#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 4.14 0.83 1.34 1.43 -1.26 -5.06 118.68 120.10 2w6v s LEU 2 Ca 0.00 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 2w6v s LEU 2 Cb 0.00 -3.01 0.09 0.00 0.03 0.00 0.00 46.19 43.29 2w6v s LEU 2 CO 0.00 -0.33 1.10 -0.94 0.23 0.00 0.00 176.35 176.41 2w6v s SER 3 N 1.21 4.23 0.41 2.29 1.04 -1.26 -4.86 113.70 116.76 2w6v s SER 3 Ca 0.32 1.29 0.08 0.00 0.48 0.00 0.00 55.95 58.11 2w6v s SER 3 Cb -0.16 -2.00 0.87 0.00 0.10 0.00 0.00 66.02 64.84 2w6v s SER 3 CO 0.11 -2.13 2.05 -0.65 0.98 0.00 0.00 173.24 173.59 2w6v h PRO 4 N -1.20 0.49 -0.41 4.02 0.11 -2.00 -1.55 132.00 131.47 2w6v h PRO 4 Ca -0.48 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 2w6v h PRO 4 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2w6v h PRO 4 CO 0.59 0.34 -0.33 0.00 -0.21 0.00 0.00 178.00 178.40 2w6v h ALA 5 N 1.75 0.59 -0.47 -0.75 0.00 -1.99 -1.28 119.26 117.10 2w6v h ALA 5 Ca 0.13 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.70 2w6v h ALA 5 Cb -0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 2w6v h ALA 5 CO -0.03 0.65 0.01 -0.44 0.00 0.00 0.00 179.25 179.44 2w6v h ASP 6 N 0.76 -0.18 -0.72 0.00 3.32 -1.78 -0.64 116.42 117.19 2w6v h ASP 6 Ca 0.07 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2w6v h ASP 6 Cb 0.92 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2w6v h ASP 6 CO 0.08 -0.06 0.32 0.11 -1.72 0.00 0.00 179.24 177.98 2w6v h LYS 7 N 0.12 1.05 -0.27 3.56 1.57 -0.94 -0.61 116.57 121.04 2w6v h LYS 7 Ca 0.23 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2w6v h LYS 7 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2w6v h LYS 7 CO -0.38 0.84 0.16 1.15 -0.57 0.00 0.00 179.45 180.65 2w6v h THR 8 N 1.01 1.04 -0.53 -0.16 2.02 -0.96 -1.82 112.91 113.51 2w6v h THR 8 Ca 0.24 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2w6v h THR 8 Cb 0.16 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2w6v h THR 8 CO -0.03 0.06 0.31 0.78 0.37 0.00 0.00 175.52 177.02 2w6v h ASN 9 N 0.34 0.64 -0.03 4.18 2.35 -0.75 -1.90 115.58 120.41 2w6v h ASN 9 Ca 0.10 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2w6v h ASN 9 Cb -0.01 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 2w6v h ASN 9 CO -0.04 0.52 -0.00 0.58 -1.65 0.00 0.00 177.43 176.84 2w6v h VAL 10 N 0.71 1.26 -0.94 2.81 2.07 -1.05 -2.12 116.25 119.00 2w6v h VAL 10 Ca 0.19 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 67.02 2w6v h VAL 10 Cb 0.01 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2w6v h VAL 10 CO -0.03 0.21 0.58 0.11 0.02 0.00 0.00 177.57 178.45 2w6v h LYS 11 N -0.26 0.96 0.24 1.57 1.57 -1.27 0.51 116.57 119.89 2w6v h LYS 11 Ca 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2w6v h LYS 11 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2w6v h LYS 11 CO 0.00 0.63 -0.11 0.00 -0.57 0.00 0.00 179.45 179.40 2w6v h ALA 12 N 1.47 -0.32 -0.37 3.86 0.00 -1.29 -0.41 119.26 122.20 2w6v h ALA 12 Ca 0.44 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2w6v h ALA 12 Cb 0.32 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2w6v h ALA 12 CO -0.22 -0.54 -0.09 0.00 0.00 0.00 0.00 179.25 178.40 2w6v h ALA 13 N 0.07 1.15 0.00 0.00 0.00 -1.16 -2.67 119.26 116.64 2w6v