#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 2.04 0.00 2.45 1.43 -0.70 -1.10 118.68 122.81 1u7k s LEU 2 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1u7k s LEU 2 Cb 0.00 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1u7k s LEU 2 CO 0.00 0.27 0.00 -2.11 0.23 0.00 0.00 176.35 174.74 1u7k n ARG 3 N 2.62 0.36 0.00 1.70 1.85 -0.47 -4.31 116.66 118.41 1u7k n ARG 3 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1u7k n ARG 3 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 1.87 2.60 6.98 2.89 0.00 0.17 -0.36 105.19 119.34 1u7k n GLY 5 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1u7k n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u7k n GLY 6 N -0.68 0.84 0.07 -0.02 0.00 -1.26 -0.79 105.19 103.35 1u7k n GLY 6 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.49 1u7k n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u7k n ASN 7 N 7.66 1.90 0.00 1.61 5.15 -1.26 -4.93 115.26 125.39 1u7k n ASN 7 Ca 0.00 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.54 1u7k n ASN 7 Cb 0.00 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 1u7k n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u7k n GLY 8 N -0.87 -0.63 3.67 8.20 0.00 -0.56 -5.12 105.19 109.89 1u7k n GLY 8 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.29 0.33 1.61 2.00 0.03 -4.72 119.66 123.20 1u7k s GLN 9 Ca 0.00 1.59 -0.28 0.00 -2.00 0.00 0.00 55.36 54.67 1u7k s GLN 9 Cb 0.00 -3.66 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 1u7k s GLN 9 CO 0.00 -0.58 1.14 -0.51 -0.50 0.00 0.00 175.29 174.84 1u7k s LEU 10 N 2.94 4.40 -0.04 3.68 1.02 -1.26 0.42 118.68 129.85 1u7k s LEU 10 Ca 0.53 2.33 0.01 0.00 0.02 0.00 0.00 54.13 57.01 1u7k s LEU 10 Cb -0.21 -3.79 0.02 0.00 0.02 0.00 0.00 46.19 42.24 1u7k s LEU 10 CO 0.16 -0.37 -0.02 -1.58 0.02 0.00 0.00 176.35 174.56 1u7k s GLN 11 N -1.82 0.56 -0.04 1.70 0.74 0.51 -4.92 119.66 116.39 1u7k s GLN 11 Ca 0.50 -0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.76 1u7k s GLN 11 Cb -0.32 -0.66 -0.05 0.00 1.10 0.00 0.00 33.01 33.08 1u7k s GLN 11 CO 0.41 -0.11 0.34 -0.47 -0.55 0.00 0.00 175.29 174.91 1u7k s TYR 12 N 0.96 3.68 -0.07 1.67 5.04 -1.26 -1.37 117.35 125.99 1u7k s TYR 12 Ca -0.11 0.86 -0.06 0.00 -2.44 0.00 0.00 57.07 55.32 1u7k s TYR 12 Cb -0.14 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 39.97 1u7k s TYR 12 CO -0.01 0.63 0.19 1.67 -1.34 0.00 0.00 175.55 176.69 1u7k s TRP 13 N -0.92 -0.21 0.65 4.97 -2.14 -0.25 -5.00 118.94 116.04 1u7k s TRP 13 Ca 0.21 0.53 -0.16 0.00 2.66 0.00 0.00 56.10 59.34 1u7k s TRP 13 Cb -0.15 0.05 -0.00 0.00 -3.10 0.00 0.00 33.47 30.26 1u7k s TRP 13 CO 0.10 -0.12 1.14 -2.14 -2.66 0.00 0.00 176.95 173.27 1u7k s PRO 14 N 0.33 2.77 0.49 3.25 0.02 -1.26 0.27 135.00 140.87 1u7k s PRO 14 Ca -0.02 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.30 1u7k s PRO 14 Cb -0.03 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 1u7k s PRO 14 CO -0.01 -1.30 1.16 1.19 -0.33 0.00 0.00 177.00 177.71 1u7k n PHE 15 N -2.25 1.66 -2.61 6.54 0.99 -1.26 -4.70 117.46 115.84 1u7k n PHE 15 Ca 0.11 0.48 -0.39 0.00 -0.00 0.00 0.00 57.45 57.66 1u7k n PHE 15 Cb 0.51 -2.29 -0.05 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 -0.81 7.29 0.33 4.37 0.15 -1.26 -4.93 113.70 118.85 1u7k s SER 16 Ca 0.67 2.08 0.12 0.00 0.70 0.00 0.00 55.95 59.52 1u7k s SER 16 Cb -0.48 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 61.79 1u7k s SER 16 CO 0.54 -0.11 1.73 0.77 1.20 0.00 0.00 173.24 177.37 1u7k h SER 17 N 3.58 0.00 -0.73 5.45 4.64 -2.00 -2.57 113.55 121.93 1u7k h SER 17 Ca -0.47 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1u7k h SER 17 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1u7k h SER 17 CO 0.66 0.48 0.46 0.28 -0.87 0.00 0.00 176.83 177.84 1u7k h SER 18 N 0.00 0.76 0.05 4.97 0.02 -1.99 -0.67 113.55 116.69 1u7k h SER 18 Ca -0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1u7k h SER 18 Cb 0.86 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1u7k h SER 18 CO 0.06 0.53 -0.02 0.44 -1.14 0.00 0.00 176.83 176.69 1u7k h ASP 19 N 0.90 -0.06 -0.57 3.07 3.32 -1.86 -0.61 116.42 120.62 1u7k h ASP 19 Ca 0.29 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1u7k h ASP 19 Cb 0.01 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1u7k h ASP 