#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w6v s LEU 2 N 0.00 4.23 0.63 6.55 1.43 -1.26 -5.04 118.68 125.23 2w6v s LEU 2 Ca 0.00 1.70 -0.09 0.00 -1.03 0.00 0.00 54.13 54.70 2w6v s LEU 2 Cb 0.00 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 2w6v s LEU 2 CO 0.00 -0.62 1.00 -0.94 0.23 0.00 0.00 176.35 176.02 2w6v s SER 3 N 1.52 5.79 0.25 2.29 1.04 -1.26 -4.84 113.70 118.49 2w6v s SER 3 Ca 0.53 1.10 -0.05 0.00 0.48 0.00 0.00 55.95 58.01 2w6v s SER 3 Cb -0.22 -2.07 0.46 0.00 0.10 0.00 0.00 66.02 64.29 2w6v s SER 3 CO 0.18 -1.06 1.67 -0.65 0.98 0.00 0.00 173.24 174.36 2w6v h PRO 4 N -0.36 0.21 -0.72 4.02 0.11 -2.00 -0.57 132.00 132.70 2w6v h PRO 4 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2w6v h PRO 4 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2w6v h PRO 4 CO 0.62 0.14 0.30 0.00 -0.21 0.00 0.00 178.00 178.86 2w6v h ALA 5 N 1.64 1.18 -0.29 -0.75 0.00 -1.99 -1.90 119.26 117.14 2w6v h ALA 5 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2w6v h ALA 5 Cb 0.73 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2w6v h ALA 5 CO -0.55 0.60 0.16 -0.44 0.00 0.00 0.00 179.25 179.02 2w6v h ASP 6 N 1.03 0.36 -0.62 0.00 3.32 -1.57 -0.66 116.42 118.29 2w6v h ASP 6 Ca 0.24 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2w6v h ASP 6 Cb 0.17 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2w6v h ASP 6 CO -0.02 0.34 0.40 0.11 -1.72 0.00 0.00 179.24 178.34 2w6v h LYS 7 N 0.35 0.78 -0.27 3.56 1.57 -0.93 -0.38 116.57 121.25 2w6v h LYS 7 Ca 0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2w6v h LYS 7 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2w6v h LYS 7 CO -0.02 0.51 0.14 1.15 -0.57 0.00 0.00 179.45 180.67 2w6v h THR 8 N 0.80 1.01 -0.41 -0.16 2.02 -1.12 -1.00 112.91 114.04 2w6v h THR 8 Ca 0.23 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2w6v h THR 8 Cb -0.05 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2w6v h THR 8 CO -0.07 0.05 0.20 0.78 0.37 0.00 0.00 175.52 176.86 2w6v h ASN 9 N 0.30 0.53 -0.05 4.18 2.35 -0.72 -0.51 115.58 121.66 2w6v h ASN 9 Ca 0.11 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2w6v h ASN 9 Cb 0.01 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2w6v h ASN 9 CO -0.06 0.50 0.03 0.58 -1.65 0.00 0.00 177.43 176.83 2w6v h VAL 10 N 0.52 1.03 -0.69 2.81 2.07 -0.92 -0.77 116.25 120.31 2w6v h VAL 10 Ca 0.14 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2w6v h VAL 10 Cb 0.11 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2w6v h VAL 10 CO -0.02 0.03 0.27 0.11 0.02 0.00 0.00 177.57 177.98 2w6v h LYS 11 N 0.04 1.03 0.15 1.57 1.57 -1.04 0.23 116.57 120.11 2w6v h LYS 11 Ca 0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2w6v h LYS 11 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2w6v h LYS 11 CO -0.00 0.86 -0.13 0.00 -0.57 0.00 0.00 179.45 179.60 2w6v h ALA 12 N 1.12 -0.27 -0.15 3.86 0.00 -0.90 0.18 119.26 123.09 2w6v h ALA 12 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2w6v h ALA 12 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2w6v h ALA 12 CO -0.02 -0.67 0.09 0.00 0.00 0.00 0.00 179.25 178.66 2w6v h ALA 13 N 0.53 0.20 0.00 0.00 0.00 -0.96 -1.66 119.26 117.37 2w6v h ALA 13 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2w6v h ALA 13 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2w6v h ALA 13 CO -0.02 -0.30 -0.39 2.35 0.00 0.00 0.00 179.25 180.89 2w6v h TRP 14 N 0.18 0.00 -0.10 0.00 2.91 -0.90 -1.82 115.95 116.23 2w6v h TRP 14 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2w6v h TRP 14 Cb 0.02 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2w6v h TRP 14 CO -0.06 0.39 0.05 0.78 -1.03 0.00 0.00 178.44 178.58 2w6v h GLY 15 N 1.25 0.13 0.96 2.65 0.00 -0.28 -2.31 103.07 105.47 2w6v h GLY 15 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2w6v h GLY 15 CO 0.05 0.04 0.57 1.70 0.00 0.00 0.00 176.54 178.90 2w6v h LYS 16 N 0.12 1.12 -0.29 4.80 1.63 -0.83 -2.61 116.57 120.50 2w6v h LYS 16 Ca 0.04 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2w6v h LYS 16 Cb -0.00 -0.25 -0.06 0.00 -0.60 0.00 0.00 32.23 31.31 2w6v h LYS 16 CO -0.02 0.74 -0.13 0.28 -3.45 0.00 0.00 179.45 176.87 2w6v h VAL 17 N 1.15 0.58 0.00 2.00 2.07 -1.15 -3.46 116.25 117.44 2w6v h VAL 17 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2w6v h VAL 17 Cb -0.09 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2w6v h VAL 17 CO -0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.11 2w6v n GLY 18 N -1.31 3.63 0.05 2.17 0.00 -0.89 -1.91 105.19 106.93 2w6v n GLY 18 Ca -0.00 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2w6v n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w6v n ALA 19 N 11.57 1.84 1.97 4.61 0.00 -1.26 -2.58 120.51 136.65 2w6v n ALA 19 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2w6v n ALA 19 Cb 0.00 -1.34 0.93 0.00 0.00 0.00 0.00 