h ALA 13 Ca -0.03 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2w6v h ALA 13 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2w6v h ALA 13 CO 0.05 0.54 -0.88 2.35 0.00 0.00 0.00 179.25 181.31 2w6v h TRP 14 N 0.59 0.00 -0.97 0.00 2.91 -0.87 -2.79 115.95 114.81 2w6v h TRP 14 Ca 0.11 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.17 2w6v h TRP 14 Cb 0.51 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.10 2w6v h TRP 14 CO 0.02 0.88 0.63 0.78 -1.03 0.00 0.00 178.44 179.73 2w6v h GLY 15 N 2.82 1.45 1.05 2.65 0.00 -0.82 -2.28 103.07 107.92 2w6v h GLY 15 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2w6v h GLY 15 CO 0.11 0.38 0.35 0.50 0.00 0.00 0.00 176.54 177.88 2w6v h LYS 16 N 1.19 1.20 -0.32 4.80 1.79 -1.29 -1.94 116.57 122.02 2w6v h LYS 16 Ca 0.40 -0.21 0.07 0.00 -2.18 0.00 0.00 60.65 58.74 2w6v h LYS 16 Cb 0.07 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 30.44 2w6v h LYS 16 CO -0.14 0.96 -0.15 0.28 -1.08 0.00 0.00 179.45 179.31 2w6v h VAL 17 N 1.18 0.53 0.00 0.50 2.07 -1.16 -3.45 116.25 115.91 2w6v h VAL 17 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2w6v h VAL 17 Cb 0.19 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2w6v h VAL 17 CO -0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.17 2w6v n GLY 18 N -1.33 3.09 0.00 2.17 0.00 -0.73 -1.53 105.19 106.86 2w6v n GLY 18 Ca 0.01 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 11.26 2.33 1.45 4.61 0.00 -1.26 -2.82 120.51 136.07 2w6v n ALA 19 Ca 0.00 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.45 2w6v n ALA 19 Cb 0.00 -1.41 0.51 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.19 0.00 -0.22 0.00 8.25 -0.58 -4.49 115.22 116.98 2w6v n HIS 20 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.63 2w6v n HIS 20 Cb 0.16 -0.05 0.13 0.00 1.12 0.00 0.00 29.99 31.35 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 4.09 0.71 0.29 -1.41 0.00 -1.69 0.13 119.26 121.38 2w6v h ALA 21 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2w6v h ALA 21 Cb 0.46 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2w6v h ALA 21 CO 0.00 -0.39 -0.20 0.78 0.00 0.00 0.00 179.25 179.44 2w6v h GLY 22 N 0.15 -0.50 0.27 0.00 0.00 -1.84 0.04 103.07 101.18 2w6v h GLY 22 Ca 0.36 0.22 0.14 0.00 0.00 0.00 0.00 47.33 48.05 2w6v h GLY 22 CO -0.55 -0.20 0.44 -2.09 0.00 0.00 0.00 176.54 174.14 2w6v h GLU 23 N -0.49 0.63 -0.33 4.80 4.81 -1.64 -2.09 114.58 120.28 2w6v h GLU 23 Ca -0.03 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2w6v h GLU 23 Cb 0.41 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2w6v h GLU 23 CO 0.01 0.42 -0.45 1.88 -0.73 0.00 0.00 179.01 180.14 2w6v h TYR 24 N 0.65 1.05 -0.34 0.92 0.05 -0.48 -1.48 116.97 117.33 2w6v h TYR 24 Ca 0.45 -0.34 0.03 0.00 0.05 0.00 0.00 58.73 58.93 2w6v h TYR 24 Cb 0.61 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 2w6v h TYR 24 CO -0.09 1.15 0.14 0.78 -1.05 0.00 0.00 178.16 179.10 2w6v h GLY 25 N 0.80 0.45 0.98 3.88 0.00 -0.80 -0.67 103.07 107.71 2w6v h GLY 25 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2w6v h GLY 25 CO 0.10 0.06 0.26 0.00 0.00 0.00 0.00 176.54 176.96 2w6v h ALA 26 N 1.20 0.71 -0.47 3.60 0.00 -1.27 -1.24 119.26 121.79 2w6v h ALA 