19 CO -0.11 0.10 0.32 -0.07 -1.72 0.00 0.00 179.24 177.77 1u7k h LEU 20 N -0.21 0.50 -0.32 1.55 3.38 -1.31 0.12 115.31 119.02 1u7k h LEU 20 Ca -0.01 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1u7k h LEU 20 Cb 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u7k h LEU 20 CO 0.01 0.34 -0.81 1.88 0.09 0.00 0.00 178.44 179.95 1u7k h TYR 21 N 0.62 0.53 -0.46 1.13 0.99 -1.11 -1.19 116.97 117.49 1u7k h TYR 21 Ca 0.24 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1u7k h TYR 21 Cb 0.09 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 1u7k h TYR 21 CO -0.08 1.04 0.28 -0.91 -0.00 0.00 0.00 178.16 178.49 1u7k h ASN 22 N 0.24 0.55 -0.49 3.88 2.35 -0.77 0.26 115.58 121.60 1u7k h ASN 22 Ca -0.05 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1u7k h ASN 22 Cb 1.41 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.61 1u7k h ASN 22 CO 0.14 0.44 0.27 -0.50 -1.65 0.00 0.00 177.43 176.13 1u7k h TRP 23 N 0.61 0.51 -0.33 1.19 6.55 -0.80 -1.38 115.95 122.30 1u7k h TRP 23 Ca 0.16 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 1u7k h TRP 23 Cb -0.01 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.11 1u7k h TRP 23 CO -0.03 0.28 0.20 -0.22 -1.05 0.00 0.00 178.44 177.61 1u7k h LYS 24 N 0.55 0.45 0.00 0.49 3.64 -0.76 -3.17 116.57 117.77 1u7k h LYS 24 Ca 0.20 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1u7k h LYS 24 Cb 0.05 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1u7k h LYS 24 CO -0.11 0.35 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.32 1u7k h ASN 25 N 0.43 0.00 -0.52 4.20 2.35 -0.03 -3.09 115.58 118.91 1u7k h ASN 25 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1u7k h ASN 25 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1u7k h ASN 25 CO -0.02 0.20 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 1u7k n ASN 26 N -3.37 5.32 -3.89 5.81 3.02 -0.56 -4.95 115.26 116.65 1u7k n ASN 26 Ca 0.00 -2.91 -0.10 0.00 -0.03 0.00 0.00 54.58 51.54 1u7k n ASN 26 Cb 0.41 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.01 0.09 0.90 6.41 0.01 -1.17 -5.06 114.94 115.11 1u7k s ASN 27 Ca 0.52 -0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.17 1u7k s ASN 27 Cb 0.40 0.24 0.13 0.00 0.41 0.00 0.00 41.25 42.42 1u7k s ASN 27 CO 0.15 -0.48 1.10 -2.16 -1.51 0.00 0.00 177.10 174.21 1u7k s PRO 28 N -2.20 1.21 0.87 -0.60 0.04 -1.26 -4.94 135.00 128.11 1u7k s PRO 28 Ca -0.08 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 1u7k s PRO 28 Cb -0.03 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.81 1u7k s PRO 28 CO -0.02 -2.23 1.11 -1.54 0.04 0.00 0.00 177.00 174.36 1u7k s SER 29 N -3.60 3.49 0.18 6.66 1.04 -1.26 -4.71 113.70 115.49 1u7k s SER 29 Ca 0.63 1.96 -0.13 0.00 0.48 0.00 0.00 55.95 58.89 1u7k s SER 29 Cb -0.17 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.52 1u7k s SER 29 CO 0.56 -2.70 1.81 0.15 0.98 0.00 0.00 173.24 174.04 1u7k h PHE 30 N -1.59 0.75 -0.42 5.02 3.57 -1.82 -1.64 116.94 120.81 1u7k h PHE 30 Ca -0.45 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1u7k h PHE 30 Cb 1.26 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1u7k h PHE 30 CO 0.52 0.51 0.10 0.77 -2.23 0.00 0.00 178.31 177.98 1u7k h SER 31 N 0.76 0.57 -0.14 0.41 0.02 -1.96 -1.46 113.55 111.75 1u7k h SER 31 Ca 0.20 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1u7k h SER 31 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1u7k h SER 31 CO -0.04 0.57 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.47 1u7k h GLU 32 N 0.60 0.53 -1.43 3.45 5.08 -1.82 -3.42 114.58 117.57 1u7k h GLU 32 Ca 0.14 -0.38 -0.23 0.00 -1.00 0.00 0.00 59.36 57.89 1u7k h GLU 32 Cb 0.23 0.06 -0.24 0.00 0.50 0.00 0.00 28.75 29.31 1u7k h GLU 32 CO -0.00 1.00 -0.58 0.34 -1.00 0.00 0.00 179.01 178.77 1u7k s ASP 33 N -6.59 -0.38 0.42 1.42 -1.08 -0.65 -5.00 116.67 104.81 1u7k s ASP 33 Ca -0.13 -1.46 0.08 0.00 -0.52 0.00 0.00 52.55 50.53 1u7k s ASP 33 Cb 0.06 1.28 0.89 0.00 -1.46 0.00 0.00 42.92 43.70 1u7k s ASP 33 CO 0.82 -0.17 2.06 -0.65 0.52 0.00 0.00 175.17 177.74 1u7k h PRO 34 N 6.46 0.46 -0.33 4.34 0.11 -1.46 -2.80 132.00 138.79 1u7k h PRO 34 Ca 0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1u7k h PRO 34 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1u7k h PRO 34 CO 0.14 0.32 0.18 0.78 -0.21 0.00 0.00 