#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfl s LEU 2 N 0.00 4.31 0.67 1.34 1.43 -1.26 -5.05 118.68 120.12 1lfl s LEU 2 Ca 0.00 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1lfl s LEU 2 Cb 0.00 -2.82 -0.00 0.00 0.03 0.00 0.00 46.19 43.40 1lfl s LEU 2 CO 0.00 -0.71 1.07 -0.94 0.23 0.00 0.00 176.35 176.00 1lfl s SER 3 N 1.92 5.32 0.46 2.29 1.04 -1.26 -4.82 113.70 118.65 1lfl s SER 3 Ca 0.25 1.79 0.23 0.00 0.48 0.00 0.00 55.95 58.70 1lfl s SER 3 Cb -0.14 -2.52 1.23 0.00 0.10 0.00 0.00 66.02 64.69 1lfl s SER 3 CO 0.18 -1.48 1.86 -0.65 0.98 0.00 0.00 173.24 174.12 1lfl h PRO 4 N -0.25 0.25 0.01 4.02 0.11 -2.00 0.75 132.00 134.88 1lfl h PRO 4 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lfl h PRO 4 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1lfl h PRO 4 CO 0.56 0.17 -0.00 0.00 -0.21 0.00 0.00 178.00 178.51 1lfl h ALA 5 N 1.59 -0.01 -0.24 -0.75 0.00 -2.01 -2.96 119.26 114.88 1lfl h ALA 5 Ca 0.47 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1lfl h ALA 5 Cb 1.42 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1lfl h ALA 5 CO -0.13 -0.39 -0.25 -0.44 0.00 0.00 0.00 179.25 178.04 1lfl h ASP 6 N -0.24 -0.80 -0.98 0.00 3.32 -1.20 -1.53 116.42 114.98 1lfl h ASP 6 Ca -0.00 0.14 0.21 0.00 0.02 0.00 0.00 57.03 57.40 1lfl h ASP 6 Cb 0.23 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 1lfl h ASP 6 CO 0.00 -0.28 0.62 0.11 -1.72 0.00 0.00 179.24 177.97 1lfl h LYS 7 N -0.26 0.56 -0.13 3.56 1.57 -1.42 -0.20 116.57 120.26 1lfl h LYS 7 Ca 0.13 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1lfl h LYS 7 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1lfl h LYS 7 CO -0.39 0.37 -0.24 1.15 -0.57 0.00 0.00 179.45 179.78 1lfl h THR 8 N 0.58 1.37 -0.40 -0.16 2.02 -1.13 0.14 112.91 115.34 1lfl h THR 8 Ca 0.55 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1lfl h THR 8 Cb 1.11 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1lfl h THR 8 CO -0.31 0.44 0.26 0.78 0.37 0.00 0.00 175.52 177.07 1lfl h ASN 9 N -0.03 0.45 -0.67 4.18 4.21 -0.72 0.80 115.58 123.80 1lfl h ASN 9 Ca 0.01 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 1lfl h ASN 9 Cb 0.83 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.89 1lfl h ASN 9 CO 0.05 0.32 0.10 1.62 -1.29 0.00 0.00 177.43 178.23 1lfl h VAL 10 N 0.53 1.27 -0.68 2.81 3.04 -1.06 0.54 116.25 122.70 1lfl h VAL 10 Ca 0.15 -1.06 -0.06 0.00 -1.01 0.00 0.00 66.70 64.72 1lfl h VAL 10 Cb -0.06 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 1lfl h VAL 10 CO -0.04 0.40 0.21 0.11 -1.01 0.00 0.00 177.57 177.24 1lfl h LYS 11 N 1.04 1.05 0.62 4.17 1.57 0.01 -1.32 116.57 123.72 1lfl h LYS 11 Ca 0.20 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1lfl h LYS 11 Cb 0.46 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1lfl h LYS 11 CO 0.02 0.90 -0.30 0.00 -0.57 0.00 0.00 179.45 179.50 1lfl h ALA 12 N 1.21 -0.84 0.27 3.86 0.00 0.10 -1.98 119.26 121.88 1lfl h ALA 12 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lfl h ALA 12 Cb 0.29 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1lfl h ALA 12 CO -0.01 -0.84 -0.33 0.00 0.00 0.00 0.00 179.25 178.07 1lfl h ALA 13 N -0.95 -0.67 -0.98 0.00 0.00 -0.89 -1.63 119.26 114.15 1lfl h ALA 13 Ca -0.09 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1lfl h ALA 13 Cb 0.69 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1lfl h ALA 13 CO 0.14 -0.92 0.61 2.35 0.00 0.00 0.00 179.25 181.44 1lfl h TRP 14 N -0.65 0.96 -0.29 0.00 -0.00 -1.33 0.17 115.95 114.81 1lfl h TRP 14 Ca -0.00 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 1lfl h TRP 14 Cb 0.61 -0.29 -0.07 0.00 -0.00 0.00 0.00 29.16 29.41 1lfl h TRP 14 CO -0.23 0.26 -0.21 0.78 -0.00 0.00 0.00 178.44 179.05 1lfl h GLY 15 N 0.73 -0.05 1.98 2.65 0.00 -0.50 0.13 103.07 108.00 1lfl h GLY 15 Ca 0.53 0.27 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1lfl h GLY 15 CO -0.31 -0.19 0.01 1.70 0.00 0.00 0.00 176.54 177.75 1lfl h LYS 16 N -0.19 0.00 -0.13 4.80 3.11 -0.20 -2.21 116.57 121.74 1lfl h LYS 16 Ca 0.15 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1lfl h LYS 16 Cb 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1lfl h LYS 16 CO -0.40 0.00 0.09 0.28 -2.81 0.00 0.00 179.45 176.60 1lfl h VAL 17 N 0.00 1.03 0.00 2.00 2.07 -0.20 -3.47 116.25 117.69 1lfl h VAL 17 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1lfl h VAL 17 Cb 0.02 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1lfl h VAL 17 CO -0.00 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1lfl n GLY 18 N -1.13 3.04 0.00 2.17 0.00 -0.84 -2.32 105.19 106.12 1lfl n GLY 18 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1lfl n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfl n ALA 19 N 9.65 2.36 1.05 4.61 0.00 -1.26 -2.65 120.51 134.27 1lfl n ALA 19 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1lfl n ALA 19 