 178.53 1u7k n ASN 7 N -4.49 3.63 -2.50 0.19 6.94 -1.26 -4.88 115.26 112.90 1u7k n ASN 7 Ca 0.03 -3.35 -0.20 0.00 -0.02 0.00 0.00 54.58 51.03 1u7k n ASN 7 Cb 0.16 -0.79 -0.00 0.00 -2.36 0.00 0.00 39.78 36.79 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 -0.89 -0.50 3.24 4.83 0.00 -0.89 -4.98 105.19 106.00 1u7k n GLY 8 Ca 0.50 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.15 1.71 0.26 1.61 0.74 -1.26 -4.87 119.66 112.71 1u7k s GLN 9 Ca 0.05 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.35 1u7k s GLN 9 Cb -0.02 -1.68 -0.10 0.00 1.10 0.00 0.00 33.01 32.31 1u7k s GLN 9 CO 0.06 0.46 1.37 -0.51 -0.55 0.00 0.00 175.29 176.12 1u7k s LEU 10 N -0.61 4.40 0.06 3.68 1.02 -1.26 0.13 118.68 126.10 1u7k s LEU 10 Ca 0.08 2.61 0.09 0.00 0.02 0.00 0.00 54.13 56.93 1u7k s LEU 10 Cb -0.08 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.47 1u7k s LEU 10 CO -0.00 -0.61 -0.23 -1.58 0.02 0.00 0.00 176.35 173.94 1u7k s GLN 11 N -0.72 1.50 -0.02 1.70 0.74 0.10 -4.81 119.66 118.16 1u7k s GLN 11 Ca 0.56 -1.07 0.05 0.00 0.05 0.00 0.00 55.36 54.94 1u7k s GLN 11 Cb -0.40 -1.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.98 1u7k s GLN 11 CO 0.45 0.43 -0.15 -0.47 -0.55 0.00 0.00 175.29 175.00 1u7k s TYR 12 N -0.87 2.68 -0.09 1.67 5.04 -1.26 -1.48 117.35 123.03 1u7k s TYR 12 Ca 0.10 -0.18 -0.08 0.00 -2.44 0.00 0.00 57.07 54.46 1u7k s TYR 12 Cb -0.09 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.66 1u7k s TYR 12 CO 0.03 0.22 0.24 1.67 -1.34 0.00 0.00 175.55 176.37 1u7k s TRP 13 N -0.81 -0.27 0.62 4.97 -2.14 -0.90 -5.01 118.94 115.40 1u7k s TRP 13 Ca 0.13 0.66 -0.16 0.00 2.66 0.00 0.00 56.10 59.38 1u7k s TRP 13 Cb -0.11 0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.33 1u7k s TRP 13 CO 0.03 -0.13 1.11 -1.25 -2.66 0.00 0.00 176.95 174.05 1u7k s PRO 14 N 0.15 3.00 0.33 3.25 0.05 -1.26 -0.56 135.00 139.96 1u7k s PRO 14 Ca -0.00 1.46 -0.27 0.00 0.05 0.00 0.00 61.00 62.23 1u7k s PRO 14 Cb -0.02 -1.97 -0.13 0.00 0.05 0.00 0.00 34.50 32.43 1u7k s PRO 14 CO 0.00 -1.10 1.11 1.19 0.05 0.00 0.00 177.00 178.26 1u7k n PHE 15 N -2.03 1.63 -2.62 0.56 0.99 -1.26 -4.76 117.46 109.97 1u7k n PHE 15 Ca 0.11 0.63 -0.41 0.00 -0.00 0.00 0.00 57.45 57.77 1u7k n PHE 15 Cb 0.52 -2.31 -0.04 0.00 -1.00 0.00 0.00 39.48 36.65 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 -0.49 7.37 0.50 4.37 0.15 -1.26 -4.93 113.70 119.40 1u7k s SER 16 Ca 0.58 1.92 0.15 0.00 0.70 0.00 0.00 55.95 59.30 1u7k s SER 16 Cb -0.63 -2.59 1.21 0.00 -1.71 0.00 0.00 66.02 62.29 1u7k s SER 16 CO 0.60 -0.17 2.13 0.77 1.20 0.00 0.00 173.24 177.77 1u7k h SER 17 N 5.57 0.08 -0.85 5.45 4.64 -2.00 -1.94 113.55 124.50 1u7k h SER 17 Ca -0.43 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1u7k h SER 17 Cb 1.21 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1u7k h SER 17 CO 0.73 0.06 0.50 0.28 -0.87 0.00 0.00 176.83 177.52 1u7k h SER 18 N 0.09 1.04 0.02 4.97 0.02 -1.98 0.80 113.55 118.51 1u7k h SER 18 Ca 0.04 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1u7k h SER 18 Cb 0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1u7k h SER 18 CO -0.01 0.81 -0.01 0.44 -1.14 0.00 0.00 176.83 176.93 1u7k h ASP 19 N 1.17 -0.03 -0.35 3.07 3.32 -1.76 0.77 116.42 122.61 1u7k h ASP 19 Ca 0.30 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1u7k h ASP 19 Cb -0.02 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1u7k h ASP 19 CO -0.05 0.20 0.23 -0.07 -1.72 0.00 0.00 179.24 177.82 1u7k h LEU 20 N -0.25 0.41 -0.79 1.55 3.38 -1.14 0.50 115.31 118.97 1u7k h LEU 20 Ca -0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1u7k h LEU 20 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1u7k h LEU 20 CO 0.01 0.30 -0.53 1.88 0.09 0.00 0.00 178.44 180.19 1u7k h TYR 21 N 0.48 0.24 -0.52 1.13 0.99 -0.86 -1.48 116.97 116.95 1u7k h TYR 21 Ca 0.13 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1u7k h TYR 21 Cb -0.05 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 37.61 1u7k h TYR 21 CO -0.05 0.68 0.27 -0.91 -0.00 0.00 0.00 178.16 178.16 1u7k h ASN 22 N 0.15 0.66 -0.59 3.88 2.35 -0.44 0.14 115.58 121.73 1u7k h ASN 22 Ca 0.00 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1u7k