26 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2w6v h ALA 26 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2w6v h ALA 26 CO -0.13 0.28 0.21 1.49 0.00 0.00 0.00 179.25 181.09 2w6v h GLU 27 N 0.74 0.69 -0.62 0.00 4.81 -1.08 -0.94 114.58 118.18 2w6v h GLU 27 Ca 0.19 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2w6v h GLU 27 Cb 0.12 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2w6v h GLU 27 CO -0.02 0.60 0.37 0.00 -0.73 0.00 0.00 179.01 179.23 2w6v h ALA 28 N 1.06 0.81 -0.42 2.92 0.00 -0.90 0.60 119.26 123.32 2w6v h ALA 28 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2w6v h ALA 28 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2w6v h ALA 28 CO -0.02 0.09 0.22 -0.07 0.00 0.00 0.00 179.25 179.47 2w6v h LEU 29 N 0.71 0.54 -0.60 0.00 3.38 -0.96 0.42 115.31 118.81 2w6v h LEU 29 Ca 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2w6v h LEU 29 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2w6v h LEU 29 CO -0.13 0.49 0.37 -0.08 0.09 0.00 0.00 178.44 179.19 2w6v h GLU 30 N 0.55 0.81 -0.75 1.13 4.81 -0.76 -0.01 114.58 120.37 2w6v h GLU 30 Ca 0.15 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2w6v h GLU 30 Cb 0.08 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 2w6v h GLU 30 CO -0.02 0.57 0.45 0.00 -0.73 0.00 0.00 179.01 179.28 2w6v h ARG 31 N 0.82 0.83 0.13 1.92 3.08 -0.42 -1.20 114.38 119.53 2w6v h ARG 31 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2w6v h ARG 31 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2w6v h ARG 31 CO -0.04 0.55 -0.06 1.98 -1.07 0.00 0.00 179.97 181.32 2w6v h MET 32 N 0.85 -0.17 -0.84 0.04 4.05 -0.20 0.48 114.93 119.14 2w6v h MET 32 Ca 0.32 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.79 2w6v h MET 32 Cb 0.11 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 2w6v h MET 32 CO -0.15 -0.09 0.55 0.74 0.23 0.00 0.00 176.91 178.19 2w6v h PHE 33 N -0.19 1.00 0.20 1.39 0.04 -0.75 0.26 116.94 118.89 2w6v h PHE 33 Ca -0.02 0.02 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 2w6v h PHE 33 Cb 0.15 -0.33 0.03 0.00 2.20 0.00 0.00 35.95 38.00 2w6v h PHE 33 CO -0.06 0.58 -1.17 -0.07 -0.60 0.00 0.00 178.31 176.99 2w6v h LEU 34 N 1.03 0.68 0.06 1.54 3.38 -1.08 -3.26 115.31 117.65 2w6v h LEU 34 Ca 0.34 -0.93 -0.25 0.00 0.09 0.00 0.00 57.88 57.12 2w6v h LEU 34 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2w6v h LEU 34 CO -0.10 1.56 -1.15 0.28 0.09 0.00 0.00 178.44 179.12 2w6v h SER 35 N -0.09 0.34 -2.67 -0.43 0.02 -0.77 -3.39 113.55 106.56 2w6v h SER 35 Ca -0.20 -0.35 -0.60 0.00 -0.84 0.00 0.00 61.79 59.79 2w6v h SER 35 Cb 1.92 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.95 2w6v h SER 35 CO 0.22 1.26 -0.77 0.49 -1.14 0.00 0.00 176.83 176.89 2w6v n PHE 36 N -3.52 1.39 0.26 3.45 3.72 0.91 -4.99 117.46 118.69 2w6v n PHE 36 Ca -0.06 -3.86 0.11 0.00 -0.05 0.00 0.00 57.45 53.59 2w6v n PHE 36 Cb 0.98 -0.24 0.71 0.00 -0.94 0.00 0.00 39.48 39.99 2w6v n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2w6v h PRO 37 N 5.33 0.00 -0.21 -1.08 0.11 -1.71 -1.49 132.00 132.95 2w6v h PRO 37 Ca 0.20 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.37 2w6v h PRO 37 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2w6v