178.00 179.21 1u7k h GLY 35 N 0.51 0.47 0.63 -0.55 0.00 -1.94 -0.60 103.07 101.60 1u7k h GLY 35 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1u7k h GLY 35 CO -0.02 0.19 -0.25 0.50 0.00 0.00 0.00 176.54 176.95 1u7k h LYS 36 N 0.45 -0.68 -0.04 4.80 1.79 -1.88 -0.66 116.57 120.35 1u7k h LYS 36 Ca 0.12 0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1u7k h LYS 36 Cb 0.02 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1u7k h LYS 36 CO -0.02 -0.39 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.62 1u7k h LEU 37 N -1.09 0.07 -0.01 2.94 3.38 -1.70 -1.76 115.31 117.15 1u7k h LEU 37 Ca -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u7k h LEU 37 Cb 0.60 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1u7k h LEU 37 CO 0.12 0.35 0.01 0.74 0.09 0.00 0.00 178.44 179.75 1u7k h THR 38 N 0.07 1.08 -0.86 0.22 2.02 -1.06 0.99 112.91 115.37 1u7k h THR 38 Ca 0.01 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1u7k h THR 38 Cb 0.53 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1u7k h THR 38 CO 0.04 0.06 0.52 0.00 0.37 0.00 0.00 175.52 176.51 1u7k h ALA 39 N 0.91 1.10 0.15 6.16 0.00 -0.81 0.33 119.26 127.10 1u7k h ALA 39 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u7k h ALA 39 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u7k h ALA 39 CO -0.00 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 180.98 1u7k h LEU 40 N 1.18 -0.17 -0.78 0.00 6.46 -1.06 -1.57 115.31 119.37 1u7k h LEU 40 Ca 0.31 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1u7k h LEU 40 Cb -0.05 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1u7k h LEU 40 CO -0.06 0.14 0.52 0.40 -0.62 0.00 0.00 178.44 178.82 1u7k h ILE 41 N -0.49 1.20 -0.55 4.05 2.04 -0.70 -0.80 117.51 122.26 1u7k h ILE 41 Ca -0.02 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1u7k h ILE 41 Cb 0.38 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1u7k h ILE 41 CO 0.03 0.19 0.23 -0.08 0.00 0.00 0.00 178.15 178.53 1u7k h GLU 42 N 1.05 0.43 -0.05 2.37 4.81 -0.81 0.18 114.58 122.56 1u7k h GLU 42 Ca 0.29 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1u7k h GLU 42 Cb -0.12 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1u7k h GLU 42 CO -0.06 0.28 0.03 1.03 -0.73 0.00 0.00 179.01 179.56 1u7k h SER 43 N 0.44 0.07 -0.70 1.04 0.87 -0.71 -2.82 113.55 111.74 1u7k h SER 43 Ca 0.26 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1u7k h SER 43 Cb 0.26 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1u7k h SER 43 CO -0.23 0.10 0.46 0.58 -0.53 0.00 0.00 176.83 177.20 1u7k h VAL 44 N 0.03 1.17 -0.67 2.23 2.07 -0.40 0.14 116.25 120.82 1u7k h VAL 44 Ca 0.02 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1u7k h VAL 44 Cb 0.04 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1u7k h VAL 44 CO -0.00 0.17 0.44 -0.07 0.02 0.00 0.00 177.57 178.13 1u7k h LEU 45 N 0.93 0.47 0.01 2.57 3.38 -0.40 0.90 115.31 123.17 1u7k h LEU 45 Ca 0.26 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1u7k h LEU 45 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1u7k h LEU 45 CO -0.06 0.28 -0.56 0.74 0.09 0.00 0.00 178.44 178.94 1u7k h THR 46 N 0.53 1.42 -0.06 0.22 2.02 -1.13 -3.13 112.91 112.78 1u7k h THR 46 Ca 0.31 -2.29 -0.17 0.00 0.77 0.00 0.00 66.41 65.03 1u7k h THR 46 Cb 0.50 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1u7k h THR 46 CO -0.10 0.50 -0.71 0.71 0.37 0.00 0.00 175.52 176.29 1u7k h THR 47 N -0.97 1.40 -0.02 3.16 1.35 -0.82 -3.21 112.91 113.81 1u7k h THR 47 Ca -0.15 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1u7k h THR 47 Cb 1.16 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1u7k h THR 47 CO -0.08 0.64 -0.26 1.41 -0.25 0.00 0.00 175.52 176.98 1u7k n HIS 48 N -3.82 0.00 -4.01 4.73 8.25 0.29 -4.97 115.22 115.70 1u7k n HIS 48 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 1u7k n HIS 48 Cb 0.69 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.79 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 0.52 -0.52 -2.04 -0.41 6.02 -1.18 -1.71 117.38 118.06 1u7k n GLN 49 Ca 0.12 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.69 1u7k n GLN 49 Cb 0.52 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.73 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 -6.89 3.76 1.13 -1.09 0.04 -1.26 -2.58 135.00 