19.45 19.03 2w6v n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2w6v n HIS 20 N -1.80 0.00 -0.15 0.00 8.25 -0.80 -4.36 115.22 116.36 2w6v n HIS 20 Ca 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2w6v n HIS 20 Cb 0.24 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 2w6v n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2w6v h ALA 21 N 4.01 0.27 -0.17 -1.41 0.00 -1.65 -1.37 119.26 118.94 2w6v h ALA 21 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2w6v h ALA 21 Cb 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2w6v h ALA 21 CO 0.00 -0.47 -0.16 0.78 0.00 0.00 0.00 179.25 179.40 2w6v h GLY 22 N -0.03 -0.05 0.37 0.00 0.00 -1.84 -0.36 103.07 101.15 2w6v h GLY 22 Ca 0.23 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.83 2w6v h GLY 22 CO -0.52 -0.16 0.03 0.83 0.00 0.00 0.00 176.54 176.73 2w6v h GLU 23 N -0.17 0.14 -0.68 4.80 5.08 -1.73 -1.68 114.58 120.33 2w6v h GLU 23 Ca 0.11 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2w6v h GLU 23 Cb 0.34 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2w6v h GLU 23 CO -0.28 0.09 0.13 1.88 -1.00 0.00 0.00 179.01 179.83 2w6v h TYR 24 N 0.14 1.17 -0.33 4.33 0.05 -1.07 0.21 116.97 121.47 2w6v h TYR 24 Ca 0.21 -0.15 0.07 0.00 0.05 0.00 0.00 58.73 58.90 2w6v h TYR 24 Cb 0.29 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.64 2w6v h TYR 24 CO -0.25 0.96 -0.10 0.78 -1.05 0.00 0.00 178.16 178.50 2w6v h GLY 25 N 1.06 0.21 1.03 3.88 0.00 -0.74 0.26 103.07 108.77 2w6v h GLY 25 Ca 0.21 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 2w6v h GLY 25 CO 0.01 -0.13 0.17 0.00 0.00 0.00 0.00 176.54 176.58 2w6v h ALA 26 N 1.29 0.84 -0.33 3.60 0.00 -0.98 -1.90 119.26 121.78 2w6v h ALA 26 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2w6v h ALA 26 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2w6v h ALA 26 CO -0.35 0.54 0.07 1.49 0.00 0.00 0.00 179.25 181.00 2w6v h GLU 27 N 0.93 0.54 -0.57 0.00 4.81 -0.46 -1.43 114.58 118.40 2w6v h GLU 27 Ca 0.20 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2w6v h GLU 27 Cb 0.34 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2w6v h GLU 27 CO -0.00 0.61 0.26 0.00 -0.73 0.00 0.00 179.01 179.15 2w6v h ALA 28 N 0.91 0.74 -0.47 2.92 0.00 -0.37 -0.88 119.26 122.12 2w6v h ALA 28 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2w6v h ALA 28 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2w6v h ALA 28 CO 0.00 -0.12 0.30 -0.07 0.00 0.00 0.00 179.25 179.36 2w6v h LEU 29 N 0.48 0.50 -0.37 0.00 3.38 -0.96 -1.12 115.31 117.22 2w6v h LEU 29 Ca 0.27 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.27 2w6v h LEU 29 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2w6v h LEU 29 CO -0.23 0.36 0.16 -0.08 0.09 0.00 0.00 178.44 178.75 2w6v h GLU 30 N 0.60 0.33 -0.54 1.13 4.81 -0.88 -0.41 114.58 119.61 2w6v h GLU 30 Ca 0.18 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2w6v h GLU 30 Cb -0.03 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 2w6v h GLU 30 CO -0.06 0.22 0.23 0.00 -0.73 0.00 0.00 179.01 178.67 2w6v h ARG 31 N 0.34 0.43 -0.16 1.92 3.08 -0.98 -2.05 114.38 116.96 2w6v h ARG 31 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2w6v h ARG 31 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2w6v h ARG 31 CO -0.13 0.28 0.10 1.98 -1.07 0.00 0.00 179.97 181.13 2w6v h MET 32 N 0.44 0.20 -0.83 0.04 4.05 -0.68 0.69 114.93 118.83 2w6v h MET 32 Ca 0.26 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.63 2w6v h MET 32 Cb 0.25 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 2w6v h MET 32 CO -0.23 0.13 0.37 0.74 0.23 0.00 0.00 176.91 178.15 2w6v h PHE 33 N 0.20 1.23 -0.07 1.39 0.04 -0.82 0.84 116.94 119.75 2w6v h PHE 33 Ca 0.06 -0.07 -0.19 0.00 2.80 0.00 0.00 57.97 60.57 2w6v h PHE 33 Cb -0.01 -0.38 0.01 0.00 2.20 0.00 0.00 35.95 37.77 2w6v h PHE 33 CO -0.07 0.91 -0.70 -0.07 -0.60 0.00 0.00 178.31 177.78 2w6v h LEU 34 N 1.20 0.73 -0.05 1.54 3.38 -1.31 -3.26 115.31 117.54 2w6v h LEU 34 Ca 0.28 -0.69 -0.25 0.00 0.09 0.00 0.00 57.88 57.32 2w6v h LEU 34 Cb 0.16 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2w6v h LEU 34 CO -0.03 1.31 -1.07 0.28 0.09 0.00 0.00 178.44 179.02 2w6v h SER 35 N 0.21 0.54 -2.69 -0.43 0.02 -0.74 -3.39 113.55 107.07 2w6v h SER 35 Ca -0.07 -0.48 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 2w6v h SER 35 Cb 1.36 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.33 2w6v h SER 35 CO 0.14 1.31 -0.80 -0.36 -1.14 0.00 0.00 176.83 175.98 2w6v s PHE 36 N -3.05 2.16 0.58 3.45 0.08 0.28 -4.99 117.98 116.49 2w6v s PHE 36 Ca -0.06 -2.76 0.27 0.00 0.12 0.00 0.00 56.93 54.50 2w6v s PHE 36 Cb 0.08 -1.69 1.72 0.00 -0.57 0.00 0.00 43.02 42.55 2w6v s PHE 36 CO 0.88 -0.71 2.23 -1.35 -0.10 0.00 0.00 175.22 176.17 2w6v h PRO 37 N 5.55 0.00 -0.18 0.24 0.11 -1.75 -1.51 132.00 134.45 2w6v h PRO 37 Ca 0.21 