h ASN 22 Cb 0.99 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 1u7k h ASN 22 CO 0.08 0.58 0.33 -0.50 -1.65 0.00 0.00 177.43 176.27 1u7k h TRP 23 N 0.69 0.80 -0.20 1.19 6.55 -0.70 -1.64 115.95 122.64 1u7k h TRP 23 Ca 0.18 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 1u7k h TRP 23 Cb 0.07 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 1u7k h TRP 23 CO -0.01 0.57 0.09 -0.22 -1.05 0.00 0.00 178.44 177.82 1u7k h LYS 24 N 0.80 0.30 0.00 0.49 3.64 -0.91 -3.18 116.57 117.71 1u7k h LYS 24 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1u7k h LYS 24 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1u7k h LYS 24 CO -0.04 0.35 0.00 -0.91 -2.27 0.00 0.00 179.45 176.59 1u7k h ASN 25 N 0.19 0.00 -0.70 4.20 2.35 -0.52 -3.13 115.58 117.97 1u7k h ASN 25 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1u7k h ASN 25 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1u7k h ASN 25 CO -0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.36 1u7k n ASN 26 N -2.81 3.97 -4.03 5.81 3.02 -0.63 -4.95 115.26 115.63 1u7k n ASN 26 Ca 0.02 -2.05 -0.10 0.00 -0.03 0.00 0.00 54.58 52.43 1u7k n ASN 26 Cb 0.36 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.00 0.48 0.88 6.41 0.01 -1.18 -5.07 114.94 115.48 1u7k s ASN 27 Ca 0.47 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.86 1u7k s ASN 27 Cb 0.25 0.11 0.12 0.00 0.41 0.00 0.00 41.25 42.14 1u7k s ASN 27 CO 0.31 -0.35 1.10 -2.16 -1.51 0.00 0.00 177.10 174.49 1u7k s PRO 28 N -2.16 1.36 0.90 -0.60 0.04 -1.26 -4.92 135.00 128.35 1u7k s PRO 28 Ca -0.08 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.43 1u7k s PRO 28 Cb -0.05 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1u7k s PRO 28 CO -0.03 -2.11 1.11 -1.54 0.04 0.00 0.00 177.00 174.47 1u7k s SER 29 N -3.73 3.24 0.17 6.66 1.04 -1.26 -4.68 113.70 115.14 1u7k s SER 29 Ca 0.63 1.89 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 1u7k s SER 29 Cb -0.16 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.57 1u7k s SER 29 CO 0.55 -2.85 1.67 0.15 0.98 0.00 0.00 173.24 173.74 1u7k h PHE 30 N -1.69 1.01 -0.52 5.02 3.57 -1.83 -1.74 116.94 120.77 1u7k h PHE 30 Ca -0.46 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 60.87 1u7k h PHE 30 Cb 1.27 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1u7k h PHE 30 CO 0.48 0.87 0.21 0.77 -2.23 0.00 0.00 178.31 178.41 1u7k h SER 31 N 0.86 0.71 -0.42 0.41 0.02 -1.96 -1.39 113.55 111.78 1u7k h SER 31 Ca 0.18 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1u7k h SER 31 Cb 0.39 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1u7k h SER 31 CO 0.01 0.69 0.16 -0.33 -1.14 0.00 0.00 176.83 176.22 1u7k h GLU 32 N 0.69 0.33 -0.86 3.45 5.08 -1.87 -3.41 114.58 118.00 1u7k h GLU 32 Ca 0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1u7k h GLU 32 Cb 0.20 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 29.19 1u7k h GLU 32 CO -0.01 0.22 -0.39 0.34 -1.00 0.00 0.00 179.01 178.16 1u7k s ASP 33 N -5.39 -1.32 0.46 1.42 -1.08 -0.67 -4.99 116.67 105.09 1u7k s ASP 33 Ca -0.13 -0.69 0.16 0.00 -0.52 0.00 0.00 52.55 51.37 1u7k s ASP 33 Cb 0.13 1.69 1.05 0.00 -1.46 0.00 0.00 42.92 44.33 1u7k s ASP 33 CO 0.72 -0.14 2.01 -0.65 0.52 0.00 0.00 175.17 177.62 1u7k h PRO 34 N 6.67 0.00 -0.51 4.34 0.11 -1.44 -3.05 132.00 138.12 1u7k h PRO 34 Ca 0.03 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.17 1u7k h PRO 34 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1u7k h PRO 34 CO 0.07 0.17 0.34 0.78 -0.21 0.00 0.00 178.00 179.15 1u7k h GLY 35 N 0.54 0.68 0.51 -0.55 0.00 -1.93 -0.89 103.07 101.43 1u7k h GLY 35 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1u7k h GLY 35 CO 0.02 0.22 -0.15 0.50 0.00 0.00 0.00 176.54 177.13 1u7k h LYS 36 N 0.61 -0.39 -0.12 4.80 1.79 -1.91 -1.21 116.57 120.13 1u7k h LYS 36 Ca 0.20 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.64 1u7k h LYS 36 Cb 0.05 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1u7k h LYS 36 CO -0.05 -0.06 -0.20 -0.07 -1.08 0.00 0.00 179.45 177.99 1u7k h LEU 37 N -0.90 0.20 -0.43 2.94 3.38 -1.72 -1.61 115.31 117.17 1u7k h LEU 37 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1u7k h LEU 37 