#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kev s ASP 5 N 0.00 6.12 0.41 0.00 -1.08 -1.26 -4.85 116.67 116.00 3kev s ASP 5 Ca 0.00 0.77 0.12 0.00 -0.52 0.00 0.00 52.55 52.92 3kev s ASP 5 Cb 0.00 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.78 3kev s ASP 5 CO 0.00 -1.62 1.93 0.50 0.52 0.00 0.00 175.17 176.50 3kev h LYS 6 N 11.55 0.13 -0.34 4.34 3.64 -1.98 -1.73 116.57 132.18 3kev h LYS 6 Ca -0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3kev h LYS 6 Cb 1.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3kev h LYS 6 CO 1.10 0.31 0.23 -0.22 -2.27 0.00 0.00 179.45 178.60 3kev h LYS 7 N 0.12 0.45 -0.65 1.90 3.64 -1.99 0.90 116.57 120.93 3kev h LYS 7 Ca 0.02 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3kev h LYS 7 Cb 0.38 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3kev h LYS 7 CO 0.03 0.30 0.10 0.00 -2.27 0.00 0.00 179.45 177.60 3kev h ALA 8 N 1.12 0.87 -0.49 5.00 0.00 -1.76 -1.66 119.26 122.34 3kev h ALA 8 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kev h ALA 8 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kev h ALA 8 CO -0.03 0.64 0.20 0.82 0.00 0.00 0.00 179.25 180.89 3kev h ILE 9 N 1.00 1.21 -0.09 0.00 2.04 -1.07 -1.60 117.51 119.00 3kev h ILE 9 Ca 0.20 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3kev h ILE 9 Cb 0.45 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3kev h ILE 9 CO 0.01 0.24 -0.17 -0.07 0.00 0.00 0.00 178.15 178.17 3kev h LEU 10 N 0.66 0.14 -0.63 1.44 3.38 -0.64 -0.33 115.31 119.32 3kev h LEU 10 Ca 0.17 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3kev h LEU 10 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kev h LEU 10 CO -0.01 0.33 -0.54 1.05 0.09 0.00 0.00 178.44 179.35 3kev h GLU 11 N 0.14 0.40 -0.61 1.13 -0.00 -0.87 -0.62 114.58 114.15 3kev h GLU 11 Ca 0.03 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.36 59.12 3kev h GLU 11 Cb 0.39 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.13 3kev h GLU 11 CO 0.02 0.84 0.33 -0.07 -0.00 0.00 0.00 179.01 180.13 3kev h LEU 12 N 0.31 0.77 -0.30 3.06 3.38 -0.67 -2.52 115.31 119.35 3kev h LEU 12 Ca 0.01 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kev h LEU 12 Cb 1.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3kev h LEU 12 CO 0.09 0.66 0.09 0.15 0.09 0.00 0.00 178.44 179.52 3kev h PHE 13 N 0.83 0.16 -0.67 1.13 3.57 -0.79 -1.97 116.94 119.20 3kev h PHE 13 Ca 0.21 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.81 3kev h PHE 13 Cb 0.06 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3kev h PHE 13 CO -0.01 0.06 0.44 1.96 -2.23 0.00 0.00 178.31 178.54 3kev h GLN 14 N 0.21 0.59 -0.51 1.11 7.50 -0.95 -0.44 115.11 122.62 3kev h GLN 14 Ca 0.14 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.16 3kev h GLN 14 Cb 0.12 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 3kev h GLN 14 CO -0.15 0.39 -0.05 1.15 -1.50 0.00 0.00 178.83 178.67 3kev h THR 15 N 0.60 1.26 -0.01 -0.54 2.02 -0.92 -3.32 112.91 112.00 3kev h THR 15 Ca 0.30 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3kev h THR 15 Cb 0.39 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kev h THR 15 CO -0.10 0.40 -0.44 -1.22 0.37 0.00 0.00 175.52 174.53 3kev n TYR 16 N -4.18 0.00 -1.83 3.16 4.01 -0.86 -5.03 117.16 112.44 3kev n TYR 16 Ca 0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.40 3kev n TYR 16 Cb 0.35 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.43 3kev n TYR 16 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3kev s LYS 17 N -2.00 2.70 0.81 -0.72 -2.85 -0.23 -4.19 119.74 113.26 3kev s LYS 17 Ca 0.10 1.92 -0.12 0.00 -1.00 0.00 0.00 55.97 56.88 3kev s LYS 17 Cb 0.12 -1.88 0.08 0.00 -2.06 0.00 0.00 37.83 34.09 3kev s LYS 17 CO 0.45 -1.45 1.11 -1.21 0.10 0.00 0.00 175.35 174.36 3kev s GLU 18 N -3.42 1.95 0.44 1.78 0.41 -0.25 -4.91 118.70 114.69 3kev s GLU 18 Ca 0.79 0.51 0.14 0.00 -0.41 0.00 0.00 54.97 56.00 3kev s GLU 18 Cb -0.33 -1.91 1.04 0.00 -1.78 0.00 0.00 34.13 31.15 3kev s GLU 18 CO 0.37 -1.68 1.98 -1.35 -0.49 0.00 0.00 175.26 174.09 3kev h PRO 19 N -1.13 0.38 0.00 0.39 0.11 -1.95 0.21 132.00 130.01 3kev h PRO 19 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kev h PRO 19 Cb 1.28 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kev h PRO 19 CO 0.61 0.25 -0.03 1.25 -0.21 0.00 0.00 178.00 179.87 3kev h LEU 20 N 0.39 0.00 0.00 2.35 6.46 -1.93 -3.47 115.31 119.12 3kev h LEU 20 Ca 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3kev h LEU 20 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3kev h LEU 20 CO -0.07 0.03 0.00 0.61 -0.62 0.00 0.00 178.44 178.38 3kev n GLY 21 N -1.24 1.90 0.20 3.75 0.00 0.06 -4.91 105.19 104.95 3kev n GLY 21 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3kev n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kev n ASN 22 N 0.00 2.36 -3.48 1.61 6.94 -1.26 -4.90 115.26 116.53 3kev n ASN 22 Ca 0.00 -2.23 -0.12 0.00 -0.02 0.00 0.00 54.58 52.21 3kev n ASN 22 Cb 0.00 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 3kev n ASN 22 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3kev s TYR 23 N -1.40 -0.46 -0.23 -2.53 1.13 -1.26 -1.22 117.35 111.37 3kev s TYR 23 Ca 0.12 0.28 -0.10 0.00 -1.41 0.00 0.00 57.07 55.96 3kev s TYR 23 Cb 0.09 0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 3kev s TYR 23 CO 0.04 -0.79 0.15 0.42 -2.51 0.00 0.00 175.55 172.87 3kev s ILE 24 N -3.55 5.36 0.00 -3.49 1.01 0.28 -1.10 121.20 119.72 3kev s ILE 24 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3kev s ILE 24 Cb -0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3kev s ILE 24 CO -0.11 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3kev n GLY 25 N 4.16 4.67 0.29 6.18 0.00 -1.26 -0.90 105.19 118.33 3kev n GLY 25 Ca -0.15 -2.00 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 3kev n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kev h ALA 26 N 0.02 1.39 0.40 4.61 0.00 -1.98 0.05 119.26 123.75 3kev h ALA 26 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kev h ALA 26 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kev h ALA 26 CO 0.00 0.44 -0.19 0.93 0.00 0.00 0.00 179.25 180.43 3kev h GLU 27 N 0.59 -0.51 -0.72 0.00 4.39 -1.95 -2.02 114.58 114.36 3kev h GLU 27 Ca 0.13 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 3kev h GLU 27 Cb 0.25 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3kev h GLU 27 CO -0.00 -0.27 0.19 0.78 -1.16 0.00 0.00 179.01 178.55 3kev