Cb 0.00 -1.22 0.30 0.00 0.00 0.00 0.00 19.45 18.53 1lfl n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 20 N -0.78 0.00 0.00 0.00 -0.00 -0.98 -4.61 115.22 108.85 1lfl n HIS 20 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1lfl n HIS 20 Cb 0.05 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 1lfl n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lfl n ALA 21 N -1.35 0.00 -0.16 -1.41 0.00 -1.09 -0.13 120.51 116.38 1lfl n ALA 21 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.67 1lfl n ALA 21 Cb 0.34 0.12 0.53 0.00 0.00 0.00 0.00 19.45 20.43 1lfl n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lfl h GLY 22 N 0.00 0.64 0.98 0.00 0.00 -1.87 -0.92 103.07 101.89 1lfl h GLY 22 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1lfl h GLY 22 CO 0.00 0.05 0.28 -2.09 0.00 0.00 0.00 176.54 174.77 1lfl h GLU 23 N 0.36 0.80 0.01 4.80 4.81 -0.83 -1.63 114.58 122.90 1lfl h GLU 23 Ca 0.37 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1lfl h GLU 23 Cb 0.92 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1lfl h GLU 23 CO -0.11 0.65 -0.00 1.88 -0.73 0.00 0.00 179.01 180.69 1lfl h TYR 24 N 0.75 -0.01 -1.01 0.92 0.99 -0.74 -2.80 116.97 115.08 1lfl h TYR 24 Ca 0.19 -0.00 0.26 0.00 2.00 0.00 0.00 58.73 61.19 1lfl h TYR 24 Cb 0.10 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 37.71 1lfl h TYR 24 CO -0.01 0.60 0.59 0.78 -0.00 0.00 0.00 178.16 180.12 1lfl h GLY 25 N -0.63 1.94 1.25 3.88 0.00 -1.13 0.90 103.07 109.27 1lfl h GLY 25 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1lfl h GLY 25 CO 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 176.54 176.20 1lfl h ALA 26 N 1.76 0.96 -0.44 3.60 0.00 -1.27 -1.82 119.26 122.04 1lfl h ALA 26 Ca 0.67 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1lfl h ALA 26 Cb 1.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1lfl h ALA 26 CO -0.50 0.62 -0.05 1.49 0.00 0.00 0.00 179.25 180.81 1lfl h GLU 27 N 0.82 0.82 -0.59 0.00 4.81 0.85 -1.32 114.58 119.97 1lfl h GLU 27 Ca 0.15 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1lfl h GLU 27 Cb 0.55 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1lfl h GLU 27 CO 0.03 0.91 0.33 0.00 -0.73 0.00 0.00 179.01 179.54 1lfl h ALA 28 N 0.88 0.77 -0.06 2.92 0.00 0.04 0.20 119.26 124.02 1lfl h ALA 28 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1lfl h ALA 28 Cb 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lfl h ALA 28 CO 0.03 0.01 0.04 -0.07 0.00 0.00 0.00 179.25 179.26 1lfl h LEU 29 N 0.63 0.07 -1.39 0.00 3.38 -1.11 -2.19 115.31 114.70 1lfl h LEU 29 Ca 0.25 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1lfl h LEU 29 Cb 0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1lfl h LEU 29 CO -0.15 0.07 0.44 -0.08 0.09 0.00 0.00 178.44 178.81 1lfl h GLU 30 N 0.07 0.78 -0.39 1.13 4.81 -0.43 -1.66 114.58 118.89 1lfl h GLU 30 Ca 0.02 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1lfl h GLU 30 Cb 0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1lfl h GLU 30 CO -0.00 0.51 -0.10 0.00 -0.73 0.00 0.00 179.01 178.69 1lfl h ARG 31 N 0.80 0.67 -0.04 1.92 3.08 -0.21 -3.00 114.38 117.60 1lfl h ARG 31 Ca 0.26 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1lfl h ARG 31 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1lfl h ARG 31 CO -0.07 0.75 -0.27 1.98 -1.07 0.00 0.00 179.97 181.29 1lfl h MET 32 N 0.61 0.26 0.00 0.04 4.05 -0.72 -1.14 114.93 118.03 1lfl h MET 32 Ca 0.11 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1lfl h MET 32 Cb 0.53 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1lfl h MET 32 CO 0.03 0.88 -0.09 0.74 0.23 0.00 0.00 176.91 178.71 1lfl h PHE 33 N -0.29 0.00 0.00 1.39 0.04 -1.42 0.41 116.94 117.08 1lfl h PHE 33 Ca -0.02 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.50 1lfl h PHE 33 Cb 0.94 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1lfl h PHE 33 CO 0.14 0.09 -1.54 -0.07 -0.60 0.00 0.00 178.31 176.33 1lfl h LEU 34 N 0.00 0.00 0.00 1.54 3.38 -1.50 -3.35 115.31 115.38 1lfl h LEU 34 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1lfl h LEU 34 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1lfl h LEU 34 CO 0.01 0.89 -1.74 -1.20 0.09 0.00 0.00 178.44 176.49 1lfl n SER 35 N -3.05 0.30 -3.50 -0.43 7.64 -0.44 -4.65 113.62 109.50 1lfl n SER 35 Ca -0.13 0.12 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 1lfl n SER 35 Cb 0.98 1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 65.37 1lfl n SER 35 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1lfl s PHE 36 N -3.28 1.59 0.31 1.43 0.40 0.14 -5.00 117.98 113.57 1lfl s PHE 36 Ca -0.06 -2.52 0.06 0.00 -0.60 0.00 0.00 56.93 53.81 1lfl s PHE 36 Cb 0.11 -1.28 0.86 0.00 0.51 0.00 0.00 43.02 43.22 1lfl s PHE 36 CO 0.86 -0.77 1.61 -1.35 0.70 0.00 0.00 175.22 176.27 1lfl h PRO 37 N 5.62 0.11 -0.31 0.24 0.11 -1.75 -0.51 132.00 135.51 1lfl