128.12 1u7k s PRO 50 Ca 0.29 2.10 -0.19 0.00 0.04 0.00 0.00 61.00 63.25 1u7k s PRO 50 Cb -0.16 -2.59 0.27 0.00 0.04 0.00 0.00 34.50 32.06 1u7k s PRO 50 CO 0.79 -0.65 1.22 0.95 0.04 0.00 0.00 177.00 179.35 1u7k s THR 51 N -1.33 1.73 0.15 1.26 -4.23 -1.26 -4.76 115.64 107.19 1u7k s THR 51 Ca 0.61 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.96 1u7k s THR 51 Cb -0.37 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1u7k s THR 51 CO 0.46 0.00 1.78 -0.25 -0.54 0.00 0.00 174.62 176.07 1u7k h TRP 52 N -2.30 0.52 -0.69 3.99 7.01 -1.96 0.59 115.95 123.11 1u7k h TRP 52 Ca -0.43 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.58 1u7k h TRP 52 Cb 1.25 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 28.10 1u7k h TRP 52 CO -2.15 0.37 0.45 -0.44 -2.79 0.00 0.00 178.44 173.89 1u7k h ASP 53 N 0.52 0.77 -0.73 2.65 3.32 -1.98 -1.82 116.42 119.15 1u7k h ASP 53 Ca 0.14 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1u7k h ASP 53 Cb -0.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1u7k h ASP 53 CO -0.03 0.55 0.47 0.44 -1.72 0.00 0.00 179.24 178.95 1u7k h ASP 54 N 0.91 0.79 -0.87 6.45 3.32 -1.78 -1.39 116.42 123.85 1u7k h ASP 54 Ca 0.26 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1u7k h ASP 54 Cb -0.07 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1u7k h ASP 54 CO -0.07 0.55 0.47 0.00 -1.72 0.00 0.00 179.24 178.46 1u7k h GLN 56 N 1.22 1.15 -0.50 0.00 1.08 -0.78 -1.29 115.11 115.98 1u7k h GLN 56 Ca 0.31 -0.26 -0.12 0.00 -1.45 0.00 0.00 58.65 57.13 1u7k h GLN 56 Cb 0.04 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1u7k h GLN 56 CO -0.05 0.99 -0.15 0.37 -0.95 0.00 0.00 178.83 179.04 1u7k h GLN 57 N 1.10 0.97 -0.08 1.46 4.15 -0.61 0.54 115.11 122.64 1u7k h GLN 57 Ca 0.23 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1u7k h GLN 57 Cb 0.33 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1u7k h GLN 57 CO -0.00 1.04 0.02 1.25 -1.93 0.00 0.00 178.83 179.20 1u7k h LEU 58 N 0.85 0.12 -0.51 -2.39 5.85 -0.46 -1.96 115.31 116.81 1u7k h LEU 58 Ca 0.13 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1u7k h LEU 58 Cb 0.71 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1u7k h LEU 58 CO 0.05 0.33 0.06 -0.07 -0.34 0.00 0.00 178.44 178.47 1u7k h LEU 59 N -0.10 0.84 -1.75 2.25 3.38 -1.20 -1.87 115.31 116.86 1u7k h LEU 59 Ca 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1u7k h LEU 59 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1u7k h LEU 59 CO 0.00 0.90 -0.15 1.23 0.09 0.00 0.00 178.44 180.51 1u7k h GLY 60 N 0.74 0.00 1.08 0.83 0.00 -0.83 -0.20 103.07 104.69 1u7k h GLY 60 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.16 1u7k h GLY 60 CO 0.01 0.00 -1.64 -0.84 0.00 0.00 0.00 176.54 174.07 1u7k h THR 61 N 0.00 1.04 0.00 4.70 2.02 -1.12 -3.39 112.91 116.15 1u7k h THR 61 Ca -0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1u7k h THR 61 Cb 0.29 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1u7k h THR 61 CO 0.02 0.83 -1.29 0.18 0.37 0.00 0.00 175.52 175.63 1u7k n LEU 62 N -3.51 0.52 -4.35 2.58 4.77 -0.72 -4.94 117.00 111.35 1u7k n LEU 62 Ca -0.20 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.49 1u7k n LEU 62 Cb 1.06 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.97 1u7k n LEU 62 CO 0.51 0.02 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.28 1u7k s LEU 63 N -4.18 2.31 1.03 2.23 1.43 -0.10 -4.64 118.68 116.76 1u7k s LEU 63 Ca 0.00 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 1u7k s LEU 63 Cb 0.14 -1.09 0.21 0.00 0.03 0.00 0.00 46.19 45.47 1u7k s LEU 63 CO 0.84 0.14 1.10 0.42 0.23 0.00 0.00 176.35 179.07 1u7k s THR 64 N -1.09 1.95 0.24 5.49 -4.23 -1.26 -4.62 115.64 112.11 1u7k s THR 64 Ca 0.11 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1u7k s THR 64 Cb -0.10 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.46 1u7k s THR 64 CO 0.05 0.00 1.91 1.23 -0.54 0.00 0.00 174.62 177.27 1u7k h GLY 65 N -2.00 1.32 0.84 3.99 0.00 -1.95 0.15 103.07 105.42 1u7k h GLY 65 Ca -0.53 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.27 1u7k h GLY 65 CO 0.55 0.47 0.01 0.83 0.00 0.00 0.00 176.54 178.40 1u7k h GLU 66 N 1.25 0.40 -0.04 4.80 5.08 -1.99 0.06 114.58 124.15 1u7k h GLU 66 Ca 0.35 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1u7k h GLU 