h GLY 28 N -0.67 1.22 1.05 -3.84 0.00 -1.65 -2.42 103.07 96.76 3kev h GLY 28 Ca -0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3kev h GLY 28 CO 0.09 0.70 0.29 1.41 0.00 0.00 0.00 176.54 179.02 3kev h LEU 29 N 1.08 1.09 -0.56 3.11 3.38 -0.94 -0.23 115.31 122.24 3kev h LEU 29 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kev h LEU 29 Cb 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kev h LEU 29 CO -0.00 0.98 0.31 -0.61 0.09 0.00 0.00 178.44 179.21 3kev h GLN 30 N 1.13 0.77 -0.59 1.13 4.15 -1.18 -0.43 115.11 120.09 3kev h GLN 30 Ca 0.26 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 3kev h GLN 30 Cb 0.25 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3kev h GLN 30 CO -0.02 0.59 0.15 0.00 -1.93 0.00 0.00 178.83 177.63 3kev h ARG 31 N 0.75 0.95 -0.28 1.69 3.08 -1.00 -1.43 114.38 118.13 3kev h ARG 31 Ca 0.20 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kev h ARG 31 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3kev h ARG 31 CO -0.03 0.86 0.16 1.25 -1.07 0.00 0.00 179.97 181.14 3kev h LEU 32 N 0.86 0.25 -0.70 3.04 5.85 -0.67 -0.87 115.31 123.06 3kev h LEU 32 Ca 0.19 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3kev h LEU 32 Cb 0.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3kev h LEU 32 CO 0.00 0.18 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.80 3kev h PHE 33 N 0.32 0.86 -0.78 1.25 0.04 -0.99 -1.94 116.94 115.71 3kev h PHE 33 Ca 0.11 -0.20 0.07 0.00 2.80 0.00 0.00 57.97 60.75 3kev h PHE 33 Cb 0.01 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 37.89 3kev h PHE 33 CO -0.08 0.91 0.46 1.49 -0.60 0.00 0.00 178.31 180.49 3kev h GLU 34 N 0.66 0.79 0.00 1.51 4.81 -1.01 -0.75 114.58 120.58 3kev h GLU 34 Ca 0.09 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kev h GLU 34 Cb 0.74 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3kev h GLU 34 CO 0.06 0.52 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.23 3kev h ASP 35 N 0.82 0.00 -0.31 1.04 3.32 -0.39 -2.17 116.42 118.72 3kev h ASP 35 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3kev h ASP 35 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kev h ASP 35 CO -0.20 0.19 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3kev n ILE 36 N -3.58 2.37 -3.19 0.35 -5.35 -0.95 -4.99 119.36 104.01 3kev n ILE 36 Ca -0.01 -1.81 -0.22 0.00 -0.27 0.00 0.00 62.75 60.44 3kev n ILE 36 Cb 0.33 -0.26 0.05 0.00 -1.74 0.00 0.00 39.64 38.02 3kev n ILE 36 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kev n GLN 37 N -0.33 -5.82 -4.60 6.28 3.00 -0.71 -4.94 117.38 110.26 3kev n GLN 37 Ca 0.22 0.86 -0.33 0.00 -0.01 0.00 0.00 57.00 57.74 3kev n GLN 37 Cb 0.94 -5.73 -0.13 0.00 0.00 0.00 0.00 30.24 25.32 3kev n GLN 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3kev s VAL 38 N -3.22 3.49 0.13 5.09 1.01 -0.37 -5.03 120.40 121.50 3kev s VAL 38 Ca 0.39 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3kev s VAL 38 Cb -0.17 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3kev s VAL 38 CO 0.48 0.52 1.30 -0.62 0.00 0.00 0.00 175.10 176.78 3kev s ASP 39 N 0.21 6.94 0.57 3.32 -1.08 -1.26 -4.23 116.67 121.14 3kev s ASP 39 Ca -0.05 2.25 0.31 0.00 -0.52 0.00 0.00 52.55 54.54 3kev s ASP 39 Cb -0.15 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.16 3kev s ASP 39 CO 0.04 -0.54 1.80 -0.65 0.52 0.00 0.00 175.17 176.34 3kev h PRO 40 N 6.28 0.00 0.00 4.34 0.11 -1.95 -0.61 132.00 140.17 3kev h PRO 40 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kev h PRO 40 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kev h PRO 40 CO 0.81 0.00 -0.12 -1.13 -0.21 0.00 0.00 178.00 177.35 3kev n SER 41 N -3.88 0.82 -4.76 -2.05 3.41 -1.26 -4.85 113.62 101.05 3kev n SER 41 Ca 0.17 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.85 3kev n SER 41 Cb 0.98 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3kev n SER 41 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kev n ASP 42 N -2.26 3.80 0.16 4.04 -0.08 -0.24 -4.86 116.55 117.11 3kev n ASP 42 Ca 0.05 1.19 0.17 0.00 -1.51 0.00 0.00 54.79 54.68 3kev n ASP 42 Cb 0.44 -1.60 0.77 0.00 2.34 0.00 0.00 41.12 43.06 3kev n ASP 42 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3kev h VAL 43 N 3.15 0.60 0.00 5.18 3.04 -1.90 -1.52 116.25 124.80 3kev h VAL 43 Ca -0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 3kev h VAL 43 Cb 1.23 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 3kev h VAL 43 CO 0.72 0.00 -0.04 -0.37 -1.01 0.00 0.00 177.57 176.87 3kev h VAL 44 N 0.00 0.16 -0.37 1.51 -1.51 -1.93 -0.78 116.25 113.33 3kev h VAL 44 Ca 0.12 -0.40 -0.10 0.00 -1.23 0.00 0.00 66.70 65.08 3kev h VAL 44 Cb 0.56 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 3kev h VAL 44 CO -0.00 0.04 -0.19 0.71 -1.23 0.00 0.00 177.57 176.89 3kev h THR 45 N 0.00 1.26 -0.19 7.19 1.35 -1.60 -0.24 112.91 120.69 3kev h THR 45 Ca -0.00 -1.26 -0.18 0.00 -0.55 0.00 0.00 66.41 64.42 3kev h THR 45 Cb 0.34 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3kev h THR 45 CO 0.01 0.42 -0.62 -0.07 -0.25 0.00 0.00 175.52 175.01 3kev h LEU 46 N 0.62 0.73 -0.87 3.87 3.38 -1.32 -2.27 115.31 119.46 3kev h LEU 46 Ca 0.09 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3kev h LEU 46 Cb 0.67 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3kev h LEU 46 CO 0.05 1.17 0.35 0.58 0.09 0.00 0.00 178.44 180.69 3kev h VAL 47 N 0.48 1.26 -0.48 1.22 2.07 -1.06 -0.42 116.25 119.31 3kev h VAL 47 Ca -0.01 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3kev h VAL 47 Cb 1.19 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3kev h VAL 47 CO 0.12 0.32 0.31 0.25 0.02 0.00 0.00 177.57 178.59 3kev h LEU 48 N 1.15 0.54 -0.68 2.57 5.85 -0.97 -1.26 115.31 122.51 3kev h LEU 48 Ca 0.27 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3kev h LEU 48 Cb 0.16 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3kev h LEU 48 CO -0.03 0.39 0.41 0.00 -0.34 0.00 0.00 178.44 178.88 3kev h ALA 49 N 1.18 0.90 -0.22 1.25 0.00 -0.92 -0.58 119.26 120.87 3kev h ALA 49 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kev h ALA 49 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kev h ALA 49 CO -0.04 0.15 0.03 2.35 0.00 0.00 0.00 179.25 181.74 3kev h TRP 50 N 0.79 0.06 -0.01 0.00 7.01 -0.78 -1.10 115.95 121.91 3kev h TRP 50 Ca 0.29 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.23 3kev h TRP 50 Cb 0.08 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3kev h TRP 50 CO -0.05 0.01 -0.30 0.87 -2.79 0.00 0.00 178.44 176.17 3kev h LYS 51 N 0.12 0.02 -0.04 2.65 1.79 -0.72 -1.83 116.57 118.56 3kev h LYS 51 Ca 0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3kev h LYS 51 Cb 0.10 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3kev h LYS 51 CO -0.14 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 179.83 3kev n LEU 52 N -4.17 0.72 -3.80 2.94 4.32 -0.27 -4.92 117.00 111.82 3kev n LEU 52 Ca -0.02 -0.27 -0.27 0.00 -0.02 0.00 0.00 56.01 55.42 3kev n LEU 52 Cb 0.35 -0.02 0.04 0.00 -1.62 0.00 0.00 43.42 42.17 3kev n LEU 52 CO 0.38 0.14 0.13 0.29 -1.22 0.00 0.00 177.39 177.11 3kev n LYS 53 N -0.37 -6.18 -1.99 3.23 5.02 -0.69 -4.79 118.16 112.40 3kev n LYS 53 Ca 0.18 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 3kev n LYS 53 Cb 0.20 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.61 3kev n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kev s ALA 54 N -3.34 3.61 -0.63 7.82 0.00 -0.49 -4.91 121.76 123.81 3kev s ALA 54 Ca 0.57 1.36 0.14 0.00 0.00 0.00 0.00 51.96 54.03 3kev s ALA 54 Cb -0.28 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.14 3kev s ALA 54 CO 0.80 -0.78 0.58 -1.13 0.00 0.00 0.00 175.76 175.23 3kev n SER 55 N 1.88 0.68 -4.00 0.00 3.41 -1.26 -4.82 113.62 109.50 3kev n SER 55 Ca 0.05 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.66 3kev n SER 55 Cb 0.40 1.02 -0.15 0.00 -0.26 0.00 0.00 64.21 65.21 3kev n SER 55 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kev s SER 56 N -2.33 1.22 -0.09 4.04 0.01 -1.26 -4.95 113.70 110.34 3kev s SER 56 Ca 0.05 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 3kev s SER 56 Cb 0.10 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3kev s SER 56 CO 0.56 0.07 1.04 0.41 0.41 0.00 0.00 173.24 175.73 3kev n THR 57 N 3.26 0.31 0.00 1.44 -1.04 -1.23 -4.71 114.28 112.32 3kev n THR 57 Ca -0.18 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 3kev n THR 57 Cb 0.54 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 3kev n THR 57 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kev n GLU 59 N 4.37 0.00 -4.28 -2.82 1.02 -1.26 -4.94 120.64 112.73 3kev n GLU 59 Ca 0.05 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.96 3kev n GLU 59 Cb 0.03 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.29 3kev n GLU 59 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kev s PHE 60 N -2.83 1.20 0.90 -0.32 0.08 -0.07 -4.78 117.98 112.16 3kev s PHE 60 Ca 0.00 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 3kev s PHE 60 Cb 0.00 -0.96 0.13 0.00 -0.57 0.00 0.00 43.02 41.62 3kev s PHE 60 CO 0.00 -0.30 1.09 -1.54 -0.10 0.00 0.00 175.22 174.37 3kev s SER 61 N 1.02 3.39 0.20 1.36 1.04 -1.26 -0.55 113.70 118.90 3kev s SER 61 Ca -0.09 1.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 3kev s SER 61 Cb -0.15 -2.21 0.17 0.00 0.10 0.00 0.00 66.02 63.93 3kev s SER 61 CO -0.00 -2.70 1.84 -0.08 0.98 0.00 0.00 173.24 173.28 3kev h GLU 62 N -1.59 0.79 -0.17 4.02 4.81 -1.53 -0.66 114.58 120.25 3kev h GLU 62 Ca -0.49 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3kev h GLU 62 Cb 1.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3kev h GLU 62 CO 0.54 0.52 0.08 -0.22 -0.73 0.00 0.00 179.01 179.20 3kev h LYS 63 N 0.81 0.25 -0.40 1.92 3.64 -1.92 -0.74 116.57 120.14 3kev h LYS 63 Ca 0.26 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 3kev h LYS 63 Cb 0.01 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3kev h LYS 63 CO -0.10 0.28 0.15 0.93 -2.27 0.00 0.00 179.45 178.43 3kev h GLU 64 N 0.16 0.30 -0.13 1.90 5.08 -1.77 -1.12 114.58 119.00 3kev h GLU 64 Ca 0.06 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kev h GLU 64 Cb 0.11 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kev h GLU 64 CO -0.01 0.20 -0.00 0.35 -1.00 0.00 0.00 179.01 178.55 3kev h PHE 65 N 0.31 0.24 -0.04 4.33 3.57 -0.97 -0.01 116.94 124.37 3kev h PHE 65 Ca 0.18 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3kev h PHE 65 Cb 0.16 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3kev h PHE 65 CO -0.14 0.46 -0.27 0.28 -2.23 0.00 0.00 178.31 176.41 3kev h VAL 66 N -0.05 1.47 -0.24 1.41 2.07 -1.06 -0.75 116.25 119.09 3kev h VAL 66 Ca 0.04 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 3kev h VAL 66 Cb 0.36 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3kev h VAL 66 CO 0.01 0.50 -0.28 -0.33 0.02 0.00 0.00 177.57 177.48 3kev h GLU 67 N -0.30 0.47 -0.16 1.57 5.08 -1.30 -2.14 114.58 117.80 3kev h GLU 67 Ca -0.02 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3kev h GLU 67 Cb 0.95 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3kev h GLU 67 CO 0.06 0.71 -0.02 0.78 -1.00 0.00 0.00 179.01 179.54 3kev h GLY 68 N 1.04 0.32 1.19 -3.84 0.00 -0.89 -0.95 103.07 99.94 3kev h GLY 68 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3kev h GLY 68 CO 0.05 0.23 0.21 1.41 0.00 0.00 0.00 176.54 178.44 3kev h LEU 69 N 0.02 0.94 -0.63 3.11 4.07 -1.12 -1.36 115.31 120.34 3kev h LEU 69 Ca 0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 3kev h LEU 69 Cb 0.42 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3kev h LEU 69 CO 0.01 0.88 0.32 0.00 -1.08 0.00 0.00 178.44 178.57 3kev h ALA 70 N 1.25 0.81 0.00 1.53 0.00 -1.23 0.05 119.26 121.67 3kev h ALA 70 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kev h ALA 70 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kev h ALA 70 CO -0.01 0.36 -0.20 -0.97 0.00 0.00 0.00 179.25 178.43 3kev h ASN 71 N 0.87 0.00 -0.02 0.00 -1.24 -0.72 -1.33 115.58 113.14 3kev h ASN 71 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3kev h ASN 71 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3kev h ASN 71 CO -0.03 0.20 0.00 0.18 -1.29 0.00 0.00 177.43 176.49 3kev n LEU 72 N -3.66 1.35 -3.69 0.34 4.77 -0.55 -4.94 117.00 110.61 3kev n LEU 72 Ca -0.01 -0.45 -0.25 0.00 -0.03 0.00 0.00 56.01 55.26 3kev n LEU 72 Cb 0.32 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3kev n LEU 72 CO 0.33 0.23 0.17 0.00 -1.33 0.00 0.00 177.39 176.78 3kev n GLN 73 N 0.06 -6.87 -4.40 3.23 1.13 -0.50 -4.99 117.38 105.03 3kev n GLN 73 Ca 0.19 0.74 -0.34 0.00 -1.94 0.00 0.00 57.00 55.66 3kev n GLN 73 Cb 0.33 -5.71 -0.14 0.00 0.11 0.00 0.00 30.24 24.82 3kev n GLN 73 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kev s VAL 74 N -3.34 3.10 0.00 5.09 1.01 -0.11 -4.91 120.40 121.24 3kev s VAL 74 Ca 0.51 -0.62 0.16 0.00 0.00 0.00 0.00 61.98 62.04 3kev s VAL 74 Cb -0.24 -2.35 0.27 0.00 0.00 0.00 0.00 36.38 34.06 3kev s VAL 74 CO 0.77 0.49 1.10 -0.90 0.00 0.00 0.00 175.10 176.56 3kev n ASP 75 N 4.07 0.59 -3.90 3.32 5.68 -1.26 -4.41 116.55 120.64 3kev n ASP 75 Ca -0.18 -1.99 -0.09 0.00 -0.50 0.00 0.00 54.79 52.03 3kev n ASP 75 Cb 0.52 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 40.20 3kev n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3kev s SER 76 N -1.60 -0.11 0.14 -1.12 1.04 -1.26 -4.55 113.70 106.24 3kev s SER 76 Ca 0.21 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 3kev s SER 76 Cb 0.24 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.88 3kev s SER 76 CO -0.10 -1.04 1.53 -0.07 0.98 0.00 0.00 173.24 174.53 3kev h LEU 77 N 2.32 0.87 -0.80 2.42 3.38 -1.98 -1.59 115.31 119.93 3kev h LEU 77 Ca -0.28 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3kev h LEU 77 Cb 1.25 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3kev h LEU 77 CO 0.40 1.06 0.33 -0.08 0.09 0.00 0.00 178.44 180.23 3kev h GLU 78 N 0.67 1.20 -0.34 1.13 4.57 -1.97 -0.76 114.58 119.08 3kev h GLU 78 Ca 0.10 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3kev h GLU 78 Cb 0.70 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3kev h GLU 78 CO 0.05 0.96 -0.02 0.87 -1.18 0.00 0.00 179.01 179.69 3kev h LYS 79 N 1.17 0.53 -0.33 1.92 1.57 -1.91 -1.92 116.57 117.59 3kev h LYS 79 Ca 0.27 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3kev h LYS 79 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3kev h LYS 79 CO -0.02 0.58 0.04 1.25 -0.57 0.00 0.00 179.45 180.72 3kev h LEU 80 N 0.51 0.55 -0.54 2.94 5.85 -0.72 0.18 115.31 124.08 3kev h LEU 80 Ca 0.11 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kev h LEU 80 Cb 0.36 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kev h LEU 80 CO 0.01 0.68 0.28 0.50 -0.34 0.00 0.00 178.44 179.58 3kev h LYS 81 N 0.39 0.54 -0.36 1.25 3.64 -0.90 -1.31 116.57 119.82 3kev h LYS 81 Ca 0.10 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3kev h LYS 81 Cb 0.38 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3kev h LYS 81 CO 0.01 0.35 -0.25 0.00 -2.27 0.00 0.00 179.45 177.30 3kev h ARG 82 N 0.55 0.72 -0.95 1.90 3.08 -1.19 -2.79 114.38 115.71 3kev h ARG 82 Ca 0.23 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kev h ARG 82 Cb 0.12 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3kev h ARG 82 CO -0.15 0.90 0.57 -0.22 -1.07 0.00 0.00 179.97 180.00 3kev h LYS 83 N 0.63 1.29 -0.58 0.04 1.63 -0.34 -2.58 116.57 116.65 3kev h LYS 83 Ca 0.08 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3kev h LYS 83 Cb 0.75 -0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 3kev h LYS 83 CO 0.06 0.90 0.38 -0.07 -3.45 0.00 0.00 179.45 177.27 3kev h LEU 84 N 1.31 0.66 -0.76 5.20 3.38 -0.99 0.20 115.31 124.30 3kev h LEU 84 Ca 0.34 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.38 3kev h LEU 84 Cb -0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 3kev h LEU 84 CO -0.06 0.48 0.43 -1.28 0.09 0.00 0.00 178.44 178.09 3kev h SER 85 N 0.78 0.62 -0.05 -0.43 0.87 -1.33 -1.26 113.55 112.75 3kev h SER 85 Ca 0.22 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3kev h SER 85 Cb -0.08 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3kev h SER 85 CO -0.05 0.37 0.02 0.28 -0.53 0.00 0.00 176.83 176.92 3kev h SER 86 N 0.75 0.06 -1.01 6.23 0.02 -0.99 -2.77 113.55 115.84 3kev h SER 86 Ca 0.36 -0.16 0.24 0.00 -0.84 0.00 0.00 61.79 61.38 3kev h SER 86 Cb 0.29 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.72 3kev h SER 86 CO -0.23 0.21 0.63 -0.07 -1.14 0.00 0.00 176.83 176.24 3kev h LEU 87 N -0.08 0.57 -1.09 5.07 3.38 -0.02 0.27 115.31 123.41 3kev h LEU 87 Ca 0.02 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kev h LEU 87 Cb 0.16 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3kev h LEU 87 CO -0.00 0.14 0.61 -0.09 0.09 0.00 0.00 178.44 179.19 3kev h ARG 88 N 0.52 1.19 -0.08 1.13 2.43 -0.96 -2.04 114.38 116.57 3kev h ARG 88 Ca 0.59 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.55 3kev h ARG 88 Cb 1.27 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3kev h ARG 88 CO -0.35 0.79 -0.57 0.87 -1.51 0.00 0.00 179.97 179.20 3kev h LYS 89 N 1.22 0.25 -0.64 0.20 1.57 -0.46 -3.25 116.57 115.46 3kev h LYS 89 Ca 0.35 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3kev h LYS 89 Cb -0.08 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3kev h LYS 89 CO -0.09 0.75 0.21 1.49 -0.57 0.00 0.00 179.45 181.25 3kev h GLU 90 N 0.19 0.96 -0.01 3.15 4.81 -0.41 -2.30 114.58 120.97 3kev h GLU 90 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3kev h GLU 90 Cb 1.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3kev h GLU 90 CO 0.09 0.82 0.00 0.44 -0.73 0.00 0.00 179.01 179.63 3kev n ILE 91 N -4.28 0.01 0.53 2.32 -5.35 -1.16 -2.45 119.36 108.98 3kev n ILE 91 Ca 0.05 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 3kev n ILE 91 Cb 0.20 -0.01 0.45 0.00 -1.74 0.00 0.00 39.64 38.55 3kev n ILE 91 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kev n GLU 92 N -0.48 0.19 -2.55 6.28 -0.58 -0.87 -4.21 120.64 118.41 3kev n GLU 92 Ca 0.01 0.30 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 3kev n GLU 92 Cb 0.01 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.07 3kev n GLU 92 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3kev s ASP 93 N -4.13 7.18 0.33 1.62 -1.08 -1.03 -4.96 116.67 114.60 3kev s ASP 93 Ca 0.07 1.78 0.10 0.00 -0.52 0.00 0.00 52.55 53.98 3kev s ASP 93 Cb 0.11 -2.57 0.57 0.00 -1.46 0.00 0.00 42.92 39.58 3kev s ASP 93 CO 0.46 -0.44 1.75 1.55 0.52 0.00 0.00 175.17 179.01 3kev h PRO 94 N 7.04 0.08 -0.02 4.34 0.13 -1.91 0.27 132.00 141.94 3kev h PRO 94 Ca -0.37 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 3kev h PRO 94 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3kev h PRO 94 CO 0.82 0.49 -0.77 0.66 -0.23 0.00 0.00 178.00 178.98 3kev h SER 95 N 0.07 0.24 -0.45 1.44 4.64 -1.95 -1.41 113.55 116.14 3kev h SER 95 Ca 0.00 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 3kev h SER 95 Cb 0.78 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3kev h SER 95 CO 0.06 0.92 -0.07 0.11 -0.87 0.00 0.00 176.83 176.97 3kev h LYS 96 N 0.12 0.84 -0.56 4.77 1.57 -1.77 -2.35 116.57 119.20 3kev h LYS 96 Ca -0.03 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3kev h LYS 96 Cb 1.35 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 3kev h LYS 96 CO 0.12 0.93 0.31 0.35 -0.57 