h PRO 37 Ca 0.24 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.43 1lfl h PRO 37 Cb 0.88 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1lfl h PRO 37 CO 0.44 0.07 0.30 1.79 -0.21 0.00 0.00 178.00 180.39 1lfl h THR 38 N 0.11 0.51 0.00 -1.15 1.35 -1.92 0.00 112.91 111.81 1lfl h THR 38 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.49 1lfl h THR 38 Cb 1.39 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1lfl h THR 38 CO -0.76 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 174.86 1lfl n THR 39 N -3.91 0.53 0.15 6.82 -2.24 -0.20 -2.44 114.28 113.00 1lfl n THR 39 Ca 0.05 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1lfl n THR 39 Cb 0.45 -0.85 0.05 0.00 -2.10 0.00 0.00 70.33 67.88 1lfl n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lfl h LYS 40 N 0.00 0.00 -1.01 -0.78 1.57 -1.17 -3.29 116.57 111.89 1lfl h LYS 40 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 1lfl h LYS 40 Cb 0.18 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 1lfl h LYS 40 CO 0.00 0.37 0.66 1.79 -0.57 0.00 0.00 179.45 181.70 1lfl h THR 41 N 0.00 0.56 0.00 -0.16 1.35 -1.65 0.43 112.91 113.45 1lfl h THR 41 Ca -0.01 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1lfl h THR 41 Cb 1.30 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1lfl h THR 41 CO 0.05 0.06 0.00 -1.22 -0.25 0.00 0.00 175.52 174.16 1lfl n TYR 42 N -4.54 0.33 -3.05 4.73 4.01 -1.24 -3.48 117.16 113.92 1lfl n TYR 42 Ca 0.23 0.13 -0.25 0.00 -0.16 0.00 0.00 57.90 57.85 1lfl n TYR 42 Cb 0.86 -0.71 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1lfl n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfl n PHE 43 N -1.80 3.03 0.24 -0.72 3.01 0.15 -4.87 117.46 116.51 1lfl n PHE 43 Ca 0.03 -3.96 0.09 0.00 1.01 0.00 0.00 57.45 54.62 1lfl n PHE 43 Cb 0.21 -0.48 0.61 0.00 -0.01 0.00 0.00 39.48 39.81 1lfl n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfl h PRO 44 N 3.14 0.00 0.03 -1.08 0.13 -1.64 -3.19 132.00 129.39 1lfl h PRO 44 Ca 0.13 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.07 1lfl h PRO 44 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 1lfl h PRO 44 CO 0.74 0.18 -1.02 1.12 -0.23 0.00 0.00 178.00 178.79 1lfl h HIS 45 N 0.00 0.12 -2.02 1.56 2.07 -1.92 -3.49 115.15 111.47 1lfl h HIS 45 Ca -0.00 -0.09 -0.54 0.00 -2.85 0.00 0.00 60.37 56.89 1lfl h HIS 45 Cb 0.40 -0.00 0.24 0.00 2.57 0.00 0.00 27.41 30.62 1lfl h HIS 45 CO 0.00 1.40 -1.85 1.19 -3.07 0.00 0.00 177.93 175.60 1lfl n PHE 46 N -4.33 -4.74 -3.35 6.12 0.99 -1.21 -4.89 117.46 106.05 1lfl n PHE 46 Ca -0.25 0.02 -0.45 0.00 -0.00 0.00 0.00 57.45 56.77 1lfl n PHE 46 Cb 0.70 -1.45 -0.01 0.00 -1.00 0.00 0.00 39.48 37.72 1lfl n PHE 46 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1lfl s ASP 47 N -1.07 7.09 -0.16 4.37 -1.08 -1.26 -5.02 116.67 119.54 1lfl s ASP 47 Ca 0.41 -3.29 -0.29 0.00 -0.52 0.00 0.00 52.55 48.85 1lfl s ASP 47 Cb -0.16 -2.20 -0.01 0.00 -1.46 0.00 0.00 42.92 39.09 1lfl s ASP 47 CO 0.81 -0.38 1.18 -0.76 0.52 0.00 0.00 175.17 176.54 1lfl s LEU 48 N -0.78 4.18 0.00 -1.34 1.43 -1.26 -4.68 118.68 116.23 1lfl s LEU 48 Ca 0.26 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1lfl s LEU 48 Cb -0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1lfl s LEU 48 CO -0.08 -0.69 0.00 -1.54 0.23 0.00 0.00 176.35 174.27 1lfl n SER 49 N 6.18 0.00 -4.66 2.29 3.41 -1.26 -5.05 113.62 114.53 1lfl n SER 49 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1lfl n SER 49 Cb 0.46 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1lfl n SER 49 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1lfl s HIS 50 N -2.00 1.35 -1.19 7.33 2.46 -1.26 -2.41 115.29 119.57 1lfl s HIS 50 Ca 0.00 -0.43 -0.01 0.00 0.47 0.00 0.00 55.06 55.09 1lfl s HIS 50 Cb 0.00 -4.24 -0.01 0.00 -0.13 0.00 0.00 32.58 28.20 1lfl s HIS 50 CO 0.00 -5.54 0.97 0.41 -2.47 0.00 0.00 174.74 168.12 1lfl n GLY 51 N 4.52 -0.44 3.68 1.59 0.00 -1.26 -4.91 105.19 108.37 1lfl n GLY 51 Ca 0.20 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1lfl n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lfl s SER 52 N -4.26 6.71 0.66 1.61 0.15 -1.01 -4.86 113.70 112.71 1lfl s SER 52 Ca 0.05 2.28 0.38 0.00 0.70 0.00 0.00 55.95 59.37 1lfl s SER 52 Cb -0.01 -2.56 2.10 0.00 -1.71 0.00 0.00 66.02 63.85 1lfl s SER 52 CO 0.74 -0.83 2.20 0.00 1.20 0.00 0.00 173.24 176.55 1lfl h ALA 53 N 8.35 1.17 0.11 5.45 0.00 -1.91 -1.04 119.26 131.40 1lfl h ALA 53 Ca -0.40 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 1lfl h ALA 53 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1lfl h ALA 53 CO 0.92 -0.14 -1.84 1.96 0.00 0.00 0.00 179.25 180.16 1lfl h GLN 54 N 0.00 0.24 -0.15 0.00 4.20 -1.89 -3.33 115.11 114.19 1lfl h GLN 54 Ca 0.00 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.31 1lfl h GLN 54 Cb 0.26 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1lfl h GLN 