66 Cb -0.13 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1u7k h GLU 66 CO -0.08 0.57 0.02 0.93 -1.00 0.00 0.00 179.01 179.45 1u7k h GLU 67 N 0.18 0.07 -0.68 2.33 5.08 -1.84 -2.08 114.58 117.64 1u7k h GLU 67 Ca 0.07 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1u7k h GLU 67 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1u7k h GLU 67 CO 0.01 0.22 0.41 -0.22 -1.00 0.00 0.00 179.01 178.43 1u7k h LYS 68 N -0.10 0.77 -0.48 2.33 3.64 -0.64 -1.66 116.57 120.43 1u7k h LYS 68 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1u7k h LYS 68 Cb 0.18 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1u7k h LYS 68 CO -0.00 0.51 0.18 0.37 -2.27 0.00 0.00 179.45 178.24 1u7k h GLN 69 N 0.79 0.69 -0.30 1.90 5.75 -0.78 -1.74 115.11 121.43 1u7k h GLN 69 Ca 0.28 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1u7k h GLN 69 Cb 0.07 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1u7k h GLN 69 CO -0.13 0.58 0.10 -0.09 -2.65 0.00 0.00 178.83 176.64 1u7k h ARG 70 N 0.69 0.46 -0.42 1.69 2.43 -0.65 -1.66 114.38 116.91 1u7k h ARG 70 Ca 0.17 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1u7k h ARG 70 Cb 0.15 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1u7k h ARG 70 CO -0.01 0.50 0.27 0.28 -1.51 0.00 0.00 179.97 179.50 1u7k h VAL 71 N 0.32 1.12 -0.48 0.20 2.07 -0.82 -1.55 116.25 117.11 1u7k h VAL 71 Ca 0.10 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1u7k h VAL 71 Cb 0.23 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1u7k h VAL 71 CO -0.00 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.55 1u7k h LEU 72 N 0.57 0.86 -0.44 2.57 3.38 -1.22 -0.34 115.31 120.69 1u7k h LEU 72 Ca 0.15 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1u7k h LEU 72 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1u7k h LEU 72 CO -0.03 0.97 0.24 -0.07 0.09 0.00 0.00 178.44 179.64 1u7k h LEU 73 N 0.79 0.37 -0.48 1.67 3.38 -0.99 -2.04 115.31 118.00 1u7k h LEU 73 Ca 0.13 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1u7k h LEU 73 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1u7k h LEU 73 CO 0.04 0.27 -0.32 -0.33 0.09 0.00 0.00 178.44 178.19 1u7k h GLU 74 N 0.48 0.91 -0.61 1.13 4.39 -0.98 -1.75 114.58 118.14 1u7k h GLU 74 Ca 0.18 -0.44 0.08 0.00 0.34 0.00 0.00 59.36 59.52 1u7k h GLU 74 Cb 0.05 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 1u7k h GLU 74 CO -0.10 1.09 0.29 0.00 -1.16 0.00 0.00 179.01 179.12 1u7k h ALA 75 N 0.87 0.81 -0.21 3.43 0.00 -0.91 -2.34 119.26 120.91 1u7k h ALA 75 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1u7k h ALA 75 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1u7k h ALA 75 CO 0.08 -0.10 -0.26 0.00 0.00 0.00 0.00 179.25 178.97 1u7k h ARG 76 N 0.52 0.39 0.00 0.00 3.08 -1.14 -1.64 114.38 115.59 1u7k h ARG 76 Ca 0.29 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1u7k h ARG 76 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1u7k h ARG 76 CO -0.24 0.63 0.00 1.63 -1.07 0.00 0.00 179.97 180.92 1u7k n LYS 77 N -4.13 0.09 -0.44 0.04 5.02 -0.68 -2.91 118.16 115.15 1u7k n LYS 77 Ca -0.01 0.35 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1u7k n LYS 77 Cb 0.40 -1.68 0.27 0.00 -0.02 0.00 0.00 35.03 34.00 1u7k n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u7k n ALA 78 N -1.63 2.81 -1.77 7.82 0.00 -0.62 -4.95 120.51 122.17 1u7k n ALA 78 Ca 0.03 -1.68 -0.40 0.00 0.00 0.00 0.00 53.44 51.39 1u7k n ALA 78 Cb 0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.89 3.07 0.25 0.00 1.01 -1.14 -4.99 120.40 116.71 1u7k s VAL 79 Ca 0.41 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.51 1u7k s VAL 79 Cb 0.27 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1u7k s VAL 79 CO 0.17 0.20 -0.19 -0.13 0.00 0.00 0.00 175.10 175.16 1u7k s ARG 80 N -1.86 1.57 0.66 2.72 0.52 -1.26 -2.10 118.95 119.19 1u7k s ARG 80 Ca 0.50 -1.70 -0.11 0.00 -0.52 0.00 0.00 55.73 53.90 1u7k s ARG 80 Cb -0.35 -1.58 0.16 0.00 0.52 0.00 0.00 34.95 33.70 1u7k s ARG 80 CO 0.45 0.29 0.77 0.41 0.02 0.00 0.00 175.30 177.24 1u7k n GLY 81 N -0.50 -1.82 0.20 -3.53 0.00 0.33 -4.79 105.19 95.07 1u7k n GLY 81 Ca -0.06 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.39 1u7k n GLY 81 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1u7k h ASN 82 N -1.44 0.00 -0.02 1.61 7.08 -2.02 -2.74 115.58 118.06 1u7k h ASN 82 Ca -0.26 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.96 1u7k h ASN 82 Cb 0.75 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.99 1u7k h ASN 82 CO 0.18 0.35 0.00 -0.90 -2.08 0.00 0.00 177.43 174.98 1u7k n ASP 83 N -3.77 0.22 0.00 6.14 5.68 -1.26 -4.88 116.55 118.68 1u7k n ASP 83 Ca -0.01 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1u7k n ASP 83 Cb 0.44 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.83 1.19 3.82 6.12 0.00 -1.03 -5.04 105.19 111.07 1u7k n GLY 84 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.47 4.13 0.46 1.61 0.52 -1.26 -4.71 118.95 119.24 1u7k s ARG 85 Ca 0.00 0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 55.64 1u7k s ARG 85 Cb 0.00 -3.04 -0.08 0.00 0.52 0.00 0.00 34.95 32.35 1u7k s ARG 85 CO 0.00 0.52 1.38 -2.30 0.02 0.00 0.00 175.30 174.92 1u7k n PRO 86 N 1.13 2.07 -3.82 3.54 -0.02 -1.26 0.12 135.00 136.76 1u7k n PRO 86 Ca -0.06 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1u7k n PRO 86 Cb 0.51 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.21 0.07 -0.07 3.45 -1.32 -0.89 -4.68 115.64 110.99 1u7k s THR 87 Ca 0.63 -0.61 0.12 0.00 -1.21 0.00 0.00 61.69 60.62 1u7k s THR 87 Cb -0.46 -0.54 0.22 0.00 -1.51 0.00 0.00 72.50 70.22 1u7k s THR 87 CO 0.56 -0.34 1.11 0.00 -2.21 0.00 0.00 174.62 173.74 1u7k n GLN 88 N 1.32 0.62 -2.05 7.08 1.13 -1.26 -4.50 117.38 119.71 1u7k n GLN 88 Ca -0.22 -1.99 -0.42 0.00 -1.94 0.00 0.00 57.00 52.43 1u7k n GLN 88 Cb 0.56 -0.88 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 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 -1.34 4.37 0.25 1.08 1.43 -1.26 -4.89 118.68 118.32 1u7k s LEU 89 Ca 0.21 2.47 -0.04 0.00 -1.03 0.00 0.00 54.13 55.75 1u7k s LEU 89 Cb 0.21 -3.59 0.48 0.00 0.03 0.00 0.00 46.19 43.31 1u7k s LEU 89 CO -0.03 -0.74 1.72 -0.65 0.23 0.00 0.00 176.35 176.88 1u7k h PRO 90 N 6.81 0.42 -0.27 1.29 0.11 -1.99 -1.49 132.00 136.87 1u7k h PRO 90 Ca -0.42 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1u7k h PRO 90 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1u7k h PRO 90 CO 0.89 0.28 -0.21 -2.95 -0.21 0.00 0.00 178.00 175.79 1u7k h ASN 91 N 0.43 0.50 0.33 -2.05 -0.00 -1.99 -0.86 115.58 111.94 1u7k h ASN 91 Ca 0.42 -0.16 -0.23 0.00 -0.00 0.00 0.00 56.30 56.33 1u7k h ASN 91 Cb 0.66 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.85 1u7k h ASN 91 CO -0.42 0.72 -0.97 -0.33 -0.00 0.00 0.00 177.43 176.43 1u7k h GLU 92 N 0.45 0.42 0.01 4.14 5.08 -1.76 -1.29 114.58 121.64 1u7k h GLU 92 Ca 0.07 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1u7k h GLU 92 Cb 0.62 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1u7k h GLU 92 CO 0.04 1.13 -0.01 0.28 -1.00 0.00 0.00 179.01 179.46 1u7k h VAL 93 N 0.23 1.13 -0.77 3.13 2.07 -1.16 -1.75 116.25 119.13 1u7k h VAL 93 Ca -0.09 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1u7k h VAL 93 Cb 1.61 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 1u7k h VAL 93 CO 0.17 0.11 0.46 0.44 0.02 0.00 0.00 177.57 178.77 1u7k h ASP 94 N -0.20 0.93 -0.27 0.57 5.19 -1.17 0.30 116.42 121.77 1u7k h ASP 94 Ca -0.00 -0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.23 1u7k h ASP 94 Cb 0.19 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1u7k h ASP 94 CO 0.00 0.72 -0.28 0.00 -3.12 0.00 0.00 179.24 176.56 1u7k h ALA 95 N 1.44 0.81 0.21 3.45 0.00 -1.10 -2.71 119.26 121.36 1u7k h ALA 95 Ca 0.28 -0.40 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 1u7k h ALA 95 Cb -0.03 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u7k h ALA 95 CO -0.05 0.64 -1.61 0.00 0.00 0.00 0.00 179.25 178.23 1u7k h ALA 96 N 1.02 0.04 -2.06 0.00 0.00 -0.71 -3.41 119.26 114.14 1u7k h ALA 96 Ca 0.08 -1.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.41 1u7k h ALA 96 Cb 0.81 0.31 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1u7k h ALA 96 CO 0.07 0.90 -0.97 0.34 0.00 0.00 0.00 179.25 179.59 1u7k n PHE 97 N -3.63 0.84 -1.99 0.00 7.35 1.00 -4.35 117.46 116.68 1u7k n PHE 97 Ca -0.20 -3.75 -0.40 0.00 -0.76 0.00 0.00 57.45 52.34 1u7k n PHE 97 Cb 1.08 -0.41 -0.01 0.00 0.35 0.00 0.00 39.48 40.49 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 -1.68 4.12 0.19 -7.13 0.04 -1.02 -4.67 135.00 124.86 1u7k s PRO 98 Ca 0.37 2.31 0.23 0.00 0.04 0.00 0.00 61.00 63.95 1u7k s PRO 98 Cb 0.18 -2.92 0.21 0.00 0.04 0.00 0.00 34.50 32.02 1u7k s PRO 98 CO -0.08 -0.42 1.25 -0.07 0.04 0.00 0.00 177.00 177.72 1u7k h LEU 99 N 2.98 0.00 -9.26 -3.56 3.38 -1.94 -3.46 115.31 103.45 1u7k h LEU 99 Ca -0.50 -0.09 -0.66 0.00 0.09 0.00 0.00 57.88 56.72 1u7k h LEU 99 Cb 1.