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.37 2w6v h PRO 37 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2w6v h PRO 37 CO 0.52 0.00 0.16 1.79 -0.21 0.00 0.00 178.00 180.26 2w6v h THR 38 N 0.00 0.68 0.00 -1.15 1.35 -1.92 -1.32 112.91 110.55 2w6v h THR 38 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 2w6v h THR 38 Cb 0.04 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2w6v h THR 38 CO -0.00 0.00 -0.04 0.71 -0.25 0.00 0.00 175.52 175.94 2w6v h THR 39 N 0.00 0.15 0.00 6.82 1.35 -1.60 -2.28 112.91 117.35 2w6v h THR 39 Ca 0.08 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2w6v h THR 39 Cb 0.40 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2w6v h THR 39 CO -0.00 0.04 0.00 0.29 -0.25 0.00 0.00 175.52 175.60 2w6v n LYS 40 N -3.23 0.10 0.29 4.72 5.02 -0.50 -2.44 118.16 122.12 2w6v n LYS 40 Ca -0.01 0.41 0.19 0.00 -2.02 0.00 0.00 58.31 56.88 2w6v n LYS 40 Cb 0.22 -1.71 0.81 0.00 -0.02 0.00 0.00 35.03 34.34 2w6v n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2w6v h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.59 -1.31 112.91 111.18 2w6v h THR 41 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2w6v h THR 41 Cb 0.22 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2w6v h THR 41 CO 0.00 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.87 2w6v n TYR 42 N -3.07 0.00 -2.56 4.73 4.01 -1.02 -4.34 117.16 114.91 2w6v n TYR 42 Ca -0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 2w6v n TYR 42 Cb 0.25 -0.26 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 2w6v n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2w6v n PHE 43 N -1.16 2.13 0.29 -0.72 3.72 -0.49 -4.87 117.46 116.36 2w6v n PHE 43 Ca 0.11 -2.81 0.18 0.00 -0.05 0.00 0.00 57.45 54.88 2w6v n PHE 43 Cb 0.31 -0.25 0.80 0.00 -0.94 0.00 0.00 39.48 39.40 2w6v n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2w6v h PRO 44 N 2.74 0.00 -0.01 -1.08 0.13 -1.76 -2.29 132.00 129.74 2w6v h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2w6v h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2w6v h PRO 44 CO 0.62 0.01 -0.08 -2.39 -0.23 0.00 0.00 178.00 175.93 2w6v n HIS 45 N -3.12 0.00 -4.14 1.56 1.44 -1.26 -4.90 115.22 104.79 2w6v n HIS 45 Ca -0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 2w6v n HIS 45 Cb 0.25 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.22 2w6v n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2w6v s PHE 46 N -2.22 3.33 -0.30 -1.40 0.40 -0.86 -5.07 117.98 111.86 2w6v s PHE 46 Ca 0.34 0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 56.67 2w6v s PHE 46 Cb 0.20 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.93 2w6v s PHE 46 CO 0.41 0.57 1.22 0.34 0.70 0.00 0.00 175.22 178.46 2w6v s ASP 47 N -1.24 6.79 -0.01 1.36 -1.08 -1.26 -4.92 116.67 116.31 2w6v s ASP 47 Ca 0.17 1.19 0.20 0.00 -0.52 0.00 0.00 52.55 53.59 2w6v s ASP 47 Cb -0.12 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.39 2w6v s ASP 47 CO 0.07 -0.98 1.49 0.18 0.52 0.00 0.00 175.17 176.45 2w6v n LEU 48 N 7.26 3.82 -4.71 -1.34 4.77 -1.26 -4.51 117.00 121.03 2w6v n LEU 48 Ca 0.14 -2.04 -0.35 0.00 -0.03 0.00 0.00 56.01 53.72 2w6v n LEU 48 Cb 0.47 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2w6v n LEU 48 CO 0.61 0.93 0.83 -1.20 -1.33 0.00 0.00 177.39 177.22 2w6v n SER 49 N 1.37 1.53 -4.70 -1.43 7.64 -1.26 -4.90 113.62 111.88 2w6v n SER 49 Ca 0.22 0.71 -0.43 0.00 1.01 0.00 0.00 58.87 60.38 2w6v n SER 49 Cb 0.61 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2w6v n SER 49 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2w6v n HIS 50 N -2.58 2.50 -0.75 1.43 -0.00 -1.26 -1.49 115.22 113.07 2w6v n HIS 50 Ca 0.15 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2w6v n HIS 50 Cb 0.49 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.82 2w6v n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2w6v n GLY 51 N 2.43 0.87 3.67 1.57 0.00 -1.26 -5.02 105.19 107.45 2w6v n GLY 51 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 2w6v n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2w6v n SER 52 N 0.00 3.06 0.16 1.61 2.88 -0.55 -4.88 113.62 115.90 2w6v n SER 52 Ca 0.00 1.08 0.04 0.00 -1.33 0.00 0.00 58.87 58.66 2w6v n SER 52 Cb 0.00 -1.42 0.46 0.00 -0.75 0.00 0.00 64.21 62.51 2w6v n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2w6v h ALA 53 N 6.08 1.65 -0.21 -1.46 0.00 -1.90 -0.76 119.26 122.65 2w6v h ALA 53 Ca -0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2w6v h ALA 53 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2w6v h ALA 53 CO 0.89 0.26 0.01 1.96 0.00 0.00 0.00 179.25 182.37 2w6v h GLN 54 N 0.16 0.36 -0.72 0.00 4.20 -1.90 0.12 115.11 117.34 2w6v h GLN 54 Ca 0.04 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2w6v h GLN 54 Cb 0.26 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2w6v h GLN 54 CO 0.01 0.54 0.19 0.28 -0.67 0.00 0.00 178.83 179.19 2w6v h VAL 55 N 0.13 1.26 -0.44 -0.54 2.07 -1.72 0.48 116.25 117.50 2w6v h VAL 55 Ca 0.06 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2w6v h VAL 55 Cb 0.37 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2w6v h VAL 55 CO 0.01 0.37 0.04 0.11 0.02 0.00 0.00 177.57 178.12 2w6v h LYS 56 N 1.09 0.75 -0.31 1.57 1.57 -1.03 0.20 116.57 120.42 2w6v h LYS 56 Ca 0.23 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2w6v h LYS 56 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2w6v h LYS 56 CO -0.00 0.80 0.09 0.78 -0.57 0.00 0.00 179.45 180.54 2w6v h GLY 57 N 0.61 0.52 1.03 3.86 0.00 -0.57 -1.09 103.07 107.43 2w6v h GLY 57 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 2w6v h GLY 57 CO 0.01 0.29 0.12 0.84 0.00 0.00 0.00 176.54 177.81 2w6v h HIS 58 N 0.34 1.05 -0.78 5.60 -0.00 -0.85 -2.57 115.15 117.94 2w6v h HIS 58 Ca 0.10 -0.14 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 2w6v h HIS 58 Cb 0.26 -0.29 -0.07 0.00 -0.00 0.00 0.00 27.41 27.31 2w6v h HIS 58 CO 0.01 0.89 0.42 0.78 -0.00 0.00 0.00 177.93 180.03 2w6v h GLY 59 N 0.90 1.20 0.89 5.26 0.00 -0.28 -0.35 103.07 110.70 2w6v h GLY 59 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2w6v h GLY 59 CO 0.01 0.09 0.33 1.70 0.00 0.00 0.00 176.54 178.67 2w6v h LYS 60 N 0.70 0.64 -0.03 4.80 3.64 -0.98 -0.43 116.57 124.91 2w6v h LYS 60 Ca 0.38 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2w6v h LYS 60 Cb 0.39 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2w6v h LYS 60 CO -0.26 0.42 0.01 0.87 -2.27 0.00 0.00 179.45 178.22 2w6v h LYS 61 N 0.66 0.05 -0.40 1.90 1.57 -0.96 0.37 116.57 119.76 2w6v h LYS 61 Ca 0.22 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 2w6v h LYS 61 Cb 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2w6v h LYS 61 CO -0.09 0.24 0.12 0.28 -0.57 0.00 0.00 179.45 179.44 2w6v h VAL 62 N -0.15 0.85 -0.22 0.50 2.07 -1.01 -0.95 116.25 117.33 2w6v h VAL 62 Ca 0.01 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2w6v h VAL 62 Cb 0.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2w6v h VAL 62 CO -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 2w6v h ALA 63 N 1.27 0.18 -0.57 1.67 0.00 -0.94 -1.52 119.26 119.36 2w6v h ALA 63 Ca 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2w6v h ALA 63 Cb 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2w6v h ALA 63 CO -0.21 -0.43 0.27 -0.44 0.00 0.00 0.00 179.25 178.44 2w6v h ASP 64 N 0.06 0.71 -0.72 0.00 3.32 -0.51 -0.33 116.42 118.95 2w6v h ASP 64 Ca 0.10 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2w6v h ASP 64 Cb 0.13 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2w6v h ASP 64 CO -0.18 0.61 0.18 0.00 -1.72 0.00 0.00 179.24 178.13 2w6v h ALA 65 N 1.51 0.96 -0.60 3.45 0.00 -0.83 -1.45 119.26 122.29 2w6v h ALA 65 Ca 0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2w6v h ALA 65 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2w6v h ALA 65 CO -0.03 0.67 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 2w6v h LEU 66 N 1.09 1.02 -0.36 0.00 3.38 -0.32 0.17 115.31 120.29 2w6v h LEU 66 Ca 0.23 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2w6v h LEU 66 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2w6v h LEU 66 CO 0.00 1.06 0.19 0.74 0.09 0.00 0.00 178.44 180.52 2w6v h THR 67 N 0.94 1.00 -0.28 0.22 2.02 -0.89 0.62 112.91 116.55 2w6v h THR 67 Ca 0.17 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.27 2w6v h THR 67 Cb 0.52 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2w6v h THR 67 CO 0.03 0.07 -0.01 -1.13 0.37 0.00 0.00 175.52 174.84 2w6v h ASN 68 N 0.39 -0.14 0.01 4.18 -1.24 -1.05 -0.49 115.58 117.25 2w6v h ASN 68 Ca 0.15 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.25 2w6v h ASN 68 Cb 0.04 0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.16 2w6v h ASN 68 CO -0.09 -0.04 -0.51 0.00 -1.29 0.00 0.00 177.43 175.51 2w6v h ALA 69 N 1.25 -0.88 -0.79 1.57 0.00 -0.58 -0.62 119.26 119.22 2w6v h ALA 69 Ca 0.13 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2w6v h ALA 69 Cb 0.18 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2w6v h ALA 69 CO -0.24 -1.07 0.40 0.28 0.00 0.00 0.00 179.25 178.62 2w6v h VAL 70 N -0.66 0.78 0.00 0.00 2.07 -0.53 0.18 116.25 118.10 2w6v h VAL 70 Ca 0.02 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2w6v h VAL 70 Cb 0.71 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2w6v h VAL 70 CO -0.34 0.11 -0.30 0.00 0.02 0.00 0.00 177.57 177.06 2w6v h ALA 71 N 1.50 1.28 -0.76 1.67 0.00 -0.85 -3.03 119.26 119.08 2w6v h ALA 71 Ca 0.41 -0.27 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 2w6v h ALA 71 Cb 0.52 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.86 2w6v h ALA 71 CO -0.32 0.38 -0.59 0.72 0.00 0.00 0.00 179.25 179.43 2w6v n HIS 72 N -3.86 2.72 -0.03 0.00 8.25 0.39 -4.89 115.22 117.80 