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1u7k h LEU 37 CO 0.07 0.42 0.23 0.74 0.09 0.00 0.00 178.44 179.99 1u7k h THR 38 N 0.19 1.16 -0.58 0.22 2.02 -1.11 0.20 112.91 115.01 1u7k h THR 38 Ca 0.03 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1u7k h THR 38 Cb 0.48 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1u7k h THR 38 CO 0.03 0.17 -0.00 0.00 0.37 0.00 0.00 175.52 176.09 1u7k h ALA 39 N 1.09 0.89 0.02 6.16 0.00 -0.72 0.40 119.26 127.08 1u7k h ALA 39 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1u7k h ALA 39 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1u7k h ALA 39 CO -0.02 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 1u7k h LEU 40 N 0.93 -0.02 -0.91 0.00 6.46 -1.07 -1.47 115.31 119.24 1u7k h LEU 40 Ca 0.17 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1u7k h LEU 40 Cb 0.55 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1u7k h LEU 40 CO 0.03 0.16 0.15 0.40 -0.62 0.00 0.00 178.44 178.56 1u7k h ILE 41 N -0.21 1.24 -0.57 4.05 2.04 -0.80 -0.04 117.51 123.23 1u7k h ILE 41 Ca -0.00 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.04 1u7k h ILE 41 Cb 0.20 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1u7k h ILE 41 CO 0.00 0.33 0.26 -0.08 0.00 0.00 0.00 178.15 178.67 1u7k h GLU 42 N 0.92 0.48 0.18 2.37 4.81 -0.76 0.95 114.58 123.53 1u7k h GLU 42 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1u7k h GLU 42 Cb 0.32 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1u7k h GLU 42 CO -0.00 0.32 -0.09 1.03 -0.73 0.00 0.00 179.01 179.54 1u7k h SER 43 N 0.49 -0.21 -0.84 1.04 0.87 -0.21 -3.11 113.55 111.58 1u7k h SER 43 Ca 0.27 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1u7k h SER 43 Cb 0.24 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1u7k h SER 43 CO -0.22 0.05 0.55 0.58 -0.53 0.00 0.00 176.83 177.26 1u7k h VAL 44 N -0.47 1.08 -0.58 2.23 2.07 -0.72 -0.18 116.25 119.67 1u7k h VAL 44 Ca -0.03 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.27 1u7k h VAL 44 Cb 0.36 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1u7k h VAL 44 CO 0.04 0.18 0.39 -0.07 0.02 0.00 0.00 177.57 178.13 1u7k h LEU 45 N 0.98 0.28 0.00 2.57 3.38 -0.75 -0.11 115.31 121.66 1u7k h LEU 45 Ca 0.35 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 1u7k h LEU 45 Cb 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1u7k h LEU 45 CO -0.12 0.16 -0.83 0.74 0.09 0.00 0.00 178.44 178.49 1u7k h THR 46 N 0.30 1.07 -0.27 0.22 2.02 -1.05 -3.19 112.91 112.02 1u7k h THR 46 Ca 0.27 -2.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.21 1u7k h THR 46 Cb 0.66 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1u7k h THR 46 CO -0.06 0.36 -0.36 0.71 0.37 0.00 0.00 175.52 176.54 1u7k h THR 47 N -1.00 1.29 -0.01 3.16 1.35 -1.09 -3.18 112.91 113.43 1u7k h THR 47 Ca -0.22 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1u7k h THR 47 Cb 1.13 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1u7k h THR 47 CO -0.13 0.48 -0.40 1.41 -0.25 0.00 0.00 175.52 176.63 1u7k n HIS 48 N -4.05 0.00 -4.00 4.73 8.25 -0.06 -4.95 115.22 115.13 1u7k n HIS 48 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1u7k n HIS 48 Cb 0.50 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.25 -0.42 -2.27 -0.41 6.02 -1.20 -1.42 117.38 117.43 1u7k n GLN 49 Ca 0.10 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.79 1u7k n GLN 49 Cb 0.42 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 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 -6.90 3.62 1.01 -1.09 0.04 -1.26 -2.65 135.00 127.78 1u7k s PRO 50 Ca 0.38 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1u7k s PRO 50 Cb -0.22 -2.26 0.21 0.00 0.04 0.00 0.00 34.50 32.27 1u7k s PRO 50 CO 0.85 -0.65 1.22 0.95 0.04 0.00 0.00 177.00 179.41 1u7k s THR 51 N -1.63 1.89 0.17 1.26 -4.23 -1.26 -4.79 115.64 107.05 1u7k s THR 51 Ca 0.67 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 61.04 1u7k s THR 51 Cb -0.27 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 70.82 1u7k s THR 51 CO 0.32 0.00 1.79 -0.25 -0.54 0.00 0.00 174.62 175.93 1u7k h TRP 52 N -1.84 0.45 -0.69 3.99 7.01 -1.97 0.19 115.95 123.09 1u7k h TRP 52 Ca -0.46 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1u7k