54 CO -0.00 1.20 0.06 0.28 -0.67 0.00 0.00 178.83 179.70 1lfl h VAL 55 N -0.10 0.97 -0.20 -0.54 2.07 -1.56 -0.36 116.25 116.54 1lfl h VAL 55 Ca -0.40 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1lfl h VAL 55 Cb 1.92 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1lfl h VAL 55 CO 0.05 0.03 0.45 0.11 0.02 0.00 0.00 177.57 178.23 1lfl h LYS 56 N 0.14 0.00 0.00 1.57 1.57 -1.40 0.39 116.57 118.84 1lfl h LYS 56 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1lfl h LYS 56 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1lfl h LYS 56 CO -0.06 0.00 -0.53 0.78 -0.57 0.00 0.00 179.45 179.07 1lfl h GLY 57 N 0.00 0.00 2.00 3.86 0.00 -1.20 -3.33 103.07 104.41 1lfl h GLY 57 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1lfl h GLY 57 CO -0.00 0.00 -0.01 0.84 0.00 0.00 0.00 176.54 177.37 1lfl h HIS 58 N -1.00 0.00 -0.24 5.60 -0.00 -0.50 -2.01 115.15 116.99 1lfl h HIS 58 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.23 1lfl h HIS 58 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 1lfl h HIS 58 CO 0.05 0.01 0.05 0.78 -0.00 0.00 0.00 177.93 178.83 1lfl h GLY 59 N 0.13 0.42 0.47 5.26 0.00 -1.10 -3.06 103.07 105.18 1lfl h GLY 59 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1lfl h GLY 59 CO 0.00 0.25 -0.05 0.50 0.00 0.00 0.00 176.54 177.24 1lfl h LYS 60 N 0.21 0.02 -0.83 4.80 1.57 -1.47 -0.17 116.57 120.71 1lfl h LYS 60 Ca 0.07 -0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.06 1lfl h LYS 60 Cb 0.29 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1lfl h LYS 60 CO 0.00 0.02 0.57 0.87 -0.57 0.00 0.00 179.45 180.33 1lfl h LYS 61 N 0.02 0.22 0.00 3.15 1.57 -1.48 -0.83 116.57 119.22 1lfl h LYS 61 Ca 0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1lfl h LYS 61 Cb 0.20 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1lfl h LYS 61 CO -0.27 0.14 -0.07 0.28 -0.57 0.00 0.00 179.45 178.97 1lfl h VAL 62 N 0.22 1.73 -0.47 0.50 2.07 -1.06 -2.04 116.25 117.20 1lfl h VAL 62 Ca 0.41 -2.32 0.10 0.00 0.82 0.00 0.00 66.70 65.71 1lfl h VAL 62 Cb 1.27 3.29 -0.09 0.00 -1.52 0.00 0.00 31.29 34.24 1lfl h VAL 62 CO -0.09 0.59 -0.15 0.00 0.02 0.00 0.00 177.57 177.93 1lfl h ALA 63 N -0.04 0.26 -0.44 1.67 0.00 -0.46 0.51 119.26 120.76 1lfl h ALA 63 Ca -0.02 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1lfl h ALA 63 Cb 1.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1lfl h ALA 63 CO -0.01 -0.48 -0.04 -0.44 0.00 0.00 0.00 179.25 178.28 1lfl h ASP 64 N -0.04 0.79 -0.90 0.00 3.32 -1.30 1.06 116.42 119.35 1lfl h ASP 64 Ca 0.23 -0.33 0.12 0.00 0.02 0.00 0.00 57.03 57.07 1lfl h ASP 64 Cb 0.39 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1lfl h ASP 64 CO -0.51 0.93 0.58 0.00 -1.72 0.00 0.00 179.24 178.52 1lfl h ALA 65 N 0.89 1.72 -0.00 3.45 0.00 -0.42 0.12 119.26 125.01 1lfl h ALA 65 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1lfl h ALA 65 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1lfl h ALA 65 CO 0.03 0.07 -0.08 -0.07 0.00 0.00 0.00 179.25 179.20 1lfl h LEU 66 N 0.80 0.07 -1.17 0.00 3.38 0.60 -2.78 115.31 116.21 1lfl h LEU 66 Ca 0.44 -0.78 0.32 0.00 0.09 0.00 0.00 57.88 57.95 1lfl h LEU 66 Cb 0.56 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 1lfl h LEU 66 CO -0.20 0.84 0.65 0.74 0.09 0.00 0.00 178.44 180.57 1lfl h THR 67 N -0.68 0.36 -0.08 0.22 2.02 0.22 0.18 112.91 115.15 1lfl h THR 67 Ca -0.01 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 66.85 1lfl h THR 67 Cb 0.85 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1lfl h THR 67 CO 0.02 0.06 -0.74 -1.13 0.37 0.00 0.00 175.52 174.09 1lfl h ASN 68 N 0.33 0.79 -0.67 4.18 -1.24 -0.82 -3.23 115.58 114.92 1lfl h ASN 68 Ca 0.70 -0.68 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 1lfl h ASN 68 Cb 1.74 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 40.53 1lfl h ASN 68 CO -0.47 1.35 0.32 0.00 -1.29 0.00 0.00 177.43 177.34 1lfl h ALA 69 N 0.45 0.87 -0.47 1.57 0.00 -0.41 -1.87 119.26 119.40 1lfl h ALA 69 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1lfl h ALA 69 Cb 1.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1lfl h ALA 69 CO 0.15 0.44 0.32 0.28 0.00 0.00 0.00 179.25 180.43 1lfl h VAL 70 N 0.94 0.92 0.00 0.00 2.07 -1.27 0.65 116.25 119.56 1lfl h VAL 70 Ca 0.23 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 1lfl h VAL 70 Cb 0.12 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1lfl h VAL 70 CO -0.03 0.06 -0.53 0.00 0.02 0.00 0.00 177.57 177.09 1lfl h ALA 71 N 1.76 0.96 -0.35 1.67 0.00 -1.37 -3.18 119.26 118.75 1lfl h ALA 71 Ca 0.21 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1lfl h ALA 71 Cb 0.42 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1lfl h ALA 71 CO -0.05 0.66 -0.04 0.72 0.00 0.00 0.00 179.25 180.54 1lfl n HIS 72 N -3.67 1.10 0.16 0.00 8.25 0.06 -4.73 115.22 116.39 1lfl n HIS 72 Ca -0.01 -1.45 0.05 0.00 -0.26 