h PRO 37 CO 0.57 0.10 0.21 1.79 -0.21 0.00 0.00 178.00 180.46 2w6v h THR 38 N 0.00 0.54 0.00 -1.15 1.35 -1.91 -1.25 112.91 110.49 2w6v h THR 38 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2w6v h THR 38 Cb 0.23 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2w6v h THR 38 CO 0.01 0.00 -0.05 0.71 -0.25 0.00 0.00 175.52 175.94 2w6v h THR 39 N 0.00 0.54 0.00 6.82 1.35 -1.59 -1.88 112.91 118.15 2w6v h THR 39 Ca 0.10 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2w6v h THR 39 Cb 0.51 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2w6v h THR 39 CO -0.00 0.05 -0.01 0.11 -0.25 0.00 0.00 175.52 175.42 2w6v h LYS 40 N 0.00 0.00 -0.05 4.72 1.57 -1.40 -2.72 116.57 118.69 2w6v h LYS 40 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2w6v h LYS 40 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2w6v h LYS 40 CO 0.01 0.01 0.07 1.79 -0.57 0.00 0.00 179.45 180.76 2w6v h THR 41 N 0.00 0.37 -0.00 -0.16 1.35 -1.51 0.15 112.91 113.11 2w6v h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2w6v h THR 41 Cb 0.07 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2w6v h THR 41 CO 0.00 0.00 -0.12 -1.22 -0.25 0.00 0.00 175.52 173.93 2w6v n TYR 42 N -3.62 0.00 -2.39 4.73 4.01 -1.03 -4.33 117.16 114.53 2w6v n TYR 42 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2w6v n TYR 42 Cb 0.16 -0.32 0.02 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.30 2.33 0.27 -0.72 3.72 0.53 -4.87 117.46 117.43 2w6v n PHE 43 Ca 0.10 -2.45 0.17 0.00 -0.05 0.00 0.00 57.45 55.22 2w6v n PHE 43 Cb 0.30 -0.26 0.62 0.00 -0.94 0.00 0.00 39.48 39.20 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 2.46 0.00 -0.00 -1.08 0.13 -1.75 -2.29 132.00 129.47 2w6v h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2w6v h PRO 44 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2w6v h PRO 44 CO 0.61 0.00 -0.35 -2.39 -0.23 0.00 0.00 178.00 175.64 2w6v n HIS 45 N -3.08 0.00 -3.05 1.56 1.44 -1.26 -4.95 115.22 105.89 2w6v n HIS 45 Ca 0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.37 2w6v n HIS 45 Cb 0.33 -0.25 -0.06 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.84 3.55 -0.56 -1.40 2.99 -0.86 -5.02 117.98 113.83 2w6v s PHE 46 Ca 0.16 1.41 -0.27 0.00 0.00 0.00 0.00 56.93 58.23 2w6v s PHE 46 Cb 0.18 -2.65 0.03 0.00 0.00 0.00 0.00 43.02 40.59 2w6v s PHE 46 CO 0.62 0.21 1.09 0.34 -0.00 0.00 0.00 175.22 177.48 2w6v s ASP 47 N -1.87 6.41 0.00 1.36 2.15 -1.26 -4.85 116.67 118.61 2w6v s ASP 47 Ca 0.49 -0.05 0.21 0.00 0.43 0.00 0.00 52.55 53.63 2w6v s ASP 47 Cb -0.14 -2.51 0.55 0.00 -0.30 0.00 0.00 42.92 40.52 2w6v s ASP 47 CO 0.20 -1.37 1.45 0.18 -0.17 0.00 0.00 175.17 175.45 2w6v n LEU 48 N 8.04 2.68 -4.73 -1.34 4.77 -1.26 -4.29 117.00 120.88 2w6v n LEU 48 Ca 0.06 -1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 54.49 2w6v n LEU 48 Cb 0.48 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2w6v n LEU 48 CO 0.69 0.59 0.90 -1.54 -1.33 0.00 0.00 177.39 176.69 2w6v n SER 49 N 0.98 2.01 -4.64 -1.43 3.41 -1.26 -4.85 113.62 107.84 2w6v n SER 49 Ca 0.18 0.81 -0.50 0.00 -0.26 0.00 0.00 58.87 59.10 2w6v n SER 49 Cb 0.48 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 62.82 2w6v n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2w6v