h TRP 52 Cb 1.27 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 28.17 1u7k h TRP 52 CO -1.08 0.23 0.43 -0.44 -2.79 0.00 0.00 178.44 174.79 1u7k h ASP 53 N 0.48 0.81 -0.93 2.65 3.32 -1.99 -1.93 116.42 118.83 1u7k h ASP 53 Ca 0.20 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1u7k h ASP 53 Cb 0.09 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1u7k h ASP 53 CO -0.13 0.61 0.61 0.44 -1.72 0.00 0.00 179.24 179.05 1u7k h ASP 54 N 0.93 1.00 -0.70 6.45 3.32 -1.73 -1.29 116.42 124.40 1u7k h ASP 54 Ca 0.25 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1u7k h ASP 54 Cb -0.06 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1u7k h ASP 54 CO -0.05 0.68 0.29 0.00 -1.72 0.00 0.00 179.24 178.44 1u7k h GLN 56 N 1.00 1.19 -0.24 0.00 1.08 -0.69 -0.72 115.11 116.72 1u7k h GLN 56 Ca 0.24 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1u7k h GLN 56 Cb 0.20 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1u7k h GLN 56 CO -0.02 0.96 0.05 0.37 -0.95 0.00 0.00 178.83 179.24 1u7k h GLN 57 N 1.16 0.40 0.19 1.46 4.15 -0.58 0.15 115.11 122.04 1u7k h GLN 57 Ca 0.27 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1u7k h GLN 57 Cb 0.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1u7k h GLN 57 CO -0.02 0.51 -0.18 1.25 -1.93 0.00 0.00 178.83 178.46 1u7k h LEU 58 N 0.21 -0.47 -0.47 -2.39 6.46 -0.13 -2.13 115.31 116.39 1u7k h LEU 58 Ca 0.08 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1u7k h LEU 58 Cb 0.30 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1u7k h LEU 58 CO 0.00 -0.27 0.23 -0.07 -0.62 0.00 0.00 178.44 177.71 1u7k h LEU 59 N -0.40 0.61 -2.16 2.25 3.38 -1.11 -2.17 115.31 115.71 1u7k h LEU 59 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1u7k h LEU 59 Cb 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u7k h LEU 59 CO -0.04 0.57 -0.05 1.23 0.09 0.00 0.00 178.44 180.24 1u7k h GLY 60 N 0.61 0.00 0.73 0.83 0.00 -0.51 -0.23 103.07 104.51 1u7k h GLY 60 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.15 1u7k h GLY 60 CO -0.02 0.00 -1.90 2.41 0.00 0.00 0.00 176.54 177.03 1u7k n THR 61 N -3.34 1.73 0.08 4.70 -1.04 -0.82 -4.46 114.28 111.13 1u7k n THR 61 Ca -0.02 -0.70 0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1u7k n THR 61 Cb 0.20 -1.52 -0.08 0.00 -1.82 0.00 0.00 70.33 67.11 1u7k n THR 61 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1u7k n LEU 62 N -3.34 0.42 -4.39 -4.42 4.77 -0.84 -4.95 117.00 104.25 1u7k n LEU 62 Ca -0.27 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.58 1u7k n LEU 62 Cb 1.05 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.98 1u7k n LEU 62 CO 0.44 -0.08 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.12 1u7k s LEU 63 N -4.84 2.37 0.92 2.23 1.43 -0.12 -4.67 118.68 116.00 1u7k s LEU 63 Ca -0.04 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1u7k s LEU 63 Cb 0.12 -1.14 0.14 0.00 0.03 0.00 0.00 46.19 45.34 1u7k s LEU 63 CO 0.85 0.13 1.13 0.42 0.23 0.00 0.00 176.35 179.11 1u7k s THR 64 N -1.37 2.10 0.18 5.49 -4.23 -1.26 -4.64 115.64 111.90 1u7k s THR 64 Ca 0.16 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1u7k s THR 64 Cb -0.09 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.09 1u7k s THR 64 CO 0.07 -0.04 1.80 1.23 -0.54 0.00 0.00 174.62 177.14 1u7k h GLY 65 N -1.53 0.74 0.61 3.99 0.00 -1.95 -0.41 103.07 104.52 1u7k h GLY 65 Ca -0.51 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 46.63 1u7k h GLY 65 CO 0.61 0.16 -0.20 0.83 0.00 0.00 0.00 176.54 177.94 1u7k h GLU 66 N 0.57 -0.34 -0.17 4.80 5.08 -2.00 -1.01 114.58 121.51 1u7k h GLU 66 Ca 0.22 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1u7k h GLU 66 Cb 0.