2w6v n HIS 72 Ca -0.01 -2.29 0.16 0.00 -0.26 0.00 0.00 57.72 55.31 2w6v n HIS 72 Cb 0.38 -0.48 0.60 0.00 1.12 0.00 0.00 29.99 31.61 2w6v n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2w6v h VAL 73 N 1.99 0.81 -0.01 1.59 3.04 -0.78 0.83 116.25 123.72 2w6v h VAL 73 Ca 0.39 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 2w6v h VAL 73 Cb 1.44 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2w6v h VAL 73 CO 0.84 0.03 -0.09 0.47 -1.01 0.00 0.00 177.57 177.82 2w6v n ASP 74 N -4.43 0.61 -2.71 3.17 8.00 -1.26 -4.16 116.55 115.76 2w6v n ASP 74 Ca 0.10 -0.80 -0.09 0.00 0.71 0.00 0.00 54.79 54.70 2w6v n ASP 74 Cb 0.49 -0.04 0.06 0.00 -0.02 0.00 0.00 41.12 41.62 2w6v n ASP 74 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2w6v n ASP 75 N -0.76 0.03 -0.12 -2.24 5.75 0.21 -4.97 116.55 114.45 2w6v n ASP 75 Ca 0.16 -2.68 -0.10 0.00 -0.01 0.00 0.00 54.79 52.17 2w6v n ASP 75 Cb 0.27 0.13 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 2w6v n ASP 75 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2w6v h MET 76 N 2.64 0.87 -0.70 0.11 2.86 -1.51 -2.48 114.93 116.72 2w6v h MET 76 Ca -0.15 -0.38 0.11 0.00 -2.06 0.00 0.00 59.70 57.22 2w6v h MET 76 Cb 1.21 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.76 2w6v h MET 76 CO 0.28 1.02 0.30 -1.35 1.06 0.00 0.00 176.91 178.21 2w6v h PRO 77 N 0.75 0.47 -0.29 -0.22 0.11 -1.93 -0.93 132.00 129.96 2w6v h PRO 77 Ca 0.10 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.00 2w6v h PRO 77 Cb 0.79 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2w6v h PRO 77 CO 0.07 0.31 -0.52 -0.97 -0.21 0.00 0.00 178.00 176.68 2w6v h ASN 78 N 0.49 0.95 -0.89 -2.05 -1.24 -1.94 -1.96 115.58 108.93 2w6v h ASN 78 Ca 0.36 -0.53 0.07 0.00 0.71 0.00 0.00 56.30 56.92 2w6v h ASN 78 Cb 0.47 -0.27 -0.07 0.00 0.73 0.00 0.00 38.32 39.18 2w6v h ASN 78 CO -0.33 1.30 0.55 0.00 -1.29 0.00 0.00 177.43 177.66 2w6v h ALA 79 N 0.68 1.25 -0.67 1.57 0.00 -0.93 -2.66 119.26 118.50 2w6v h ALA 79 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2w6v h ALA 79 Cb 1.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2w6v h ALA 79 CO 0.12 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2w6v n LEU 80 N -4.62 3.64 -0.14 0.00 4.77 -0.41 -4.63 117.00 115.60 2w6v n LEU 80 Ca 0.14 -1.82 -0.05 0.00 -0.03 0.00 0.00 56.01 54.25 2w6v n LEU 80 Cb 0.21 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2w6v n LEU 80 CO 0.30 0.89 0.99 -1.28 -1.33 0.00 0.00 177.39 176.96 2w6v h SER 81 N 3.92 0.27 -0.09 -1.43 0.87 -0.98 0.20 113.55 116.32 2w6v h SER 81 Ca 0.00 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2w6v h SER 81 Cb 0.92 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2w6v h SER 81 CO 0.01 0.19 -0.18 0.00 -0.53 0.00 0.00 176.83 176.32 2w6v h ALA 82 N 1.27 1.19 -0.31 6.23 0.00 -1.82 -0.91 119.26 124.90 2w6v h ALA 82 Ca 0.20 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2w6v h ALA 82 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2w6v h ALA 82 CO -0.17 0.52 -0.42 1.25 0.00 0.00 0.00 179.25 180.43 2w6v h LEU 83 N 0.43 0.82 -0.61 0.00 5.85 -1.46 -1.18 115.31 119.16 2w6v h LEU 83 Ca 0.07 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2w6v h LEU 83 Cb 0.57 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2w6v h LEU 83 CO 0.04 1.13 0.31 0.77 -0.34 0.00 0.00 178.44 180.35 2w6v h SER 84 N 0.62 0.79 -0.24 1.25 4.64 -0.39 -0.41 113.55 119.81 2w6v h SER 84 Ca 0.05 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2w6v h SER 84 Cb 0.98 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 2w6v h SER 84 CO 0.09 0.69 0.03 0.44 -0.87 0.00 0.00 176.83 177.21 2w6v h ASP 85 N 0.84 -0.02 -0.43 4.97 3.32 -1.01 0.53 116.42 124.62 2w6v h ASP 85 Ca 0.21 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2w6v h ASP 85 Cb 0.09 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2w6v h ASP 85 CO -0.03 0.02 0.13 0.25 -1.72 0.00 0.00 179.24 177.89 2w6v h LEU 86 N 0.12 0.64 -0.31 1.55 5.85 -0.92 0.41 115.31 122.66 2w6v h LEU 86 Ca 0.11 -0.21 -0.19 0.00 0.84 0.00 0.00 57.88 58.43 2w6v h LEU 86 Cb 0.12 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2w6v h LEU 86 CO -0.16 0.68 -0.54 0.45 -0.34 0.00 0.00 178.44 178.54 2w6v h HIS 87 N 0.56 1.11 -0.26 1.25 3.86 -0.97 -1.28 115.15 119.41 2w6v h HIS 87 Ca 0.14 -0.39 -0.12 0.00 -1.16 0.00 0.00 60.37 58.84 2w6v h HIS 87 Cb 0.28 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2w6v h HIS 87 CO 0.01 1.22 -0.32 0.00 0.86 0.00 0.00 177.93 179.70 2w6v h ALA 88 N 0.70 0.95 0.00 2.45 0.00 -0.62 0.17 119.26 122.90 2w6v h ALA 88 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2w6v h ALA 88 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2w6v h ALA 88 CO 0.12 0.61 0.00 0.72 0.00 0.00 0.00 179.25 180.70 2w6v n HIS 89 N -4.07 0.00 0.03 0.00 8.25 0.11 -4.58 115.22 114.95 2w6v n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2w6v