0.00 0.00 179.45 180.59 3kev h PHE 97 N 0.68 0.76 -0.56 -1.35 3.57 -0.80 0.12 116.94 119.37 3kev h PHE 97 Ca 0.12 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3kev h PHE 97 Cb 0.60 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3kev h PHE 97 CO 0.05 0.55 0.34 -0.09 -2.23 0.00 0.00 178.31 176.92 3kev h ARG 98 N 0.75 0.65 -0.18 1.11 2.43 -1.19 0.20 114.38 118.15 3kev h ARG 98 Ca 0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3kev h ARG 98 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3kev h ARG 98 CO -0.03 0.43 0.07 0.00 -1.51 0.00 0.00 179.97 178.93 3kev h ALA 99 N 1.24 0.24 -0.28 2.80 0.00 -1.00 -1.16 119.26 121.11 3kev h ALA 99 Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kev h ALA 99 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kev h ALA 99 CO -0.09 -0.16 0.11 0.35 0.00 0.00 0.00 179.25 179.46 3kev h PHE 100 N 0.13 0.21 -0.70 0.00 3.57 -0.66 -1.25 116.94 118.24 3kev h PHE 100 Ca 0.06 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3kev h PHE 100 Cb 0.20 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3kev h PHE 100 CO -0.01 0.10 0.40 -0.92 -2.23 0.00 0.00 178.31 175.66 3kev h TYR 101 N 0.25 0.74 -0.28 0.41 3.20 -0.44 -1.39 116.97 119.46 3kev h TYR 101 Ca 0.12 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3kev h TYR 101 Cb 0.07 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3kev h TYR 101 CO -0.12 0.37 -0.28 1.96 -1.64 0.00 0.00 178.16 178.45 3kev h GLN 102 N 0.74 0.56 -0.89 1.82 4.20 -0.88 -2.71 115.11 117.96 3kev h GLN 102 Ca 0.31 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kev h GLN 102 Cb 0.16 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3kev h GLN 102 CO -0.17 0.79 0.52 0.35 -0.67 0.00 0.00 178.83 179.64 3kev h PHE 103 N 0.49 1.19 -0.63 2.96 3.57 -0.45 -2.88 116.94 121.19 3kev h PHE 103 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3kev h PHE 103 Cb 0.74 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3kev h PHE 103 CO 0.03 0.81 0.42 0.28 -2.23 0.00 0.00 178.31 177.62 3kev h VAL 104 N 1.23 0.99 0.08 1.41 2.07 -0.94 -0.42 116.25 120.67 3kev h VAL 104 Ca 0.32 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kev h VAL 104 Cb -0.02 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kev h VAL 104 CO -0.06 0.11 -0.08 0.15 0.02 0.00 0.00 177.57 177.71 3kev h PHE 105 N 0.60 -0.22 -0.66 1.57 3.57 -1.57 -1.09 116.94 119.15 3kev h PHE 105 Ca 0.28 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3kev h PHE 105 Cb 0.32 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3kev h PHE 105 CO -0.00 -0.13 0.34 0.37 -2.23 0.00 0.00 178.31 176.66 3kev h GLN 106 N -0.19 0.93 -0.40 1.11 5.75 -1.30 -2.75 115.11 118.26 3kev h GLN 106 Ca 0.01 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.30 3kev h GLN 106 Cb 0.18 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3kev h GLN 106 CO -0.03 0.72 -0.10 -0.92 -2.65 0.00 0.00 178.83 175.86 3kev h TYR 107 N 0.90 0.77 0.00 3.99 3.20 -1.04 -3.24 116.97 121.55 3kev h TYR 107 Ca 0.23 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3kev h TYR 107 Cb 0.08 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3kev h TYR 107 CO -0.00 0.78 -0.58 0.43 -1.64 0.00 0.00 178.16 177.15 3kev n SER 108 N -4.18 0.70 -4.97 -2.11 7.64 -0.42 -3.47 113.62 106.81 3kev n SER 108 Ca 0.01 0.14 -0.21 0.00 1.01 0.00 0.00 58.87 59.82 3kev n SER 108 Cb 0.35 0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 3kev n SER 108 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kev s LYS 109 N -3.16 2.97 0.35 1.43 -2.85 -1.06 -4.96 119.74 112.47 3kev s LYS 109 Ca 0.07 -0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 54.08 3kev s LYS 109 Cb 0.13 -2.62 -0.10 0.00 -2.06 0.00 0.00 37.83 33.19 3kev s LYS 109 CO 0.71 -0.27 0.97 -1.21 0.10 0.00 0.00 175.35 175.65 3kev s GLU 110 N -4.49 4.47 0.40 1.78 0.41 -1.26 -4.80 118.70 115.20 3kev s GLU 110 Ca 0.50 1.35 0.10 0.00 -0.41 0.00 0.00 54.97 56.50 3kev s GLU 110 Cb -0.10 -2.69 0.89 0.00 -1.78 0.00 0.00 34.13 30.45 3kev s GLU 110 CO 0.36 0.17 1.96 -1.35 -0.49 0.00 0.00 175.26 175.91 3kev h PRO 111 N 2.92 0.56 0.00 0.39 0.11 -1.93 -1.38 132.00 132.67 3kev h PRO 111 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3kev h PRO 111 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kev h PRO 111 CO 0.64 0.37 -0.11 0.66 -0.21 0.00 0.00 178.00 179.36 3kev h SER 112 N 0.58 0.00 -3.36 -2.05 4.64 -2.01 -3.45 113.55 107.89 3kev h SER 112 Ca 0.30 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.09 3kev h SER 112 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3kev h SER 112 CO -0.10 0.11 -0.12 -1.10 -0.87 0.00 0.00 176.83 174.75 3kev s GLN 113 N -3.32 3.74 0.05 4.77 -1.52 -0.52 -4.99 119.66 117.86 3kev s GLN 113 Ca 0.04 0.18 0.22 0.00 -1.95 0.00 0.00 55.36 53.86 3kev s GLN 113 Cb 0.07 -2.64 -0.11 0.00 -0.22 0.00 0.00 33.01 30.10 3kev s GLN 113 CO 0.65 0.27 0.84 0.54 -0.25 0.00 0.00 175.29 177.34 3kev n ARG 114 N -0.45 0.44 -4.35 2.91 1.74 -1.26 -4.77 116.66 110.92 3kev n ARG 114 Ca -0.00 -0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 3kev n ARG 114 Cb 0.53 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 3kev n ARG 114 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kev s SER 115 N -4.28 2.22 -0.16 0.55 0.01 -1.26 -4.23 113.70 106.55 3kev s SER 115 Ca -0.00 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.05 3kev s SER 115 Cb 0.14 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 3kev s SER 115 CO 0.84 -0.38 0.05 -0.22 0.41 0.00 0.00 173.24 173.94 3kev s LEU 116 N -3.33 3.77 0.37 2.44 2.96 -0.13 -4.76 118.68 119.99 3kev s LEU 116 Ca 0.26 0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.99 3kev s LEU 116 Cb 0.04 -1.93 -0.12 0.00 0.50 0.00 0.00 46.19 44.68 3kev s LEU 116 CO 0.08 0.22 1.25 -2.65 -1.32 0.00 0.00 176.35 173.93 3kev n PRO 117 N 3.24 1.98 -0.25 0.98 -0.02 -1.26 -0.54 135.00 139.14 3kev n PRO 117 Ca -0.17 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 3kev n PRO 117 Cb 0.53 -2.30 0.17 0.00 -0.02 0.00 0.00 33.50 31.87 3kev n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kev h ALA 118 N 2.32 0.87 -0.53 3.55 0.00 -1.81 -0.37 119.26 123.29 3kev h ALA 118 Ca -0.46 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3kev h ALA 118 Cb 1.29 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3kev h ALA 118 CO 0.61 -0.38 -0.04 0.93 0.00 0.00 0.00 179.25 180.37 3kev h GLU 119 N 0.20 0.93 -0.31 0.00 5.08 -1.91 -2.92 114.58 115.64 3kev h GLU 119 Ca 0.41 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3kev h GLU 119 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kev h GLU 119 CO -0.56 0.95 -0.03 1.15 -1.00 0.00 0.00 179.01 179.51 3kev h THR 120 N 0.85 1.27 0.00 1.13 2.02 -1.65 -2.36 112.91 114.16 3kev h THR 120 Ca 0.15 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3kev h THR 120 Cb 0.56 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3kev h THR 120 CO 0.03 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.26 3kev n ALA 121 N -2.39 1.08 0.00 6.16 0.00 -0.25 -1.45 120.51 123.66 3kev n ALA 121 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kev n ALA 121 Cb 0.29 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3kev n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kev n ALA 123 N 0.66 0.00 -0.07 0.00 0.00 -0.89 -0.43 120.51 119.78 3kev n ALA 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kev n ALA 123 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3kev n ALA 123 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kev h LEU 124 N 0.00 0.89 -1.13 0.00 3.38 -1.53 -2.67 115.31 114.26 3kev h LEU 124 Ca 0.00 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3kev h LEU 124 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3kev h LEU 124 CO 0.00 1.24 0.25 -0.50 0.09 0.00 0.00 178.44 179.52 3kev h TRP 125 N 0.63 0.86 -0.74 1.13 6.55 -1.00 0.24 115.95 123.63 3kev h TRP 125 Ca 0.02 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 3kev h TRP 125 Cb 1.10 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 29.10 3kev h TRP 125 CO 0.06 0.66 0.44 0.22 -1.05 0.00 0.00 178.44 178.77 3kev h ASP 126 N 0.85 0.89 -0.17 -3.49 -0.00 -1.76 -0.17 116.42 112.58 3kev h ASP 126 Ca 0.20 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.03 57.06 3kev h ASP 126 Cb 0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3kev h ASP 126 CO -0.02 0.70 -0.32 0.58 -0.00 0.00 0.00 179.24 180.18 3kev h VAL 127 N 1.01 1.35 0.24 2.25 2.07 -0.99 -3.20 116.25 118.98 3kev h VAL 127 Ca 0.26 -1.56 -0.34 0.00 0.82 0.00 0.00 66.70 65.88 3kev h VAL 127 Cb -0.02 1.94 0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3kev h VAL 127 CO -0.05 0.47 -1.46 -0.07 0.02 0.00 0.00 177.57 176.48 3kev h LEU 128 N 0.15 0.86 -0.96 2.57 3.38 -0.46 -3.39 115.31 117.45 3kev h LEU 128 Ca 0.01 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3kev h LEU 128 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kev h LEU 128 CO 0.07 1.71 -0.23 0.18 0.09 0.00 0.00 178.44 180.26 3kev n LEU 129 N -3.72 1.59 -4.69 1.67 4.77 -0.08 -4.85 117.00 111.67 3kev n LEU 129 Ca -0.17 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 3kev n LEU 129 Cb 1.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.16 3kev n LEU 129 CO 0.61 0.30 1.33 -0.60 -1.33 0.00 0.00 177.39 177.70 3kev s ARG 130 N -1.58 4.20 0.00 3.23 3.52 -1.21 -1.31 118.95 125.79 3kev s ARG 130 Ca 0.12 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 3kev s ARG 130 Cb 0.11 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3kev s ARG 130 CO 0.31 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 3kev n GLY 131 N 3.99 1.03 0.00 8.12 0.00 -1.26 -4.81 105.19 112.26 3kev n GLY 131 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kev n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kev n ARG 132 N -2.00 4.79 -3.53 1.61 1.74 -0.43 -4.95 116.66 113.89 3kev n ARG 132 Ca 0.00 -0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.69 3kev n ARG 132 Cb 0.00 -0.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.71 3kev n ARG 132 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kev s PHE 133 N -0.71 0.31 0.36 -1.55 5.36 -0.77 -4.76 117.98 116.20 3kev s PHE 133 Ca 0.00 -0.90 0.04 0.00 -0.96 0.00 0.00 56.93 55.11 3kev s PHE 133 Cb 0.00 -0.88 0.66 0.00 -0.34 0.00 0.00 43.02 42.46 3kev s PHE 133 CO 0.00 -0.83 1.98 1.03 -1.46 0.00 0.00 175.22 175.93 3kev h SER 134 N 8.30 0.62 -0.17 6.13 0.87 -1.88 -1.95 113.55 125.47 3kev h SER 134 Ca -0.18 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3kev h SER 134 Cb 1.01 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3kev h SER 134 CO 0.42 0.51 0.00 0.18 -0.53 0.00 0.00 176.83 177.41 3kev n LEU 135 N -4.40 1.29 -0.13 2.23 4.77 -1.26 -4.51 117.00 114.99 3kev n LEU 135 Ca 0.04 -0.65 -0.04 0.00 -0.03 0.00 0.00 56.01 55.34 3kev n LEU 135 Cb 0.11 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3kev n LEU 135 CO 0.37 0.27 0.89 0.25 -1.33 0.00 0.00 177.39 177.83 3kev h LEU 136 N 1.04 -0.06 -0.95 2.23 5.85 -1.72 -0.21 115.31 121.49 3kev h LEU 136 Ca 0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kev h LEU 136 Cb 0.41 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3kev h LEU 136 CO 0.03 0.01 0.28 0.44 -0.34 0.00 0.00 178.44 178.86 3kev h ASP 137 N 0.18 0.96 -0.54 1.25 3.32 -1.85 -0.60 116.42 119.14 3kev h ASP 137 Ca 0.21 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3kev h ASP 137 Cb 0.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3kev h ASP 137 CO -0.30 0.85 0.05 0.28 -1.72 0.00 0.00 179.24 178.40 3kev h SER 138 N 1.02 0.89 -0.21 6.45 0.02 -1.73 -1.69 113.55 118.31 3kev h SER 138 Ca 0.24 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3kev h SER 138 Cb 0.20 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3kev h SER 138 CO -0.02 0.95 0.04 -0.25 -1.14 0.00 0.00 176.83 176.41 3kev h TRP 139 N 0.80 0.07 -0.50 3.45 2.91 -0.63 0.02 115.95 122.07 3kev h TRP 139 Ca 0.16 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 3kev h TRP 139 Cb 0.47 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 3kev h TRP 139 CO 0.03 0.02 0.12 -0.07 -1.03 0.00 0.00 178.44 177.51 3kev h LEU 140 N 0.12 0.72 -0.26 0.65 3.38 -0.99 -1.07 115.31 117.86 3kev h LEU 140 Ca 0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3kev h LEU 140 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kev h LEU 140 CO -0.13 0.71 -0.06 -0.08 0.09 0.00 0.00 178.44 178.98 3kev h GLU 141 N 0.74 0.50 -0.96 1.13 4.81 -0.97 -2.76 114.58 117.08 3kev h GLU 141 Ca 0.16 -0.19 0.14 0.00 -0.13 0.00 0.00 59.36 59.34 3kev h GLU 141 Cb 0.28 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 3kev h GLU 141 CO -0.00 0.71 0.61 0.35 -0.73 0.00 0.00 179.01 179.95 3kev h PHE 142 N 0.25 1.00 0.00 0.92 3.57 -0.54 -1.17 116.94 120.96 3kev h PHE 142 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kev h PHE 142 Cb 0.52 