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1u7k h GLU 66 CO -0.13 -0.23 0.08 0.93 -1.00 0.00 0.00 179.01 178.66 1u7k h GLU 67 N -0.36 0.17 -0.56 2.33 5.08 -1.84 -2.54 114.58 116.85 1u7k h GLU 67 Ca 0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1u7k h GLU 67 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1u7k h GLU 67 CO -0.14 0.11 0.37 -0.22 -1.00 0.00 0.00 179.01 178.14 1u7k h LYS 68 N 0.17 0.74 -0.60 2.33 3.64 -0.97 -0.91 116.57 120.97 1u7k h LYS 68 Ca 0.07 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1u7k h LYS 68 Cb 0.02 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1u7k h LYS 68 CO -0.05 0.49 0.38 0.37 -2.27 0.00 0.00 179.45 178.37 1u7k h GLN 69 N 0.77 0.72 -0.63 1.90 5.75 -1.03 0.92 115.11 123.52 1u7k h GLN 69 Ca 0.21 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1u7k h GLN 69 Cb -0.09 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.25 1u7k h GLN 69 CO -0.04 0.48 0.36 -0.09 -2.65 0.00 0.00 178.83 176.89 1u7k h ARG 70 N 0.75 0.67 -0.34 1.69 2.43 -1.02 -1.43 114.38 117.12 1u7k h ARG 70 Ca 0.24 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1u7k h ARG 70 Cb -0.00 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1u7k h ARG 70 CO -0.09 0.44 0.08 0.28 -1.51 0.00 0.00 179.97 179.17 1u7k h VAL 71 N 0.69 1.22 -0.10 0.20 2.07 -0.06 -1.95 116.25 118.33 1u7k h VAL 71 Ca 0.27 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1u7k h VAL 71 Cb 0.12 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1u7k h VAL 71 CO -0.15 0.25 -0.31 -0.07 0.02 0.00 0.00 177.57 177.32 1u7k h LEU 72 N 0.40 0.18 -0.26 2.57 3.38 -0.58 -1.41 115.31 119.59 1u7k h LEU 72 Ca 0.11 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1u7k h LEU 72 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1u7k h LEU 72 CO 0.00 0.49 -0.14 -0.07 0.09 0.00 0.00 178.44 178.82 1u7k h LEU 73 N 0.16 0.58 -1.18 1.67 3.38 -1.02 -1.99 115.31 116.91 1u7k h LEU 73 Ca 0.02 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1u7k h LEU 73 Cb 0.63 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1u7k h LEU 73 CO 0.05 0.87 -0.22 -0.33 0.09 0.00 0.00 178.44 178.89 1u7k h GLU 74 N 0.29 0.30 -0.49 1.13 4.39 -1.12 -1.72 114.58 117.35 1u7k h GLU 74 Ca 0.06 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1u7k h GLU 74 Cb 0.65 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1u7k h GLU 74 CO 0.04 0.51 0.11 0.00 -1.16 0.00 0.00 179.01 178.51 1u7k h ALA 75 N 1.50 0.65 0.00 3.43 0.00 -1.02 -2.12 119.26 121.70 1u7k h ALA 75 Ca 0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1u7k h ALA 75 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u7k h ALA 75 CO 0.04 0.35 -0.51 0.00 0.00 0.00 0.00 179.25 179.12 1u7k h ARG 76 N 0.67 0.00 0.00 0.00 3.08 -1.00 -2.06 114.38 115.07 1u7k h ARG 76 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1u7k h ARG 76 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1u7k h ARG 76 CO 0.00 0.51 0.00 -0.22 -1.07 0.00 0.00 179.97 179.20 1u7k h LYS 77 N 0.00 0.00 -0.02 0.04 3.64 -0.97 -3.00 116.57 116.26 1u7k h LYS 77 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1u7k h LYS 77 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1u7k h LYS 77 CO 0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.21 1u7k n ALA 78 N -1.94 2.62 -1.77 5.00 0.00 -0.78 -4.88 120.51 118.77 1u7k n ALA 78 Ca 0.02 -0.51 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 1u7k n ALA 78 Cb 0.31 -1.05 -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 -2.06 2.52 0.11 0.00 1.01 -1.14 -5.01 120.40 115.83 1u7k s VAL 79 Ca 0.33 0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.90 1u7k s VAL 79 Cb 0.20 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1u7k s VAL 79 CO 0.35 0.10 -0.24 -0.13 0.00 0.00 0.00 175.10 175.18 1u7k s ARG 80 N -2.07 1.30 0.68 2.72 0.52 -1.26 -3.04 118.95 117.80 1u7k s ARG 80 Ca 0.54 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 1u7k s ARG 80 Cb -0.40 -1.65 0.16 0.00 0.52 0.00 0.00 34.95 33.57 1u7k s ARG 80 CO 0.53 0.39 0.93 0.41 0.02 0.00 0.00 175.30 177.59 1u7k n GLY 81 N 1.12 -1.10 0.00 -3.53 0.00 0.86 -4.87 105.19 97.67 1u7k n GLY 81 Ca -0.19 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.16 1u7k n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u7k n ASN 82 N -3.52 0.00 -1.13 1.61 0.23 -1.26 -1.93 115.26 109.25 1u7k n ASN 82 Ca 0.12 -0.08 0.10 0.00 -0.53 0.00 0.00 54.58 54.19 1u7k n ASN 82 Cb 0.42 -0.20 0.25 0.00 -2.08 0.00 0.00 39.78 38.17 1u7k n ASN 82 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1u7k n ASP 83 N -1.20 3.56 -0.04 0.53 5.68 -1.26 -4.95 116.55 118.87 1u7k n ASP 83 Ca 0.08 -1.98 -0.01 0.00 -0.50 0.00 0.00 54.79 52.39 1u7k n ASP 83 