n HIS 50 N -2.03 1.95 -0.98 7.33 -0.00 -1.26 -1.77 115.22 118.46 2w6v n HIS 50 Ca 0.16 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.75 2w6v n HIS 50 Cb 0.48 -2.46 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 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 3.20 0.64 3.70 1.57 0.00 -1.26 -5.01 105.19 108.03 2w6v n GLY 51 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2w6v n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2w6v n SER 52 N -0.06 2.50 -0.17 1.61 3.41 -0.73 -4.85 113.62 115.33 2w6v n SER 52 Ca 0.00 1.08 0.01 0.00 -0.26 0.00 0.00 58.87 59.71 2w6v n SER 52 Cb 0.03 -1.50 0.28 0.00 -0.26 0.00 0.00 64.21 62.75 2w6v n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w6v h ALA 53 N 1.97 1.50 -0.40 7.33 0.00 -1.91 -1.57 119.26 126.18 2w6v h ALA 53 Ca -0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2w6v h ALA 53 Cb 1.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2w6v h ALA 53 CO 0.59 0.46 0.22 1.96 0.00 0.00 0.00 179.25 182.48 2w6v h GLN 54 N 0.92 0.55 -0.31 0.00 4.20 -1.91 0.16 115.11 118.73 2w6v h GLN 54 Ca 0.25 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2w6v h GLN 54 Cb -0.10 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2w6v h GLN 54 CO -0.05 0.43 0.08 0.28 -0.67 0.00 0.00 178.83 178.90 2w6v h VAL 55 N 0.51 1.21 -0.66 -0.54 2.07 -1.68 -0.75 116.25 116.42 2w6v h VAL 55 Ca 0.14 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2w6v h VAL 55 Cb 0.04 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2w6v h VAL 55 CO -0.02 0.24 0.41 0.11 0.02 0.00 0.00 177.57 178.32 2w6v h LYS 56 N 0.34 0.77 -0.30 1.57 1.57 -1.18 0.28 116.57 119.62 2w6v h LYS 56 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2w6v h LYS 56 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2w6v h LYS 56 CO -0.00 0.51 0.05 0.78 -0.57 0.00 0.00 179.45 180.22 2w6v h GLY 57 N 0.79 0.53 1.27 3.86 0.00 -0.60 -1.78 103.07 107.15 2w6v h GLY 57 Ca 0.27 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 2w6v h GLY 57 CO -0.11 0.33 -0.18 0.84 0.00 0.00 0.00 176.54 177.42 2w6v h HIS 58 N 0.32 0.95 -0.36 5.60 -0.00 -0.99 -2.18 115.15 118.49 2w6v h HIS 58 Ca 0.09 -0.21 0.07 0.00 -0.00 0.00 0.00 60.37 60.33 2w6v h HIS 58 Cb 0.34 -0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.46 2w6v h HIS 58 CO 0.02 0.95 -0.06 0.78 -0.00 0.00 0.00 177.93 179.62 2w6v h GLY 59 N 0.95 0.29 1.00 5.26 0.00 -0.32 -1.09 103.07 109.16 2w6v h GLY 59 Ca 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2w6v h GLY 59 CO 0.05 -0.12 0.35 1.70 0.00 0.00 0.00 176.54 178.52 2w6v h LYS 60 N 0.03 0.81 -0.61 4.80 1.63 -1.03 -0.52 116.57 121.68 2w6v h LYS 60 Ca 0.18 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2w6v h LYS 60 Cb 0.26 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2w6v h LYS 60 CO -0.35 0.60 0.33 0.87 -3.45 0.00 0.00 179.45 177.44 2w6v h LYS 61 N 0.81 0.86 0.08 1.90 1.57 -0.98 0.70 116.57 121.51 2w6v h LYS 61 Ca 0.21 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2w6v h LYS 61 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2w6v h LYS 61 CO -0.04 0.66 -0.04 0.28 -0.57 0.00 0.00 179.45 179.74 2w6v h VAL 62 N 0.83 1.00 -0.39 0.50 2.07 -1.05 -1.17 