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 1u7k h LEU 99 CO 0.64 0.05 -0.74 -1.61 0.09 0.00 0.00 178.44 176.86 1u7k s GLU 100 N -3.25 2.07 -0.06 1.13 2.02 -1.26 -5.07 118.70 114.28 1u7k s GLU 100 Ca 0.04 -1.10 -0.37 0.00 0.02 0.00 0.00 54.97 53.56 1u7k s GLU 100 Cb 0.11 -2.25 -0.15 0.00 0.10 0.00 0.00 34.13 31.94 1u7k s GLU 100 CO 0.74 0.49 1.64 -2.13 0.02 0.00 0.00 175.26 176.02 1u7k n ARG 101 N 0.55 1.58 -2.49 1.61 0.63 -1.26 -4.97 116.66 112.31 1u7k n ARG 101 Ca -0.13 0.57 -0.24 0.00 -0.92 0.00 0.00 57.85 57.14 1u7k n ARG 101 Cb 0.53 -2.30 0.04 0.00 0.45 0.00 0.00 32.46 31.18 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 2.37 2.53 -0.37 -0.14 0.04 -1.26 -5.01 135.00 133.16 1u7k s PRO 102 Ca 0.90 -0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.56 1u7k s PRO 102 Cb -0.88 -2.35 0.72 0.00 0.04 0.00 0.00 34.50 32.03 1u7k s PRO 102 CO 0.52 -0.85 1.84 -0.40 0.04 0.00 0.00 177.00 178.16 1u7k n ASP 103 N -2.55 4.41 -4.67 6.66 5.75 -1.26 -5.00 116.55 119.89 1u7k n ASP 103 Ca 0.07 -3.38 -0.46 0.00 -0.01 0.00 0.00 54.79 51.01 1u7k n ASP 103 Cb 0.59 -0.78 -0.04 0.00 -1.03 0.00 0.00 41.12 39.87 1u7k n ASP 103 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1u7k n TRP 104 N -0.53 2.31 -3.88 2.11 8.01 -1.26 -4.97 117.44 119.23 1u7k n TRP 104 Ca 0.48 0.26 -0.36 0.00 -1.31 0.00 0.00 57.50 56.57 1u7k n TRP 104 Cb 1.49 -2.55 -0.13 0.00 -2.01 0.00 0.00 31.31 28.10 1u7k n TRP 104 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1u7k s ASP 105 N 0.90 4.84 0.00 -0.99 -1.08 -1.26 -4.99 116.67 114.08 1u7k s ASP 105 Ca 0.78 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 51.90 1u7k s ASP 105 Cb -0.66 -1.75 0.87 0.00 -1.46 0.00 0.00 42.92 39.92 1u7k s ASP 105 CO 0.38 -0.23 1.38 0.00 0.52 0.00 0.00 175.17 177.22 1u7k n TYR 106 N 4.70 0.00 1.54 -5.34 0.18 -1.26 -1.44 117.16 115.54 1u7k n TYR 106 Ca -0.14 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.78 1u7k n TYR 106 Cb 0.45 -0.11 0.56 0.00 -0.38 0.00 0.00 39.34 39.86 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 -1.11 0.01 -4.37 -3.48 -2.24 -1.26 -4.68 114.28 97.14 1u7k n THR 107 Ca 0.10 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 1u7k n THR 107 Cb 0.08 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.99 2.17 0.33 4.28 -4.23 -0.52 -5.02 115.64 110.65 1u7k s THR 108 Ca 0.39 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1u7k s THR 108 Cb 0.21 -1.93 0.22 0.00 1.34 0.00 0.00 72.50 72.35 1u7k s THR 108 CO 0.34 0.07 1.94 -0.61 -0.54 0.00 0.00 174.62 175.82 1u7k h GLN 109 N 3.92 0.82 -0.40 3.99 5.75 -1.89 -1.27 115.11 126.03 1u7k h GLN 109 Ca -0.50 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 57.90 1u7k h GLN 109 Cb 1.17 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 1u7k h GLN 109 CO 0.39 0.62 0.23 0.00 -2.65 0.00 0.00 178.83 177.42 1u7k h ARG 110 N 0.82 0.54 -0.35 1.69 3.08 -1.96 0.12 114.38 118.33 1u7k h ARG 110 Ca 0.21 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1u7k h ARG 110 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1u7k h ARG 110 CO -0.03 0.42 0.07 0.78 -1.07 0.00 0.00 179.97 180.14 1u7k h GLY 111 N 0.51 0.61 1.06 0.04 0.00 -1.54 -1.66 103.07 102.09 1u7k h GLY 111 Ca 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1u7k h GLY 111 CO -0.02 0.37 0.12 3.21 0.00 0.00 0.00 176.54 180.21 1u7k h ARG 112 N 0.41 1.08 -0.75 4.80 3.08 -0.94 -1.95 114.38 120.11 1u7k h ARG 112 Ca 0.11 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1u7k h ARG 112 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1u7k h ARG 112 CO 0.00 0.99 0.34 -0.91 -1.07 0.00 0.00 179.97 179.32 1u7k h ASN 113 N 1.01 1.00 -0.82 7.04 2.35 -0.70 -1.42 115.58 124.05 1u7k h ASN 113 Ca 0.20 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1u7k h ASN 113 Cb 0.42 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1u7k h ASN 113 CO 0.01 0.87 0.46 0.45 -1.65 0.00 0.00 177.43 177.57 1u7k h HIS 114 N 1.07 1.11 -0.32 1.19 3.86 -0.86 -1.64 115.15 119.56 1u7k h HIS 114 Ca 0.26 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 1u7k h HIS 114 Cb 0.15 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 1u7k h HIS 114 CO 0.01 0.77 -0.41 1.25 0.86 0.00 0.00 177.93 180.41 1u7k h LEU 115 N 1.15 0.92 -0.80 2.43 5.85 -0.97 -0.66 115.31 123.23 1u7k h LEU 115 Ca 0.29 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1u7k h LEU 115 Cb 0.