Cb 0.10 -0.36 -0.00 0.00 -1.14 0.00 0.00 41.12 39.72 1u7k n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u7k n GLY 84 N 1.36 0.40 3.69 6.12 0.00 -0.81 -5.02 105.19 110.92 1u7k n GLY 84 Ca 0.20 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.76 2.48 0.52 1.61 0.52 -1.26 -4.86 118.95 117.21 1u7k s ARG 85 Ca 0.00 -1.20 -0.21 0.00 -0.52 0.00 0.00 55.73 53.80 1u7k s ARG 85 Cb 0.00 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 33.06 1u7k s ARG 85 CO 0.00 0.41 1.08 -2.30 0.02 0.00 0.00 175.30 174.52 1u7k n PRO 86 N -0.60 1.28 -4.04 3.54 -0.02 -1.26 -0.10 135.00 133.81 1u7k n PRO 86 Ca -0.08 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 61.73 1u7k n PRO 86 Cb 0.57 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.38 0.26 -0.17 3.45 -1.32 -1.17 -4.63 115.64 110.67 1u7k s THR 87 Ca 0.70 -0.21 0.02 0.00 -1.21 0.00 0.00 61.69 60.99 1u7k s THR 87 Cb -0.46 -0.23 0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1u7k s THR 87 CO 0.51 0.03 0.74 0.00 -2.21 0.00 0.00 174.62 173.69 1u7k n GLN 88 N 2.88 0.67 -1.58 7.08 3.00 -1.26 -4.80 117.38 123.36 1u7k n GLN 88 Ca -0.13 -0.97 -0.48 0.00 -0.01 0.00 0.00 57.00 55.40 1u7k n GLN 88 Cb 0.59 -1.03 -0.05 0.00 0.00 0.00 0.00 30.24 29.74 1u7k n GLN 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1u7k n LEU 89 N -0.08 2.95 -0.28 1.08 4.77 -1.26 -4.83 117.00 119.35 1u7k n LEU 89 Ca 0.01 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1u7k n LEU 89 Cb 0.13 -1.38 0.18 0.00 -2.33 0.00 0.00 43.42 40.03 1u7k n LEU 89 CO 0.01 -0.44 0.82 -0.65 -1.33 0.00 0.00 177.39 175.80 1u7k h PRO 90 N 11.73 0.09 -0.92 3.23 0.11 -1.99 0.17 132.00 144.43 1u7k h PRO 90 Ca -0.39 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.76 1u7k h PRO 90 Cb 1.28 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1u7k h PRO 90 CO 0.98 0.06 0.59 -2.95 -0.21 0.00 0.00 178.00 176.46 1u7k h ASN 91 N 0.09 0.95 -0.18 -2.05 7.08 -1.98 0.73 115.58 120.21 1u7k h ASN 91 Ca 0.45 0.01 -0.20 0.00 -3.08 0.00 0.00 56.30 53.47 1u7k h ASN 91 Cb 0.82 -0.20 0.01 0.00 -2.08 0.00 0.00 38.32 36.87 1u7k h ASN 91 CO -0.72 0.63 -0.68 -0.33 -2.08 0.00 0.00 177.43 174.25 1u7k h GLU 92 N 1.10 0.78 -0.34 4.14 5.08 -1.40 -1.51 114.58 122.43 1u7k h GLU 92 Ca 0.39 -0.60 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1u7k h GLU 92 Cb 0.10 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1u7k h GLU 92 CO -0.15 1.21 0.10 0.28 -1.00 0.00 0.00 179.01 179.45 1u7k h VAL 93 N 0.51 1.21 -0.08 3.13 2.07 -0.80 -2.69 116.25 119.61 1u7k h VAL 93 Ca -0.03 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1u7k h VAL 93 Cb 1.30 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1u7k h VAL 93 CO 0.14 0.24 -0.28 0.44 0.02 0.00 0.00 177.57 178.13 1u7k h ASP 94 N 0.39 0.14 0.51 0.57 3.32 -0.88 -0.66 116.42 119.81 1u7k h ASP 94 Ca 0.11 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 1u7k h ASP 94 Cb 0.26 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1u7k h ASP 94 CO -0.00 0.42 -0.74 0.00 -1.72 0.00 0.00 179.24 177.20 1u7k h ALA 95 N 1.59 0.70 0.17 3.45 0.00 -1.11 -2.91 119.26 121.16 1u7k h ALA 95 Ca 0.02 -0.64 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 1u7k h ALA 95 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u7k h ALA 95 CO 0.04 0.83 -1.82 0.00 0.00 0.00 0.00 179.25 178.31 1u7k h ALA 96 N 1.11 0.22 -2.12 0.00 0.00 -1.28 -3.43 119.26 113.77 1u7k h ALA 96 Ca -0.02 -1.21 -0.57 0.00 0.00 0.00 0.00 54.91 53.11 1u7k h ALA 96 Cb 1.30 0.52 -0.39 0.00 0.00 0.00 0.00 17.79 19.22 1u7k h ALA 96 CO 0.11 1.10 -1.06 0.34 0.00 0.00 0.00 179.25 179.74 1u7k n PHE 97 N -3.56 -0.43 -2.03 0.00 7.35 -0.27 -4.30 117.46 114.22 1u7k n PHE 97 Ca -0.27 -3.50 -0.39 0.00 -0.76 0.00 0.00 57.45 52.53 1u7k n PHE 97 Cb 1.07 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.73 1u7k n PHE 97 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1u7k s PRO 98 N -0.84 3.87 0.11 -7.13 0.02 -1.10 -4.62 135.00 125.31 1u7k s PRO 98 Ca 0.34 2.15 0.24 0.00 0.02 0.00 0.00 61.00 63.75 1u7k s PRO 98 Cb 0.13 -2.68 0.24 0.00 0.02 0.00 0.00 34.50 32.21 1u7k s PRO 98 CO -0.14 -0.58 1.22 -0.07 -0.33 0.00 0.00 177.00 177.11 1u7k h LEU 99 N 2.50 0.00 -9.04 -5.54 