0.00 0.00 57.72 56.05 1lfl n HIS 72 Cb 0.58 -0.47 0.26 0.00 1.12 0.00 0.00 29.99 31.49 1lfl n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1lfl n VAL 73 N -1.01 0.46 -0.01 1.59 3.14 -0.24 0.13 118.33 122.39 1lfl n VAL 73 Ca 0.31 0.74 -0.08 0.00 -2.96 0.00 0.00 64.34 62.35 1lfl n VAL 73 Cb 1.02 -1.74 -0.14 0.00 -1.06 0.00 0.00 33.84 31.93 1lfl n VAL 73 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1lfl h ASP 74 N 0.00 0.01 -2.22 6.55 3.32 -1.86 -3.42 116.42 118.80 1lfl h ASP 74 Ca 0.00 -0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.54 1lfl h ASP 74 Cb 0.83 -0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.03 1lfl h ASP 74 CO 0.00 1.01 -0.83 -0.62 -1.72 0.00 0.00 179.24 177.09 1lfl s ASP 75 N -6.22 1.61 0.03 6.45 -1.08 0.35 -5.00 116.67 112.81 1lfl s ASP 75 Ca -0.04 -2.31 -0.06 0.00 -0.52 0.00 0.00 52.55 49.62 1lfl s ASP 75 Cb 0.08 0.02 -0.30 0.00 -1.46 0.00 0.00 42.92 41.26 1lfl s ASP 75 CO 0.82 -0.23 0.98 0.24 0.52 0.00 0.00 175.17 177.51 1lfl h MET 76 N 6.39 0.32 -0.40 4.34 2.86 -1.75 -3.29 114.93 123.40 1lfl h MET 76 Ca 0.13 -0.55 0.08 0.00 -2.06 0.00 0.00 59.70 57.30 1lfl h MET 76 Cb 0.98 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.76 1lfl h MET 76 CO 0.26 1.23 -0.23 -1.35 1.06 0.00 0.00 176.91 177.88 1lfl h PRO 77 N 0.09 -0.15 0.00 -0.22 0.11 -1.94 0.25 132.00 130.14 1lfl h PRO 77 Ca -0.21 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1lfl h PRO 77 Cb 2.04 0.03 0.00 0.00 0.11 0.00 0.00 31.00 33.18 1lfl h PRO 77 CO 0.20 -0.10 0.00 -2.95 -0.21 0.00 0.00 178.00 174.94 1lfl h ASN 78 N -0.16 0.00 0.34 -2.05 -1.07 -1.99 -0.31 115.58 110.35 1lfl h ASN 78 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.24 1lfl h ASN 78 Cb 0.46 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.73 1lfl h ASN 78 CO -0.50 0.00 -1.50 0.00 0.07 0.00 0.00 177.43 175.50 1lfl h ALA 79 N 2.17 0.00 -0.01 4.14 0.00 -1.26 -3.33 119.26 120.97 1lfl h ALA 79 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1lfl h ALA 79 Cb 0.74 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lfl h ALA 79 CO 0.00 0.87 -0.45 1.28 0.00 0.00 0.00 179.25 180.95 1lfl n LEU 80 N -3.62 1.94 -0.30 0.00 4.77 0.76 -4.53 117.00 116.01 1lfl n LEU 80 Ca -0.17 -0.71 0.06 0.00 -0.03 0.00 0.00 56.01 55.16 1lfl n LEU 80 Cb 1.08 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 42.31 1lfl n LEU 80 CO 0.56 0.36 0.73 -1.28 -1.33 0.00 0.00 177.39 176.44 1lfl h SER 81 N 2.34 -0.67 0.28 -1.43 0.87 -1.16 0.39 113.55 114.18 1lfl h SER 81 Ca 0.00 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1lfl h SER 81 Cb 0.73 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1lfl h SER 81 CO 0.00 -0.28 -0.37 0.00 -0.53 0.00 0.00 176.83 175.65 1lfl h ALA 82 N 1.86 -0.99 0.00 6.23 0.00 -1.82 -1.91 119.26 122.62 1lfl h ALA 82 Ca 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1lfl h ALA 82 Cb 0.76 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1lfl h ALA 82 CO -0.86 -1.03 0.00 1.47 0.00 0.00 0.00 179.25 178.83 1lfl n LEU 83 N -4.59 0.00 0.10 0.00 -0.00 -0.92 -3.14 117.00 108.45 1lfl n LEU 83 Ca -0.08 0.16 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 1lfl n LEU 83 Cb 0.32 -0.16 -0.08 0.00 -0.00 0.00 0.00 43.42 43.49 1lfl n LEU 83 CO 0.16 -0.04 0.64 -1.28 -0.00 0.00 0.00 177.39 176.87 1lfl h SER 84 N 0.00 -0.21 -0.47 1.45 0.87 0.60 -3.18 113.55 112.61 1lfl h SER 84 Ca 0.00 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1lfl h SER 84 Cb 0.12 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1lfl h SER 84 CO 0.00 0.10 0.22 0.44 -0.53 0.00 0.00 176.83 177.06 1lfl h ASP 85 N -0.55 0.66 -0.49 6.23 3.45 -1.48 -3.08 116.42 121.16 1lfl h ASP 85 Ca -0.03 -0.07 0.09 0.00 0.43 0.00 0.00 57.03 57.46 1lfl h ASP 85 Cb 0.41 -0.17 -0.10 0.00 -0.56 0.00 0.00 39.33 38.91 1lfl h ASP 85 CO 0.04 0.58 -0.30 0.25 -1.57 0.00 0.00 179.24 178.24 1lfl h LEU 86 N 0.72 -1.02 -0.12 1.55 5.85 -1.65 -1.41 115.31 119.23 1lfl h LEU 86 Ca 0.18 0.20 -0.20 0.00 0.84 0.00 0.00 57.88 58.89 1lfl h LEU 86 Cb 0.12 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1lfl h LEU 86 CO -0.02 -0.30 -0.96 0.45 -0.34 0.00 0.00 178.44 177.28 1lfl h HIS 87 N -0.18 0.08 0.76 1.25 3.86 -1.64 -0.82 115.15 118.45 1lfl h HIS 87 Ca 0.21 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1lfl h HIS 87 Cb 0.53 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.00 1lfl h HIS 87 CO -0.56 0.97 -0.36 0.00 0.86 0.00 0.00 177.93 178.84 1lfl h ALA 88 N 1.01 -1.01 0.00 2.45 0.00 -1.34 1.10 119.26 121.47 1lfl h ALA 88 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1lfl h ALA 88 Cb 1.67 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1lfl h ALA 88 CO 0.13 -0.96 -0.13 0.45 0.00 0.00 0.00 179.25 178.73 1lfl h HIS 89 N -1.23 0.00 0.71 0.00 3.86 -1.44 -3.36 115.15 113.69 1lfl h HIS 89 Ca -0.10 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1lfl