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3kev h PHE 142 CO 0.05 0.37 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 3kev n LEU 143 N -4.61 0.50 0.15 0.59 4.77 -0.45 -2.53 117.00 115.42 3kev n LEU 143 Ca 0.19 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.97 3kev n LEU 143 Cb 0.42 -0.64 0.70 0.00 -2.33 0.00 0.00 43.42 41.57 3kev n LEU 143 CO 0.28 -0.64 1.13 0.11 -1.33 0.00 0.00 177.39 176.93 3kev h LYS 144 N 0.00 0.00 -0.30 3.23 1.57 -1.19 -1.55 116.57 118.33 3kev h LYS 144 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kev h LYS 144 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kev h LYS 144 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3kev n ASN 145 N -4.34 3.82 -3.38 0.86 4.13 -1.05 -4.75 115.26 110.56 3kev n ASN 145 Ca 0.03 -2.80 -0.26 0.00 1.68 0.00 0.00 54.58 53.23 3kev n ASN 145 Cb 0.33 -0.49 -0.10 0.00 -1.54 0.00 0.00 39.78 37.97 3kev n ASN 145 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kev s ASN 146 N -1.66 1.75 -0.09 6.41 0.01 -0.58 -5.01 114.94 115.76 3kev s ASN 146 Ca 0.39 -2.57 0.14 0.00 -0.71 0.00 0.00 52.86 50.11 3kev s ASN 146 Cb 0.30 -0.21 0.45 0.00 0.41 0.00 0.00 41.25 42.20 3kev s ASN 146 CO 0.11 -0.22 1.37 0.35 -1.51 0.00 0.00 177.10 177.20 3kev n THR 147 N 3.37 1.67 -1.40 1.60 -2.24 -1.26 -4.75 114.28 111.28 3kev n THR 147 Ca 0.22 -1.42 -0.30 0.00 -2.27 0.00 0.00 64.05 60.28 3kev n THR 147 Cb 0.44 0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.89 3kev n THR 147 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kev s HIS 148 N -1.92 2.67 0.91 4.78 3.76 -1.26 -4.58 115.29 119.65 3kev s HIS 148 Ca 0.34 1.29 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 3kev s HIS 148 Cb 0.24 -3.09 0.12 0.00 1.11 0.00 0.00 32.58 30.96 3kev s HIS 148 CO 0.13 -1.90 1.01 -1.13 -0.85 0.00 0.00 174.74 172.01 3kev n SER 149 N -3.55 -0.04 -4.58 1.40 3.41 -1.26 -4.16 113.62 104.84 3kev n SER 149 Ca 0.07 0.43 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 3kev n SER 149 Cb 0.55 -1.43 -0.11 0.00 -0.26 0.00 0.00 64.21 62.96 3kev n SER 149 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kev s ILE 150 N -2.50 4.99 0.76 -1.33 -1.09 0.30 -4.87 121.20 117.46 3kev s ILE 150 Ca 0.66 0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 3kev s ILE 150 Cb -0.24 -3.33 0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3kev s ILE 150 CO 0.59 0.34 1.09 -0.94 -1.23 0.00 0.00 174.94 174.78 3kev s SER 151 N 1.28 4.82 0.20 3.58 1.04 -1.26 -0.96 113.70 122.39 3kev s SER 151 Ca 0.06 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.76 3kev s SER 151 Cb -0.14 -2.16 0.18 0.00 0.10 0.00 0.00 66.02 63.99 3kev s SER 151 CO 0.05 -1.77 1.81 -0.09 0.98 0.00 0.00 173.24 174.23 3kev h ARG 152 N -0.95 0.64 -0.52 4.02 2.43 -1.99 -0.66 114.38 117.36 3kev h ARG 152 Ca -0.46 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 3kev h ARG 152 Cb 1.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3kev h ARG 152 CO 0.59 0.42 -0.03 -0.44 -1.51 0.00 0.00 179.97 179.00 3kev h ASP 153 N 0.66 0.88 -0.33 -3.80 3.32 -1.96 0.44 116.42 115.63 3kev h ASP 153 Ca 0.26 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3kev h ASP 153 Cb 0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kev h ASP 153 CO -0.15 0.96 0.06 0.74 -1.72 0.00 0.00 179.24 179.13 3kev h THR 154 N 0.82 1.23 0.21 0.35 2.02 -1.86 0.15 112.91 115.84 3kev h THR 154 Ca 0.15 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3kev h THR 154 Cb 0.54 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3kev h THR 154 CO 0.03 0.26 -0.31 -0.25 0.37 0.00 0.00 175.52 175.63 3kev h TRP 155 N 0.37 -0.83 -0.34 3.16 2.91 -0.85 -1.12 115.95 119.25 3kev h TRP 155 Ca 0.10 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3kev h TRP 155 Cb 0.33 0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 3kev h TRP 155 CO 0.02 -0.43 0.19 -0.91 -1.03 0.00 0.00 178.44 176.28 3kev h ASN 156 N -0.59 0.42 1.14 2.65 2.35 -0.80 -2.94 115.58 117.82 3kev h ASN 156 Ca 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kev h ASN 156 Cb 0.57 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kev h ASN 156 CO -0.12 0.38 0.00 -0.07 -1.65 0.00 0.00 177.43 175.97 3kev h LEU 157 N 0.43 0.00 -0.99 1.61 4.07 -0.63 -2.44 115.31 117.36 3kev h LEU 157 Ca 0.12 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 3kev h LEU 157 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3kev h LEU 157 CO -0.02 0.00 -0.27 0.25 -1.08 0.00 0.00 178.44 177.32 3kev h LEU 158 N 0.00 0.41 -0.34 1.67 5.85 -1.01 -0.01 115.31 121.88 3kev h LEU 158 Ca 0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3kev h LEU 158 Cb 0.57 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3kev h LEU 158 CO 0.00 0.68 0.10 0.22 -0.34 0.00 0.00 178.44 179.10 3kev h TYR 159 N 0.36 0.56 -0.68 1.25 3.20 -1.49 0.38 116.97 120.55 3kev h TYR 159 Ca 0.05 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3kev h TYR 159 Cb 0.66 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 3kev h TYR 159 CO 0.02 0.56 0.42 -0.44 -1.64 0.00 0.00 178.16 177.07 3kev h ASP 160 N 0.40 0.67 -0.73 -2.11 3.32 -1.48 -1.86 116.42 114.62 3kev h ASP 160 Ca 0.11 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kev h ASP 160 Cb 0.27 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3kev h ASP 160 CO -0.00 0.46 0.45 0.15 -1.72 0.00 0.00 179.24 178.57 3kev h PHE 161 N 0.80 0.95 0.00 4.55 3.57 -0.57 -2.29 116.94 123.96 3kev h PHE 161 Ca 0.28 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3kev h PHE 161 Cb 0.06 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 3kev h PHE 161 CO -0.05 0.63 -0.13 0.66 -2.23 0.00 0.00 178.31 177.20 3kev h SER 162 N 1.00 0.00 -0.01 0.41 4.64 -0.16 -2.45 113.55 116.98 3kev h SER 162 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3kev h SER 162 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kev h SER 162 CO -0.05 0.13 -0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3kev n GLN 163 N -4.38 1.52 -2.41 4.77 1.13 -0.80 -4.79 117.38 112.41 3kev n GLN 163 Ca -0.03 -0.77 -0.24 0.00 -1.94 0.00 0.00 57.00 54.02 3kev n GLN 163 Cb 0.20 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.11 3kev n GLN 163 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kev s LEU 164 N -2.01 3.08 0.00 1.08 1.43 -0.93 -5.08 118.68 116.25 3kev s LEU 164 Ca 0.40 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3kev s LEU 164 Cb 0.21 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3kev