3.38 -1.94 -3.46 115.31 101.21 1u7k h LEU 99 Ca -0.50 -0.24 -0.64 0.00 0.09 0.00 0.00 57.88 56.60 1u7k h LEU 99 Cb 1.25 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1u7k h LEU 99 CO 0.62 0.12 -0.81 -1.61 0.09 0.00 0.00 178.44 176.84 1u7k s GLU 100 N -3.19 1.51 -0.23 1.13 0.41 -1.26 -5.07 118.70 112.00 1u7k s GLU 100 Ca 0.05 -1.54 -0.37 0.00 -0.41 0.00 0.00 54.97 52.70 1u7k s GLU 100 Cb 0.13 -1.79 -0.13 0.00 -1.78 0.00 0.00 34.13 30.56 1u7k s GLU 100 CO 0.75 0.38 1.92 -2.13 -0.49 0.00 0.00 175.26 175.69 1u7k n ARG 101 N 0.17 1.50 -2.04 1.61 0.63 -1.26 -4.96 116.66 112.31 1u7k n ARG 101 Ca -0.12 0.52 -0.28 0.00 -0.92 0.00 0.00 57.85 57.05 1u7k n ARG 101 Cb 0.56 -2.40 0.08 0.00 0.45 0.00 0.00 32.46 31.15 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 4.52 2.01 -0.36 -0.14 0.04 -1.26 -4.98 135.00 134.83 1u7k s PRO 102 Ca 1.00 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1u7k s PRO 102 Cb -0.87 -2.04 0.49 0.00 0.04 0.00 0.00 34.50 32.11 1u7k s PRO 102 CO 0.56 -1.47 1.74 -0.40 0.04 0.00 0.00 177.00 177.47 1u7k n ASP 103 N -3.16 4.02 -4.65 6.66 5.75 -1.26 -4.97 116.55 118.93 1u7k n ASP 103 Ca 0.08 -3.25 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 1u7k n ASP 103 Cb 0.61 -0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 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 -2.55 1.80 -0.41 2.11 0.51 -1.26 -4.96 118.94 114.17 1u7k s TRP 104 Ca 0.44 0.14 -0.16 0.00 -2.12 0.00 0.00 56.10 54.40 1u7k s TRP 104 Cb 0.37 -4.00 0.02 0.00 -0.81 0.00 0.00 33.47 29.05 1u7k s TRP 104 CO 0.07 -4.08 0.35 0.34 -0.51 0.00 0.00 176.95 173.12 1u7k s ASP 105 N 4.04 6.14 0.00 2.95 -1.08 -1.26 -4.95 116.67 122.52 1u7k s ASP 105 Ca 0.78 -0.82 0.11 0.00 -0.52 0.00 0.00 52.55 52.10 1u7k s ASP 105 Cb -0.34 -2.18 0.48 0.00 -1.46 0.00 0.00 42.92 39.41 1u7k s ASP 105 CO 0.32 -0.50 1.36 0.00 0.52 0.00 0.00 175.17 176.87 1u7k n TYR 106 N 5.32 0.00 1.28 -5.34 0.18 -1.26 -1.05 117.16 116.29 1u7k n TYR 106 Ca -0.10 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.83 1u7k n TYR 106 Cb 0.47 -0.50 0.61 0.00 -0.38 0.00 0.00 39.34 39.54 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 -1.50 0.00 -4.20 -3.48 -2.24 -1.26 -4.56 114.28 97.04 1u7k n THR 107 Ca 0.03 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1u7k n THR 107 Cb 0.13 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.67 3.77 0.37 4.28 -4.23 -0.22 -5.01 115.64 111.93 1u7k s THR 108 Ca 0.24 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1u7k s THR 108 Cb 0.20 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.52 1u7k s THR 108 CO 0.51 0.15 2.02 -0.61 -0.54 0.00 0.00 174.62 176.15 1u7k h GLN 109 N 3.62 0.73 -0.34 3.99 4.15 -1.87 -0.64 115.11 124.75 1u7k h GLN 109 Ca -0.48 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 58.83 1u7k h GLN 109 Cb 1.17 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1u7k h GLN 109 CO 0.57 0.49 -0.03 0.00 -1.93 0.00 0.00 178.83 177.93 1u7k h ARG 110 N 0.75 0.61 -0.31 1.69 3.08 -1.95 0.71 114.38 118.95 1u7k h ARG 110 Ca 0.20 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1u7k h ARG 110 Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1u7k h ARG 110 CO -0.04 0.75 -0.07 0.78 -1.07 0.00 0.00 179.97 180.33 1u7k h GLY 111 N 0.41 0.65 0.54 0.04 0.00 -1.58 -1.13 103.07 101.99 1u7k h GLY 111 Ca 0.09 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1u7k h GLY 111 CO 0.02 0.48 0.03 3.21 0.00 0.00 0.00 176.54 180.29 1u7k h ARG 112 N 0.37 0.13 -0.88 4.80 3.08 -1.03 -0.51 114.38 120.36 1u7k h ARG 112 Ca 0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1u7k h ARG 112 Cb 0.55 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1u7k h ARG 112 CO 0.03 0.09 0.46 -0.91 -1.07 0.00 0.00 179.97 178.56 1u7k h ASN 113 N 0.13 1.12 -0.08 7.04 4.21 -0.72 -1.68 115.58 125.60 1u7k h ASN 113 Ca 0.16 -0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.49 1u7k h ASN 113 Cb 0.20 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1u7k h ASN 113 CO -0.24 0.91 -0.12 0.45 -1.29 0.00 0.00 177.43 177.14 1u7k h HIS 114 N 1.24 0.43 -0.33 1.19 3.86 -0.52 -2.56 115.15 118.45 1u7k h HIS 114 Ca 0.31 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.29 