h HIS 89 Cb 0.79 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.27 1lfl h HIS 89 CO -0.00 0.00 -0.34 -0.22 0.86 0.00 0.00 177.93 178.23 1lfl h LYS 90 N -0.48 -0.92 -0.10 2.45 1.63 -1.66 -3.37 116.57 114.12 1lfl h LYS 90 Ca 0.00 0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1lfl h LYS 90 Cb 0.13 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1lfl h LYS 90 CO 0.00 -0.61 -0.16 -0.07 -3.45 0.00 0.00 179.45 175.15 1lfl h LEU 91 N -1.16 0.31 -2.48 5.20 3.38 -1.25 -3.49 115.31 115.82 1lfl h LEU 91 Ca -0.10 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1lfl h LEU 91 Cb 0.73 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1lfl h LEU 91 CO 0.16 0.80 -0.39 0.54 0.09 0.00 0.00 178.44 179.64 1lfl n ARG 92 N -4.57 -1.91 -3.80 1.13 1.74 0.38 -4.98 116.66 104.64 1lfl n ARG 92 Ca -0.07 1.78 -0.36 0.00 -0.77 0.00 0.00 57.85 58.42 1lfl n ARG 92 Cb 0.39 -5.30 -0.12 0.00 -1.02 0.00 0.00 32.46 26.41 1lfl n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1lfl s VAL 93 N -2.70 4.53 0.06 1.55 1.01 -1.22 -5.05 120.40 118.59 1lfl s VAL 93 Ca 0.15 -0.10 -0.35 0.00 0.00 0.00 0.00 61.98 61.68 1lfl s VAL 93 Cb -0.04 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.09 1lfl s VAL 93 CO 0.78 0.35 1.58 -0.67 0.00 0.00 0.00 175.10 177.14 1lfl n ASP 94 N 4.64 2.69 -0.32 3.32 2.03 -1.26 -4.81 116.55 122.84 1lfl n ASP 94 Ca -0.16 1.07 0.22 0.00 0.52 0.00 0.00 54.79 56.44 1lfl n ASP 94 Cb 0.52 -1.33 0.43 0.00 -0.72 0.00 0.00 41.12 40.01 1lfl n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1lfl h PRO 95 N 6.20 0.15 -1.24 -0.67 0.11 -2.01 -1.17 132.00 133.36 1lfl h PRO 95 Ca -0.46 -0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.00 1lfl h PRO 95 Cb 1.28 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 1lfl h PRO 95 CO 0.87 0.10 0.84 -0.24 -0.21 0.00 0.00 178.00 179.37 1lfl h VAL 96 N 0.15 0.34 0.00 3.15 3.04 -2.04 -0.22 116.25 120.67 1lfl h VAL 96 Ca 0.69 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 66.32 1lfl h VAL 96 Cb 1.61 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1lfl h VAL 96 CO -0.72 0.03 -0.06 0.78 -1.01 0.00 0.00 177.57 176.59 1lfl h ASN 97 N 0.15 0.00 0.69 3.17 2.35 -1.56 -2.79 115.58 117.60 1lfl h ASN 97 Ca 0.67 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.32 1lfl h ASN 97 Cb 2.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.58 1lfl h ASN 97 CO -0.21 0.06 -0.49 -0.26 -1.65 0.00 0.00 177.43 174.89 1lfl h PHE 98 N 0.00 0.00 -0.11 1.19 0.04 -1.23 -2.79 116.94 114.04 1lfl h PHE 98 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 1lfl h PHE 98 Cb 0.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1lfl h PHE 98 CO 0.00 0.49 -0.72 1.57 -0.60 0.00 0.00 178.31 179.05 1lfl h LYS 99 N 0.00 0.52 -0.12 1.51 2.10 -1.65 -1.88 116.57 117.07 1lfl h LYS 99 Ca -0.00 -0.41 -0.06 0.00 -2.00 0.00 0.00 60.65 58.17 1lfl h LYS 99 Cb 0.97 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1lfl h LYS 99 CO 0.06 1.04 -0.21 -0.07 -2.00 0.00 0.00 179.45 178.28 1lfl h LEU 100 N 0.36 0.19 -0.00 7.07 3.38 -1.58 -1.41 115.31 123.31 1lfl h LEU 100 Ca -0.03 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1lfl h LEU 100 Cb 1.30 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.01 1lfl h LEU 100 CO 0.13 0.41 -0.58 0.25 0.09 0.00 0.00 178.44 178.74 1lfl h LEU 101 N 0.18 0.52 -1.02 1.67 5.85 -1.41 -2.95 115.31 118.14 1lfl h LEU 101 Ca 0.03 -0.76 0.09 0.00 0.84 0.00 0.00 57.88 58.09 1lfl h LEU 101 Cb 0.48 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1lfl h LEU 101 CO 0.03 1.21 0.64 0.28 -0.34 0.00 0.00 178.44 180.26 1lfl h SER 102 N -0.12 0.98 -0.47 1.25 0.02 -1.01 0.01 113.55 114.21 1lfl h SER 102 Ca -0.07 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1lfl h SER 102 Cb 1.29 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1lfl h SER 102 CO 0.11 0.58 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.44 1lfl h HIS 103 N 1.08 1.12 0.00 3.45 -0.00 -1.32 -0.93 115.15 118.55 1lfl h HIS 103 Ca 0.46 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1lfl h HIS 103 Cb 0.33 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1lfl h HIS 103 CO -0.00 1.08 -0.08 0.00 -0.00 0.00 0.00 177.93 178.94 1lfl h LEU 105 N 0.00 -0.40 -0.77 0.00 5.85 -0.64 -1.31 115.31 118.03 1lfl h LEU 105 Ca -0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1lfl h LEU 105 Cb 0.69 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.69 1lfl h LEU 105 CO 0.01 0.01 0.09 -0.07 -0.34 0.00 0.00 178.44 178.14 1lfl h LEU 106 N -1.06 -0.20 -0.05 2.25 4.07 -1.07 0.63 115.31 119.88 1lfl h LEU 106 Ca -0.05 0.18 0.03 0.00 0.08 0.00 0.00 57.88 58.12 1lfl h LEU 106 Cb 0.36 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 1lfl h LEU 106 CO 0.08 -0.14 -0.15 0.58 -1.08 0.00 0.00 178.44 177.73 1lfl h VAL 107 N 0.16 0.62 -0.66 1.22 2.07 -0.97 0.20 116.25 118.89 1lfl h VAL 107 Ca 0.43 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.97 1lfl h VAL 107 Cb 0.78 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1lfl h VAL 107 CO -0.62 0.00 0.43 0.74 0.02 0.00 0.00 177.57 178.14 1lfl h THR 108 N -0.22 1.15 0.00 2.57 2.02 0.55 -1.46 112.91 117.52 1lfl h THR 108 Ca 0.07 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1lfl h THR 108 Cb 0.32 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1lfl h THR 108 CO -0.19 0.16 0.00 0.25 0.37 0.00 0.00 175.52 176.11 1lfl h LEU 109 N 0.87 0.00 0.06 2.58 5.85 0.69 -2.93 115.31 122.43 1lfl h LEU 109 Ca 0.25 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.66 1lfl h LEU 109 Cb -0.