s LEU 164 CO 0.35 -1.31 0.00 1.17 0.23 0.00 0.00 176.35 176.79 3kev n LYS 167 N -2.64 0.00 0.16 1.70 4.81 -1.26 -4.80 118.16 116.14 3kev n LYS 167 Ca 0.07 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.53 3kev n LYS 167 Cb 0.59 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.90 3kev n LYS 167 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3kev h ASP 168 N 0.00 0.00 0.04 3.14 3.32 -2.00 0.24 116.42 121.15 3kev h ASP 168 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kev h ASP 168 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kev h ASP 168 CO 0.00 0.49 -0.10 0.25 -1.72 0.00 0.00 179.24 178.16 3kev h LEU 169 N 0.00 -0.30 -2.16 1.55 5.85 -1.98 0.16 115.31 118.44 3kev h LEU 169 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kev h LEU 169 Cb 0.98 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3kev h LEU 169 CO 0.06 -0.11 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.75 3kev h SER 170 N -0.15 0.00 -0.50 1.25 0.87 -1.99 -1.92 113.55 111.11 3kev h SER 170 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kev h SER 170 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3kev h SER 170 CO -0.05 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 176.75 3kev n ASP 171 N -4.17 2.96 -4.49 6.23 8.00 0.06 -4.95 116.55 120.19 3kev n ASP 171 Ca -0.03 -2.08 -0.55 0.00 0.71 0.00 0.00 54.79 52.84 3kev n ASP 171 Cb 0.11 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 3kev n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kev n TYR 172 N 0.94 0.52 0.00 1.24 9.36 0.52 -4.98 117.16 124.76 3kev n TYR 172 Ca 0.18 0.98 0.00 0.00 3.32 0.00 0.00 57.90 62.37 3kev n TYR 172 Cb 0.50 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 3kev n TYR 172 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3kev n ASP 173 N 1.72 0.00 0.00 2.98 2.03 -1.26 -5.09 116.55 116.93 3kev n ASP 173 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 3kev n ASP 173 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 3kev n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kev n ALA 177 N -3.00 0.00 -2.60 -1.67 0.00 -1.26 -5.14 120.51 106.84 3kev n ALA 177 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3kev n ALA 177 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3kev n ALA 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kev s TRP 178 N 0.00 3.65 0.59 0.00 0.52 -1.26 -5.05 118.94 117.38 3kev s TRP 178 Ca 0.00 0.83 -0.20 0.00 0.02 0.00 0.00 56.10 56.75 3kev s TRP 178 Cb 0.00 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 3kev s TRP 178 CO 0.00 0.61 1.26 -2.30 0.02 0.00 0.00 176.95 176.54 3kev n PRO 179 N 1.48 1.35 -0.18 4.98 -0.02 -1.26 -4.71 135.00 136.64 3kev n PRO 179 Ca -0.13 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3kev n PRO 179 Cb 0.53 -2.47 0.42 0.00 -0.02 0.00 0.00 33.50 31.95 3kev n PRO 179 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3kev h VAL 180 N 0.97 0.90 -0.62 -1.45 3.04 -1.98 -1.22 116.25 115.88 3kev h VAL 180 Ca -0.50 -0.21 -0.07 0.00 -1.01 0.00 0.00 66.70 64.91 3kev h VAL 180 Cb 1.33 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.83 3kev h VAL 180 CO 0.55 0.11 0.10 0.25 -1.01 0.00 0.00 177.57 177.57 3kev h LEU 181 N 0.60 0.96 -0.21 3.16 5.85 -1.99 0.19 115.31 123.87 3kev h LEU 181 Ca 0.35 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.67 3kev h LEU 181 Cb 0.56 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3kev h LEU 181 CO -0.13 0.96 -0.60 0.40 -0.34 0.00 0.00 178.44 178.73 3kev h ILE 182 N 0.95 1.29 -0.39 4.05 2.04 -1.62 -1.49 117.51 122.34 3kev h ILE 182 Ca 0.19 -1.81 0.07 0.00 1.00 0.00 0.00 64.86 64.32 3kev h ILE 182 Cb 0.41 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 3kev h ILE 182 CO 0.01 0.57 -0.02 0.44 0.00 0.00 0.00 178.15 179.15 3kev h ASP 183 N 0.51 -0.21 -0.60 1.72 3.32 -0.94 -1.52 116.42 118.70 3kev h ASP 183 Ca -0.02 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3kev h ASP 183 Cb 1.22 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 3kev h ASP 183 CO 0.13 -0.07 0.27 0.44 -1.72 0.00 0.00 179.24 178.29 3kev h ASP 184 N 0.08 0.83 -0.45 6.45 3.32 -0.56 -2.27 116.42 123.81 3kev h ASP 184 Ca 0.19 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3kev h ASP 184 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3kev h ASP 184 CO -0.34 0.73 0.17 0.15 -1.72 0.00 0.00 179.24 178.23 3kev h PHE 185 N 0.90 0.70 -0.82 4.55 3.57 -0.53 0.21 116.94 125.51 3kev h PHE 185 Ca 0.22 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3kev h PHE 185 Cb 0.15 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3kev h PHE 185 CO 0.01 0.60 0.49 0.28 -2.23 0.00 0.00 178.31 177.46 3kev h VAL 186 N 0.59 1.23 -0.64 1.41 2.07 -0.95 -0.83 116.25 119.13 3kev h VAL 186 Ca 0.15 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 3kev h VAL 186 Cb 0.21 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3kev h VAL 186 CO -0.01 0.24 0.11 0.11 0.02 0.00 0.00 177.57 178.04 3kev h LYS 187 N 1.13 1.06 -0.89 1.57 1.57 -1.21 -2.93 116.57 116.87 3kev h LYS 187 Ca 0.29 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3kev h LYS 187 Cb -0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3kev h LYS 187 CO -0.05 0.98 0.48 2.35 -0.57 0.00 0.00 179.45 182.64 3kev h TRP 188 N 0.98 1.23 0.00 -1.35 7.01 -0.31 -1.88 115.95 121.63 3kev h TRP 188 Ca 0.20 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 3kev h TRP 188 Cb 0.43 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3kev h TRP 188 CO 0.03 0.85 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.45 3kev h LEU 189 N 1.25 0.00 -0.57 0.65 3.38 -0.98 -0.79 115.31 118.25 3kev h LEU 189 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kev h LEU 189 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kev h LEU 189 CO -0.05 0.01 -0.08 0.29 0.09 0.00 0.00 178.44 178.70 3kev n LYS 190 N -3.64 1.18 -3.76 1.13 5.02 -0.72 -4.93 118.16 112.44 3kev n LYS 190 Ca -0.03 -0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 55.47 3kev n LYS 190 Cb 0.09 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3kev n LYS 190 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3kev n HIS 191 N -0.41 -1.85 0.30 2.13 -0.00 -0.30 -5.11 115.22 109.98 3kev n HIS 191 Ca 0.17 0.82 0.04 0.00 -0.00 0.00 0.00 57.72 58.74 3kev n HIS 191 Cb 0.30 -4.24 0.03 0.00 -0.00 0.00 0.00 29.99 26.09 3kev n HIS 191 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49