n HIS 89 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2w6v n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2w6v n LYS 90 N -0.84 0.00 -0.18 -0.41 3.00 -0.81 -4.91 118.16 114.02 2w6v n LYS 90 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2w6v n LYS 90 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 35.03 34.83 2w6v n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2w6v h LEU 91 N 0.00 0.77 -1.15 3.14 3.38 -1.40 -3.47 115.31 116.58 2w6v h LEU 91 Ca 0.00 -0.22 -0.47 0.00 0.09 0.00 0.00 57.88 57.28 2w6v h LEU 91 Cb 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2w6v h LEU 91 CO 0.00 0.79 -0.78 0.54 0.09 0.00 0.00 178.44 179.08 2w6v n ARG 92 N -4.46 -5.31 -1.71 1.13 1.74 0.59 -4.91 116.66 103.73 2w6v n ARG 92 Ca 0.02 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 2w6v n ARG 92 Cb 0.21 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.22 2w6v n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2w6v s VAL 93 N -3.39 2.65 0.20 1.55 1.01 -1.26 -4.93 120.40 116.23 2w6v s VAL 93 Ca 0.53 0.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.23 2w6v s VAL 93 Cb -0.27 -3.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 2w6v s VAL 93 CO 0.83 -0.00 1.50 -0.67 0.00 0.00 0.00 175.10 176.76 2w6v n ASP 94 N 6.11 2.96 -0.24 3.32 -0.08 -1.26 -4.83 116.55 122.53 2w6v n ASP 94 Ca 0.18 1.11 0.29 0.00 -1.51 0.00 0.00 54.79 54.87 2w6v n ASP 94 Cb 0.39 -1.43 0.69 0.00 2.34 0.00 0.00 41.12 43.11 2w6v n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2w6v h PRO 95 N 5.06 0.07 -0.31 -0.67 0.11 -1.99 -1.89 132.00 132.38 2w6v h PRO 95 Ca -0.45 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.74 2w6v h PRO 95 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2w6v h PRO 95 CO 0.82 0.05 0.25 -0.39 -0.21 0.00 0.00 178.00 178.52 2w6v h VAL 96 N 0.07 0.68 0.00 3.15 -1.51 -2.03 -2.30 116.25 114.31 2w6v h VAL 96 Ca 0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.92 2w6v h VAL 96 Cb 1.79 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2w6v h VAL 96 CO -0.05 0.00 -0.15 0.78 -1.23 0.00 0.00 177.57 176.92 2w6v h ASN 97 N 0.00 0.00 -0.22 4.19 2.35 -1.69 -3.01 115.58 117.20 2w6v h ASN 97 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2w6v h ASN 97 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2w6v h ASN 97 CO -0.00 0.15 -0.06 -0.26 -1.65 0.00 0.00 177.43 175.61 2w6v h PHE 98 N 0.00 0.60 -0.87 1.19 0.04 -1.59 -1.91 116.94 114.39 2w6v h PHE 98 Ca -0.00 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.71 2w6v h PHE 98 Cb 0.77 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 2w6v h PHE 98 CO 0.00 0.62 0.57 0.87 -0.60 0.00 0.00 178.31 179.77 2w6v h LYS 99 N 0.53 1.09 -0.12 1.51 1.57 -1.70 -0.27 116.57 119.19 2w6v h LYS 99 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2w6v h LYS 99 Cb 0.43 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2w6v h LYS 99 CO 0.02 0.72 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.52 2w6v h LEU 100 N 1.13 0.23 -0.58 2.94 3.38 -1.52 -1.20 115.31 119.68 2w6v h LEU 100 Ca 0.34 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2w6v h LEU 100 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2w6v h LEU 100 CO -0.10 0.55 -0.02 0.25 0.09 0.00 0.00 178.44 179.21 2w6v h LEU 101 N -0.09 1.03 -0.64 1.67 5.85 -1.26 -1.92 115.31 119.95 2w6v h LEU 101 Ca 0.03 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.50 2w6v h LEU 101 Cb 0.45 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2w6v h LEU 101 CO 0.01 1.10 0.32 0.28 -0.34 0.00 0.00 178.44 179.81 2w6v h SER 102 N 0.94 0.44 -0.41 1.25 0.02 -0.97 0.27 113.55 115.09 2w6v h SER 102 Ca 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2w6v h SER 102 Cb 0.58 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2w6v h SER 102 CO 0.03 0.28 0.21 -0.74 -1.14 0.00 0.00 176.83 175.47 2w6v h HIS 103 N 0.59 0.58 -0.11 3.45 -0.00 -0.98 0.52 115.15 119.19 2w6v h HIS 103 Ca 0.30 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.54 2w6v h HIS 103 Cb 0.26 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2w6v h HIS 103 CO -0.10 0.47 -0.42 0.00 -0.00 0.00 0.00 177.93 177.88 2w6v h LEU 105 N 0.22 0.42 -0.42 0.00 3.38 -0.13 -0.89 115.31 117.89 2w6v h LEU 105 Ca 0.02 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2w6v h LEU 105 Cb 0.83 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2w6v h LEU 105 CO 0.07 0.43 0.15 -0.07 0.09 0.00 0.00 178.44 179.11 2w6v h LEU 106 N 0.38 0.15 -0.67 1.67 3.38 -0.18 -0.85 115.31 119.20 2w6v h LEU 106 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2w6v h LEU 106 Cb 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2w6v h LEU 106 CO -0.01 0.12 0.37 0.58 0.09 0.00 0.00 178.44 179.59 2w6v h VAL 107 N 0.31 1.21 0.01 1.22 2.07 -0.79 -0.90 116.25 119.39 2w6v h VAL 107 Ca 0.20 