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1lfl h LEU 109 CO -0.06 0.00 -1.67 0.00 -0.34 0.00 0.00 178.44 176.37 1lfl h ALA 110 N 2.00 0.55 -0.01 1.25 0.00 0.40 -2.95 119.26 120.50 1lfl h ALA 110 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1lfl h ALA 110 Cb 0.37 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1lfl h ALA 110 CO 0.00 1.39 0.00 0.00 0.00 0.00 0.00 179.25 180.64 1lfl n ALA 111 N -2.66 2.60 0.00 0.00 0.00 -0.80 -3.55 120.51 116.10 1lfl n ALA 111 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1lfl n ALA 111 Cb 1.04 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1lfl n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 112 N -0.70 0.00 -3.02 0.00 -0.00 -1.17 -4.86 115.22 105.46 1lfl n HIS 112 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.63 1lfl n HIS 112 Cb 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.04 1lfl n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfl n LEU 113 N -0.91 3.15 0.33 2.41 4.77 -1.11 -4.91 117.00 120.73 1lfl n LEU 113 Ca 0.00 -5.42 0.17 0.00 -0.03 0.00 0.00 56.01 50.72 1lfl n LEU 113 Cb 0.00 -0.09 0.91 0.00 -2.33 0.00 0.00 43.42 41.91 1lfl n LEU 113 CO 0.00 2.33 1.14 1.55 -1.33 0.00 0.00 177.39 181.07 1lfl h PRO 114 N 2.98 0.00 0.00 3.23 0.13 -1.87 0.17 132.00 136.64 1lfl h PRO 114 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1lfl h PRO 114 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1lfl h PRO 114 CO 0.70 0.00 -1.31 0.00 -0.23 0.00 0.00 178.00 177.16 1lfl n ALA 115 N -1.93 3.54 -0.02 -0.56 0.00 -1.26 -4.55 120.51 115.73 1lfl n ALA 115 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 53.44 52.97 1lfl n ALA 115 Cb 0.31 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 1lfl n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lfl n GLU 116 N -1.76 0.99 -2.63 0.00 4.71 -0.50 -4.79 120.64 116.66 1lfl n GLU 116 Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.16 56.65 1lfl n GLU 116 Cb 0.37 -1.29 -0.00 0.00 -1.01 0.00 0.00 31.44 29.51 1lfl n GLU 116 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1lfl s PHE 117 N -2.64 2.84 0.37 -0.32 5.36 0.46 -4.66 117.98 119.39 1lfl s PHE 117 Ca -0.05 -1.58 0.07 0.00 -0.96 0.00 0.00 56.93 54.42 1lfl s PHE 117 Cb 0.06 -4.69 -0.00 0.00 -0.34 0.00 0.00 43.02 38.05 1lfl s PHE 117 CO 0.48 -1.77 0.48 0.95 -1.46 0.00 0.00 175.22 173.90 1lfl s THR 118 N 4.00 3.63 0.57 0.12 -4.23 -1.26 -4.86 115.64 113.60 1lfl s THR 118 Ca 0.51 -1.04 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1lfl s THR 118 Cb 0.03 -3.25 0.40 0.00 1.34 0.00 0.00 72.50 71.02 1lfl s THR 118 CO 0.04 -0.10 1.94 -0.65 -0.54 0.00 0.00 174.62 175.31 1lfl h PRO 119 N 0.84 0.00 0.07 3.99 0.11 -1.98 0.14 132.00 135.17 1lfl h PRO 119 Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1lfl h PRO 119 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1lfl h PRO 119 CO 0.51 0.00 -0.78 0.00 -0.21 0.00 0.00 178.00 177.51 1lfl h ALA 120 N 1.58 0.07 -0.59 -0.75 0.00 -1.95 -2.40 119.26 115.22 1lfl h ALA 120 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1lfl h ALA 120 Cb 1.15 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1lfl h ALA 120 CO -0.00 0.43 0.15 0.28 0.00 0.00 0.00 179.25 180.10 1lfl h VAL 121 N -0.66 1.24 0.52 0.00 2.07 -1.72 -0.53 116.25 117.16 1lfl h VAL 121 Ca -0.17 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1lfl h VAL 121 Cb 1.41 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1lfl h VAL 121 CO 0.02 0.32 -0.26 -0.74 0.02 0.00 0.00 177.57 176.93 1lfl h HIS 122 N 0.88 -0.67 0.00 1.57 6.17 -0.86 0.28 115.15 122.52 1lfl h HIS 122 Ca 0.19 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 1lfl h HIS 122 Cb 0.31 0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.46 1lfl h HIS 122 CO 0.02 -0.41 -0.02 0.00 0.71 0.00 0.00 177.93 178.23 1lfl h ALA 123 N -0.22 1.48 0.09 5.26 0.00 -1.10 -2.06 119.26 122.70 1lfl h ALA 123 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1lfl h ALA 123 Cb 0.55 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1lfl h ALA 123 CO 0.11 0.02 -0.57 0.77 0.00 0.00 0.00 179.25 179.58 1lfl h SER 124 N 0.00 0.35 -0.24 0.00 0.02 -0.17 -3.07 113.55 110.44 1lfl h SER 124 Ca -0.00 -0.94 -0.04 0.00 -0.84 0.00 0.00 61.79 59.97 1lfl h SER 124 Cb 0.05 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1lfl h SER 124 CO 0.00 1.26 0.04 -0.07 -1.14 0.00 0.00 176.83 176.92 1lfl h LEU 125 N -0.50 0.46 -0.35 5.07 3.38 -0.11 0.22 115.31 123.48 1lfl h LEU 125 Ca -0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1lfl h LEU 125 Cb 1.