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1u7k h LEU 115 CO -0.05 1.23 0.52 0.58 -0.34 0.00 0.00 178.44 180.38 1u7k h VAL 116 N 0.63 1.18 -0.41 1.05 2.07 -1.01 -1.35 116.25 118.42 1u7k h VAL 116 Ca 0.04 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1u7k h VAL 116 Cb 1.01 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1u7k h VAL 116 CO 0.10 0.19 0.04 0.25 0.02 0.00 0.00 177.57 178.17 1u7k h LEU 117 N 1.05 0.67 -0.38 2.57 5.85 -1.12 -2.04 115.31 121.91 1u7k h LEU 117 Ca 0.30 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1u7k h LEU 117 Cb -0.08 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1u7k h LEU 117 CO -0.08 0.78 0.10 0.22 -0.34 0.00 0.00 178.44 179.12 1u7k h TYR 118 N 0.53 0.17 -0.67 1.25 3.20 -0.66 -0.96 116.97 119.82 1u7k h TYR 118 Ca 0.12 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1u7k h TYR 118 Cb 0.41 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1u7k h TYR 118 CO 0.03 0.04 0.18 0.00 -1.64 0.00 0.00 178.16 176.78 1u7k h ARG 119 N 0.23 1.05 -0.40 1.82 3.08 -1.13 0.30 114.38 119.34 1u7k h ARG 119 Ca 0.18 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1u7k h ARG 119 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1u7k h ARG 119 CO -0.22 0.92 0.25 1.96 -1.07 0.00 0.00 179.97 181.81 1u7k h GLN 120 N 1.01 0.53 -0.37 0.04 4.20 -0.82 -1.25 115.11 118.45 1u7k h GLN 120 Ca 0.22 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 1u7k h GLN 120 Cb 0.32 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1u7k h GLN 120 CO -0.00 0.38 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.33 1u7k h LEU 121 N 0.53 0.65 -0.51 1.46 3.38 -0.85 -1.75 115.31 118.22 1u7k h LEU 121 Ca 0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1u7k h LEU 121 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1u7k h LEU 121 CO -0.03 0.80 0.30 0.25 0.09 0.00 0.00 178.44 179.86 1u7k h LEU 122 N 0.60 0.62 -0.12 1.67 5.85 -0.58 0.12 115.31 123.46 1u7k h LEU 122 Ca 0.10 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1u7k h LEU 122 Cb 0.58 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1u7k h LEU 122 CO 0.04 0.50 0.08 0.25 -0.34 0.00 0.00 178.44 178.96 1u7k h LEU 123 N 0.68 0.13 -0.97 2.25 5.85 -0.95 -2.21 115.31 120.10 1u7k h LEU 123 Ca 0.18 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1u7k h LEU 123 Cb 0.00 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1u7k h LEU 123 CO -0.03 0.10 0.62 0.00 -0.34 0.00 0.00 178.44 178.78 1u7k h ALA 124 N 1.05 1.37 0.00 1.25 0.00 -1.04 -0.86 119.26 121.03 1u7k h ALA 124 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u7k h ALA 124 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1u7k h ALA 124 CO -0.01 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1u7k n GLY 125 N -1.35 0.27 1.36 0.00 0.00 0.41 -1.09 105.19 104.79 1u7k n GLY 125 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.16 1.61 6.02 -0.33 -0.58 117.38 124.51 1u7k n GLN 127 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1u7k n GLN 127 Cb 0.05 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.31 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 0.91 0.03 1.08 2.35 -1.36 -0.22 115.58 118.38 1u7k h ASN 128 Ca 0.00 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 1u7k h ASN 128 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1u7k h ASN 128 CO 0.00 1.05 -0.25 0.00 -1.65 0.00 0.00 177.43 176.59 1u7k h ALA 129 N 0.89 1.23 -0.47 -0.83 0.00 -1.08 -2.55 119.26 116.45 1u7k h ALA 129 Ca 0.12 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1u7k h ALA 129 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u7k h ALA 129 CO 0.04 0.51 -0.08 0.78 0.00 0.00 0.00 179.25 180.50 1u7k h GLY 130 N 1.00 0.95 1.00 0.00 0.00 -1.67 -3.50 103.07 100.85 1u7k h GLY 130 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1u7k h GLY 130 CO 0.04 0.70 0.00 0.54 0.00 0.00 0.00 176.54 177.82