116.25 118.04 2w6v h VAL 62 Ca 0.21 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2w6v h VAL 62 Cb 0.05 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2w6v h VAL 62 CO -0.03 0.07 -0.23 0.00 0.02 0.00 0.00 177.57 177.39 2w6v h ALA 63 N 0.68 0.02 -0.60 1.67 0.00 -0.93 -1.56 119.26 118.54 2w6v h ALA 63 Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2w6v h ALA 63 Cb 0.19 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2w6v h ALA 63 CO 0.02 -0.61 0.21 -0.44 0.00 0.00 0.00 179.25 178.43 2w6v h ASP 64 N -0.17 0.83 -0.53 0.00 3.32 -0.75 0.11 116.42 119.23 2w6v h ASP 64 Ca 0.19 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2w6v h ASP 64 Cb 0.46 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2w6v h ASP 64 CO -0.49 0.77 0.20 0.00 -1.72 0.00 0.00 179.24 178.00 2w6v h ALA 65 N 1.35 0.69 -0.84 3.45 0.00 -0.89 -0.90 119.26 122.12 2w6v h ALA 65 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2w6v h ALA 65 Cb 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2w6v h ALA 65 CO -0.01 0.32 0.55 -0.07 0.00 0.00 0.00 179.25 180.04 2w6v h LEU 66 N 0.73 0.93 -0.52 0.00 3.38 -0.82 -0.23 115.31 118.78 2w6v h LEU 66 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2w6v h LEU 66 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2w6v h LEU 66 CO -0.01 0.65 0.31 0.74 0.09 0.00 0.00 178.44 180.22 2w6v h THR 67 N 1.09 1.16 -0.34 0.22 2.02 -0.74 -0.42 112.91 115.92 2w6v h THR 67 Ca 0.33 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2w6v h THR 67 Cb -0.05 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 2w6v h THR 67 CO -0.10 0.17 0.12 -1.13 0.37 0.00 0.00 175.52 174.95 2w6v h ASN 68 N 0.69 0.14 -0.37 4.18 -1.24 -0.85 -0.57 115.58 117.57 2w6v h ASN 68 Ca 0.19 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2w6v h ASN 68 Cb -0.00 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2w6v h ASN 68 CO -0.03 0.12 0.23 0.00 -1.29 0.00 0.00 177.43 176.45 2w6v h ALA 69 N 1.21 0.47 -0.51 1.57 0.00 -0.70 -1.50 119.26 119.81 2w6v h ALA 69 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2w6v h ALA 69 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2w6v h ALA 69 CO -0.15 -0.05 0.30 0.28 0.00 0.00 0.00 179.25 179.64 2w6v h VAL 70 N 0.49 1.04 0.00 0.00 2.07 -0.80 -0.88 116.25 118.17 2w6v h VAL 70 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2w6v h VAL 70 Cb -0.02 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2w6v h VAL 70 CO -0.03 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 2w6v h ALA 71 N 1.23 1.84 -0.78 1.67 0.00 -0.88 -3.02 119.26 119.32 2w6v h ALA 71 Ca 0.21 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.65 2w6v h ALA 71 Cb 0.03 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.40 2w6v h ALA 71 CO -0.10 0.02 -0.93 0.72 0.00 0.00 0.00 179.25 178.97 2w6v n HIS 72 N -4.32 2.28 -0.07 0.00 8.25 -0.58 -4.89 115.22 115.88 2w6v n HIS 72 Ca -0.03 -2.36 0.09 0.00 -0.26 0.00 0.00 57.72 55.17 2w6v n HIS 72 Cb 0.10 -0.28 0.47 0.00 1.12 0.00 0.00 29.99 31.40 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 3.30 0.96 0.00 1.59 3.04 -1.04 0.70 116.25 124.79 2w6v h VAL 73 Ca 0.17 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2w6v h VAL 73 Cb 1.35 