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2w6v h VAL 107 Cb 0.18 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2w6v h VAL 107 CO -0.20 0.23 -0.00 0.74 0.02 0.00 0.00 177.57 178.35 2w6v h THR 108 N 0.91 1.02 -0.66 2.57 2.02 -0.69 -1.12 112.91 116.97 2w6v h THR 108 Ca 0.24 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.36 2w6v h THR 108 Cb 0.04 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2w6v h THR 108 CO -0.04 0.02 0.43 -0.07 0.37 0.00 0.00 175.52 176.23 2w6v h LEU 109 N -0.04 0.73 -0.63 2.58 3.38 -1.01 -2.21 115.31 118.12 2w6v h LEU 109 Ca -0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2w6v h LEU 109 Cb 0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 2w6v h LEU 109 CO 0.00 0.53 0.21 0.00 0.09 0.00 0.00 178.44 179.27 2w6v h ALA 110 N 1.25 0.81 0.00 1.53 0.00 -0.91 0.17 119.26 122.12 2w6v h ALA 110 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2w6v h ALA 110 Cb -0.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2w6v h ALA 110 CO -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2w6v n ALA 111 N -2.51 1.62 -0.03 0.00 0.00 -0.44 -3.21 120.51 115.93 2w6v n ALA 111 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2w6v n ALA 111 Cb 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2w6v n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2w6v n HIS 112 N -1.72 0.00 -3.32 0.00 -0.00 -0.69 -4.86 115.22 104.63 2w6v n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 2w6v n HIS 112 Cb 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.09 2w6v n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2w6v n LEU 113 N -0.62 3.02 -0.18 2.41 4.77 -0.04 -4.95 117.00 121.41 2w6v n LEU 113 Ca 0.00 -5.30 -0.04 0.00 -0.03 0.00 0.00 56.01 50.63 2w6v n LEU 113 Cb 0.01 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2w6v n LEU 113 CO 0.00 2.10 1.05 1.55 -1.33 0.00 0.00 177.39 180.76 2w6v h PRO 114 N 3.98 0.56 -0.07 3.23 0.13 -1.87 -2.07 132.00 135.89 2w6v h PRO 114 Ca 0.16 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.06 2w6v h PRO 114 Cb 0.70 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.71 2w6v h PRO 114 CO 0.75 0.37 -0.74 0.00 -0.23 0.00 0.00 178.00 178.15 2w6v h ALA 115 N 1.27 0.19 0.00 -0.56 0.00 -1.96 -3.37 119.26 114.83 2w6v h ALA 115 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2w6v h ALA 115 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2w6v h ALA 115 CO -0.14 0.54 -0.42 0.93 0.00 0.00 0.00 179.25 180.16 2w6v h GLU 116 N 0.27 0.00 -2.65 0.00 3.07 -1.94 -3.38 114.58 109.96 2w6v h GLU 116 Ca -0.07 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.16 2w6v h GLU 116 Cb 1.40 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.25 2w6v h GLU 116 CO 0.15 0.00 2.52 0.34 -1.40 0.00 0.00 179.01 180.62 2w6v n PHE 117 N -2.63 2.15 -1.30 4.33 7.35 -0.79 -4.72 117.46 121.86 2w6v n PHE 117 Ca 0.03 -2.71 -0.30 0.00 -0.76 0.00 0.00 57.45 53.71 2w6v n PHE 117 Cb 0.50 -2.04 0.11 0.00 0.35 0.00 0.00 39.48 38.41 2w6v n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2w6v s THR 118 N 0.32 2.94 0.25 -2.13 -4.23 -1.26 -4.75 115.64 106.78 2w6v s THR 118 Ca 0.62 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 2w6v s THR 118 Cb 0.22 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.44 2w6v s THR 118 CO -0.08 -0.40 1.68 -0.65 -0.54 0.00 0.00 174.62 174.63 2w6v h PRO 119 N -1.33 0.24 -0.65 3.99 0.11 -1.98 0.90 132.00 133.27 2w6v h PRO 119 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2w6v h PRO 119 Cb 1.27 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2w6v h PRO 119 CO 0.55 0.16 0.27 0.00 -0.21 0.00 0.00 178.00 178.76 2w6v h ALA 120 N 1.62 0.84 -0.29 -0.75 0.00 -1.96 -1.25 119.26 117.47 2w6v h ALA 120 Ca 0.42 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2w6v h ALA 120 Cb 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2w6v h ALA 120 CO -0.53 0.45 -0.53 0.28 0.00 0.00 0.00 179.25 178.92 2w6v h VAL 121 N 0.91 1.27 -0.23 0.00 2.07 -1.72 -1.43 116.25 117.11 2w6v h VAL 121 Ca 0.22 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 66.08 2w6v h VAL 121 Cb 0.19 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2w6v h VAL 121 CO -0.02 0.56 -0.13 -0.74 0.02 0.00 0.00 177.57 177.26 2w6v h HIS 122 N 0.67 -0.32 -0.38 1.57 6.17 -0.68 0.86 115.15 123.04 2w6v h HIS 122 Ca 0.02 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.15 2w6v h HIS 122 Cb 1.14 0.18 -0.03 0.00 2.52 0.00 0.00 27.41 31.22 2w6v h HIS 122 CO 0.07 -0.20 0.21 0.00 0.71 0.00 0.00 177.93 178.72 2w6v h ALA 123 N 1.07 0.47 -0.50 5.26 0.00 -0.93 -0.45 119.26 124.18 2w6v h ALA 123 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2w6v h ALA 123 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2w6v h ALA 123 CO -0.30 -0.15 -0.05 0.77 0.00 0.00 0.00 179.25 179.52 2w6v h SER 124 N 0.42 0.91 -0.53 0.00 0.02 -0.70 -2.15 113.55 