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1lfl h LEU 125 CO 0.11 0.50 -0.01 -0.78 0.09 0.00 0.00 178.44 178.34 1lfl h ASP 126 N 0.48 0.62 -0.63 -0.43 3.58 -1.49 0.25 116.42 118.81 1lfl h ASP 126 Ca 0.11 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 1lfl h ASP 126 Cb 0.25 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1lfl h ASP 126 CO 0.00 0.78 0.07 0.11 -2.88 0.00 0.00 179.24 177.33 1lfl h LYS 127 N 0.43 1.08 0.74 0.28 1.57 -1.35 -2.08 116.57 117.24 1lfl h LYS 127 Ca 0.10 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1lfl h LYS 127 Cb 0.48 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1lfl h LYS 127 CO 0.02 1.01 -0.36 0.35 -0.57 0.00 0.00 179.45 179.90 1lfl h PHE 128 N 1.00 -0.92 -0.06 -1.35 3.57 -0.24 -2.32 116.94 116.62 1lfl h PHE 128 Ca 0.19 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1lfl h PHE 128 Cb 0.48 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1lfl h PHE 128 CO 0.03 -0.55 0.07 -0.07 -2.23 0.00 0.00 178.31 175.56 1lfl h LEU 129 N -1.11 0.00 -0.16 0.59 3.38 -0.47 0.33 115.31 117.87 1lfl h LEU 129 Ca -0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1lfl h LEU 129 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1lfl h LEU 129 CO 0.17 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.28 1lfl h ALA 130 N 1.91 0.76 -0.07 1.53 0.00 -1.27 -2.37 119.26 119.75 1lfl h ALA 130 Ca 0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1lfl h ALA 130 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lfl h ALA 130 CO -0.00 0.52 -0.28 0.77 0.00 0.00 0.00 179.25 180.26 1lfl h SER 131 N 0.00 0.37 -0.38 0.00 0.02 0.19 -1.38 113.55 112.37 1lfl h SER 131 Ca -0.00 -0.63 0.01 0.00 -0.84 0.00 0.00 61.79 60.32 1lfl h SER 131 Cb 1.26 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1lfl h SER 131 CO 0.05 0.94 0.25 0.58 -1.14 0.00 0.00 176.83 177.51 1lfl h VAL 132 N -0.17 1.09 -0.70 2.27 2.07 -1.30 -1.17 116.25 118.34 1lfl h VAL 132 Ca -0.01 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1lfl h VAL 132 Cb 0.92 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1lfl h VAL 132 CO 0.06 0.09 0.42 0.28 0.02 0.00 0.00 177.57 178.44 1lfl h SER 133 N 0.50 0.66 -0.95 0.57 0.02 -1.45 0.18 113.55 113.10 1lfl h SER 133 Ca 0.14 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.24 1lfl h SER 133 Cb -0.05 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.29 1lfl h SER 133 CO -0.04 0.44 0.60 0.74 -1.14 0.00 0.00 176.83 177.44 1lfl h THR 134 N 0.79 0.88 0.00 -2.27 2.02 -0.23 -2.25 112.91 111.86 1lfl h THR 134 Ca 0.29 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1lfl h THR 134 Cb 0.10 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1lfl h THR 134 CO -0.14 0.15 -0.00 0.58 0.37 0.00 0.00 175.52 176.48 1lfl h VAL 135 N 0.85 1.69 0.00 3.16 2.07 0.05 -2.94 116.25 121.13 1lfl h VAL 135 Ca 0.47 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1lfl h VAL 135 Cb 0.60 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1lfl h VAL 135 CO -0.24 0.53 0.08 0.18 0.02 0.00 0.00 177.57 178.14 1lfl n LEU 136 N -4.67 0.00 -0.02 2.57 7.99 0.48 -0.58 117.00 122.77 1lfl n LEU 136 Ca -0.10 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1lfl n LEU 136 Cb 0.42 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1lfl n LEU 136 CO 0.34 -0.33 0.36 0.41 -1.51 0.00 0.00 177.39 176.66 1lfl n THR 137 N -1.31 0.42 -0.10 -5.08 -1.04 -0.87 -4.61 114.28 101.69 1lfl n THR 137 Ca 0.00 -0.71 -0.06 0.00 -2.04 0.00 0.00 64.05 61.24 1lfl n THR 137 Cb 0.08 0.79 0.01 0.00 -1.82 0.00 0.00 70.33 69.40 1lfl n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1lfl h SER 138 N 0.07 0.02 -0.42 8.00 0.02 -0.65 -2.97 113.55 117.63 1lfl h SER 138 Ca 0.00 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1lfl h SER 138 Cb 0.22 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1lfl h SER 138 CO 0.00 0.05 0.12 0.29 -1.14 0.00 0.00 176.83 176.15 1lfl n LYS 139 N -5.09 2.84 0.13 3.45 5.02 -1.26 -4.44 118.16 118.81 1lfl n LYS 139 Ca 0.01 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 1lfl n LYS 139 Cb 0.15 -1.88 0.30 0.00 -0.02 0.00 0.00 35.03 33.59 1lfl n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1lfl h TYR 140 N 1.82 0.16 0.00 2.13 0.99 -1.87 -3.45 116.97 116.75 1lfl h TYR 140 Ca 0.12 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1lfl h TYR 140 Cb 1.61 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 39.30 1lfl h TYR 140 CO 0.74 0.48 0.00 2.89 -0.00 0.00 0.00 178.16 182.27