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2w6v h VAL 73 CO 0.58 0.09 0.00 0.44 -1.01 0.00 0.00 177.57 177.67 2w6v h ASP 74 N 0.47 0.00 -0.68 3.17 3.32 -1.88 -3.32 116.42 117.50 2w6v h ASP 74 Ca 0.25 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.00 2w6v h ASP 74 Cb 0.37 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.53 2w6v h ASP 74 CO -0.07 0.00 -1.11 -0.67 -1.72 0.00 0.00 179.24 175.67 2w6v n ASP 75 N -2.42 1.31 -0.05 6.45 2.03 0.20 -4.96 116.55 119.11 2w6v n ASP 75 Ca 0.01 -2.37 -0.04 0.00 0.52 0.00 0.00 54.79 52.91 2w6v n ASP 75 Cb 0.22 -0.42 0.19 0.00 -0.72 0.00 0.00 41.12 40.38 2w6v n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2w6v h MET 76 N 2.73 0.66 -0.37 -0.67 2.86 -1.57 -2.17 114.93 116.39 2w6v h MET 76 Ca -0.13 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 2w6v h MET 76 Cb 1.23 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 2w6v h MET 76 CO 0.32 0.75 0.07 -1.35 1.06 0.00 0.00 176.91 177.75 2w6v h PRO 77 N 0.60 0.18 -0.29 -0.22 0.11 -1.93 -0.02 132.00 130.43 2w6v h PRO 77 Ca 0.11 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 2w6v h PRO 77 Cb 0.53 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2w6v h PRO 77 CO 0.03 0.12 0.06 -0.91 -0.21 0.00 0.00 178.00 177.09 2w6v h ASN 78 N 0.19 0.45 -0.26 -2.05 -0.26 -1.96 -1.96 115.58 109.73 2w6v h ASN 78 Ca 0.18 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2w6v h ASN 78 Cb 0.21 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 2w6v h ASN 78 CO -0.24 0.58 0.17 0.00 -1.06 0.00 0.00 177.43 176.88 2w6v h ALA 79 N 0.89 1.82 -0.46 -0.83 0.00 -1.14 -2.69 119.26 116.85 2w6v h ALA 79 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2w6v h ALA 79 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2w6v h ALA 79 CO 0.00 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2w6v n LEU 80 N -4.50 3.50 -0.09 0.00 4.77 -0.04 -4.74 117.00 115.90 2w6v n LEU 80 Ca 0.01 -2.17 -0.08 0.00 -0.03 0.00 0.00 56.01 53.74 2w6v n LEU 80 Cb 0.07 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2w6v n LEU 80 CO 0.35 0.79 0.67 -1.28 -1.33 0.00 0.00 177.39 176.59 2w6v h SER 81 N 2.77 -0.94 -0.93 -1.43 0.87 -0.99 0.23 113.55 113.12 2w6v h SER 81 Ca 0.00 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2w6v h SER 81 Cb 0.96 0.44 -0.06 0.00 -0.44 0.00 0.00 62.40 63.31 2w6v h SER 81 CO 0.05 -0.30 0.60 0.00 -0.53 0.00 0.00 176.83 176.65 2w6v h ALA 82 N 0.79 1.25 -0.41 6.23 0.00 -1.85 -1.29 119.26 123.99 2w6v h ALA 82 Ca 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2w6v h ALA 82 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2w6v h ALA 82 CO -0.47 0.43 -0.22 1.25 0.00 0.00 0.00 179.25 180.23 2w6v h LEU 83 N 1.13 0.90 -0.69 0.00 5.85 -1.67 -1.23 115.31 119.60 2w6v h LEU 83 Ca 0.38 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2w6v h LEU 83 Cb 0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2w6v h LEU 83 CO -0.14 1.11 0.31 0.77 -0.34 0.00 0.00 178.44 180.15 2w6v h SER 84 N 0.68 0.92 -0.45 1.25 4.64 -0.40 -1.72 113.55 118.48 2w6v h SER 84 Ca 0.09 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2w6v h SER 84 Cb 0.78 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 2w6v h SER 84 CO 0.06 0.81 0.19 