1u7k h HIS 114 Cb 0.06 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1u7k h HIS 114 CO 0.01 0.52 -0.46 -0.07 0.86 0.00 0.00 177.93 178.79 1u7k h LEU 115 N 0.38 0.98 -0.59 2.43 3.38 -0.39 0.10 115.31 121.59 1u7k h LEU 115 Ca 0.07 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1u7k h LEU 115 Cb 0.44 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1u7k h LEU 115 CO 0.03 1.29 0.33 0.58 0.09 0.00 0.00 178.44 180.76 1u7k h VAL 116 N 0.71 1.19 -0.47 1.22 2.07 -1.16 -1.01 116.25 118.80 1u7k h VAL 116 Ca 0.04 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1u7k h VAL 116 Cb 1.06 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1u7k h VAL 116 CO 0.11 0.21 -0.01 0.25 0.02 0.00 0.00 177.57 178.15 1u7k h LEU 117 N 0.80 0.82 -0.58 2.57 5.85 -1.32 -1.59 115.31 121.87 1u7k h LEU 117 Ca 0.21 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1u7k h LEU 117 Cb 0.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1u7k h LEU 117 CO -0.03 0.93 0.35 0.22 -0.34 0.00 0.00 178.44 179.57 1u7k h TYR 118 N 0.68 0.65 -0.57 1.25 3.20 -0.47 -1.21 116.97 120.50 1u7k h TYR 118 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1u7k h TYR 118 Cb 0.52 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1u7k h TYR 118 CO 0.04 0.37 -0.00 0.00 -1.64 0.00 0.00 178.16 176.92 1u7k h ARG 119 N 0.69 1.00 -0.57 1.82 3.08 -0.98 -0.79 114.38 118.62 1u7k h ARG 119 Ca 0.24 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u7k h ARG 119 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1u7k h ARG 119 CO -0.11 1.00 0.36 1.96 -1.07 0.00 0.00 179.97 182.11 1u7k h GLN 120 N 0.89 0.76 -0.52 0.04 4.20 -1.00 -1.69 115.11 117.78 1u7k h GLN 120 Ca 0.16 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 1u7k h GLN 120 Cb 0.55 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1u7k h GLN 120 CO 0.03 0.53 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.58 1u7k h LEU 121 N 0.77 0.93 -0.71 1.46 3.38 -0.98 -0.11 115.31 120.05 1u7k h LEU 121 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1u7k h LEU 121 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1u7k h LEU 121 CO -0.04 1.02 0.42 0.25 0.09 0.00 0.00 178.44 180.18 1u7k h LEU 122 N 0.85 0.86 -0.35 1.67 6.46 -0.91 0.21 115.31 124.10 1u7k h LEU 122 Ca 0.14 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1u7k h LEU 122 Cb 0.59 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1u7k h LEU 122 CO 0.04 0.68 -0.03 0.25 -0.62 0.00 0.00 178.44 178.75 1u7k h LEU 123 N 0.97 0.63 -1.19 2.25 5.85 -0.88 -2.52 115.31 120.42 1u7k h LEU 123 Ca 0.25 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1u7k h LEU 123 Cb -0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1u7k h LEU 123 CO -0.05 0.81 0.55 0.00 -0.34 0.00 0.00 178.44 179.42 1u7k h ALA 124 N 0.84 1.42 0.00 1.25 0.00 -0.61 -0.92 119.26 121.24 1u7k h ALA 124 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u7k h ALA 124 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u7k h ALA 124 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1u7k n GLY 125 N -1.41 0.09 0.86 0.00 0.00 0.70 -0.66 105.19 104.78 1u7k n GLY 125 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.59 0.00 -0.13 1.61 6.02 -0.35 -0.22 117.38 124.90 1u7k n GLN 127 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1u7k n GLN 127 Cb 0.02 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.26 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 0.64 -0.24 1.08 2.35 -1.14 -2.57 115.58 115.70 1u7k h ASN 128 Ca 0.00 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1u7k h ASN 128 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1u7k h ASN 128 CO 0.00 0.79 0.13 0.00 -1.65 0.00 0.00 177.43 176.70 1u7k h ALA 129 N 0.88 1.72 -0.22 -0.83 0.00 -0.83 -1.67 119.26 118.31 1u7k h ALA 129 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1u7k h ALA 129 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1u7k h ALA 129 CO 0.02 0.24 -0.20 0.78 0.00 0.00 0.00 179.25 180.09 1u7k h GLY 130 N 0.48 0.42 0.28 0.00 0.00 -1.69 -3.50 103.07 99.06 1u7k h GLY 130 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1u7k h GLY 130 CO -0.01 0.28 0.00 0.54 0.00 0.00 0.00 176.54 177.35