111.52 2w6v h SER 124 Ca 0.15 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2w6v h SER 124 Cb 0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2w6v h SER 124 CO -0.09 1.03 0.24 -0.07 -1.14 0.00 0.00 176.83 176.80 2w6v h LEU 125 N 0.78 0.70 -0.45 5.07 3.38 -0.65 0.63 115.31 124.77 2w6v h LEU 125 Ca 0.14 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2w6v h LEU 125 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2w6v h LEU 125 CO 0.04 0.65 0.30 -0.78 0.09 0.00 0.00 178.44 178.73 2w6v h ASP 126 N 0.71 0.51 -0.58 -0.43 3.58 -0.91 0.13 116.42 119.43 2w6v h ASP 126 Ca 0.18 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2w6v h ASP 126 Cb 0.14 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2w6v h ASP 126 CO -0.02 0.37 0.32 0.11 -2.88 0.00 0.00 179.24 177.14 2w6v h LYS 127 N 0.61 0.59 -0.11 0.28 1.57 -1.16 -1.01 116.57 117.35 2w6v h LYS 127 Ca 0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2w6v h LYS 127 Cb -0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2w6v h LYS 127 CO -0.04 0.39 0.03 0.35 -0.57 0.00 0.00 179.45 179.62 2w6v h PHE 128 N 0.61 0.17 -0.60 -1.35 3.57 -0.30 0.04 116.94 119.09 2w6v h PHE 128 Ca 0.25 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2w6v h PHE 128 Cb 0.13 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2w6v h PHE 128 CO -0.08 0.32 0.27 -0.07 -2.23 0.00 0.00 178.31 176.51 2w6v h LEU 129 N -0.02 0.77 -0.84 0.59 3.38 -0.88 -0.81 115.31 117.50 2w6v h LEU 129 Ca 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2w6v h LEU 129 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2w6v h LEU 129 CO -0.00 0.67 0.31 0.00 0.09 0.00 0.00 178.44 179.51 2w6v h ALA 130 N 1.45 1.07 -0.05 1.53 0.00 -0.79 -0.10 119.26 122.37 2w6v h ALA 130 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2w6v h ALA 130 Cb 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2w6v h ALA 130 CO -0.02 0.66 0.01 0.77 0.00 0.00 0.00 179.25 180.66 2w6v h SER 131 N 1.14 0.08 -0.47 0.00 0.02 -0.47 -0.07 113.55 113.79 2w6v h SER 131 Ca 0.26 -0.28 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2w6v h SER 131 Cb 0.22 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 2w6v h SER 131 CO -0.02 0.34 0.01 0.58 -1.14 0.00 0.00 176.83 176.60 2w6v h VAL 132 N -0.18 0.65 -0.62 2.27 2.07 -1.07 -0.78 116.25 118.59 2w6v h VAL 132 Ca 0.01 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2w6v h VAL 132 Cb 0.29 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2w6v h VAL 132 CO 0.00 0.02 0.38 0.28 0.02 0.00 0.00 177.57 178.28 2w6v h SER 133 N 0.13 0.62 -0.08 0.57 0.02 -0.79 0.09 113.55 114.10 2w6v h SER 133 Ca 0.23 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2w6v h SER 133 Cb 0.34 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2w6v h SER 133 CO -0.38 0.43 -0.00 0.74 -1.14 0.00 0.00 176.83 176.48 2w6v h THR 134 N 0.75 0.94 -0.36 -2.27 2.02 -0.59 -1.57 112.91 111.83 2w6v h THR 134 Ca 0.25 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.43 2w6v h THR 134 Cb 0.03 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2w6v h THR 134 CO -0.11 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.60 2w6v h VAL 135 N 0.03 1.08 0.00 3.16 2.07 -0.71 -1.55 116.25 120.33 2w6v h VAL 135 Ca 0.04 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2w6v h VAL 135 Cb 0.05 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2w6v h VAL 135 CO -0.07 0.09 -0.09 -0.07 0.02 0.00 0.00 177.57 177.45 2w6v h LEU 136 N 0.47 0.00 -1.96 2.57 3.38 -0.68 -2.15 115.31 116.94 2w6v h LEU 136 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2w6v h LEU 136 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2w6v h LEU 136 CO -0.04 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.93 2w6v n THR 137 N -3.43 0.14 0.26 0.22 -2.24 -0.62 -4.49 114.28 104.13 2w6v n THR 137 Ca -0.01 -0.57 0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2w6v n THR 137 Cb 0.25 1.31 0.68 0.00 -2.10 0.00 0.00 70.33 70.46 2w6v n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2w6v h SER 138 N 4.14 0.00 -0.55 3.42 4.64 -0.59 -2.35 113.55 122.25 2w6v h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2w6v h SER 138 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2w6v h SER 138 CO 0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 2w6v n LYS 139 N -3.33 3.22 0.18 4.77 5.02 -1.26 -4.66 118.16 122.10 2w6v n LYS 139 Ca -0.01 -2.63 0.04 0.00 -2.02 0.00 0.00 58.31 53.69 2w6v n LYS 139 Cb 0.30 -1.66 0.45 0.00 -0.02 0.00 0.00 35.03 34.09 2w6v n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2w6v h TYR 140 N 3.38 0.09 0.00 2.13 0.99 -1.74 -3.46 116.97 118.36 2w6v h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2w6v h TYR 140 Cb 1.18 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.88 2w6v h TYR 140 CO 0.55 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 181.87