0.44 -0.87 0.00 0.00 176.83 177.46 2w6v h ASP 85 N 0.97 0.24 -0.40 4.97 3.32 -0.96 -1.54 116.42 123.02 2w6v h ASP 85 Ca 0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2w6v h ASP 85 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2w6v h ASP 85 CO -0.03 0.17 0.16 0.25 -1.72 0.00 0.00 179.24 178.08 2w6v h LEU 86 N 0.38 0.55 -0.47 1.55 5.85 -1.01 0.91 115.31 123.07 2w6v h LEU 86 Ca 0.20 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 2w6v h LEU 86 Cb 0.16 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2w6v h LEU 86 CO -0.18 0.56 -0.45 0.45 -0.34 0.00 0.00 178.44 178.48 2w6v h HIS 87 N 0.50 0.93 -0.31 1.25 3.86 -1.22 -1.23 115.15 118.93 2w6v h HIS 87 Ca 0.13 -0.30 -0.13 0.00 -1.16 0.00 0.00 60.37 58.92 2w6v h HIS 87 Cb 0.19 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 2w6v h HIS 87 CO -0.00 1.08 -0.31 0.00 0.86 0.00 0.00 177.93 179.56 2w6v h ALA 88 N 0.87 0.46 0.00 2.45 0.00 -1.00 0.22 119.26 122.26 2w6v h ALA 88 Ca 0.04 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 2w6v h ALA 88 Cb 1.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2w6v h ALA 88 CO 0.10 0.49 -2.25 0.72 0.00 0.00 0.00 179.25 178.31 2w6v n HIS 89 N -4.22 0.00 0.00 0.00 8.25 0.29 -4.58 115.22 114.97 2w6v n HIS 89 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2w6v n HIS 89 Cb 0.49 -0.83 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 2w6v n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2w6v n LYS 90 N -2.58 0.02 -0.09 -0.41 5.02 -0.68 -4.87 118.16 114.58 2w6v n LYS 90 Ca -0.23 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 55.96 2w6v n LYS 90 Cb 0.96 -0.23 -0.04 0.00 -0.02 0.00 0.00 35.03 35.70 2w6v n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2w6v h LEU 91 N -0.05 0.44 -1.30 -0.35 3.38 -1.38 -3.47 115.31 112.58 2w6v h LEU 91 Ca 0.00 -0.27 -0.39 0.00 0.09 0.00 0.00 57.88 57.31 2w6v h LEU 91 Cb 0.05 -0.12 0.10 0.00 0.09 0.00 0.00 40.66 40.78 2w6v h LEU 91 CO 0.00 0.60 -0.75 0.54 0.09 0.00 0.00 178.44 178.92 2w6v n ARG 92 N -4.65 -6.59 -2.42 1.13 1.74 0.76 -4.93 116.66 101.69 2w6v n ARG 92 Ca -0.03 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 2w6v n ARG 92 Cb 0.21 -5.69 -0.03 0.00 -1.02 0.00 0.00 32.46 25.93 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 3.92 0.25 1.55 1.01 -1.26 -4.95 120.40 117.53 2w6v s VAL 93 Ca 0.30 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 2w6v s VAL 93 Cb -0.14 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 2w6v s VAL 93 CO 0.76 0.15 1.63 -0.67 0.00 0.00 0.00 175.10 176.98 2w6v n ASP 94 N 3.44 3.79 -0.09 3.32 -0.08 -1.26 -4.82 116.55 120.85 2w6v n ASP 94 Ca 0.07 1.11 0.26 0.00 -1.51 0.00 0.00 54.79 54.72 2w6v n ASP 94 Cb 0.46 -1.56 0.69 0.00 2.34 0.00 0.00 41.12 43.05 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 5.59 0.00 -0.74 -0.67 0.11 -2.00 -1.65 132.00 132.64 2w6v h PRO 95 Ca -0.45 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 2w6v h PRO 95 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2w6v h PRO 95 CO 0.86 0.00 0.49 0.28 -0.21 0.00 0.00 178.00 179.42 2w6v h VAL 96 N 0.00 0.93 0.00 3.15 2.07 -2.03 -2.77 116.25 117.59 2w6v h VAL 96 Ca 0.36 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2w6v h VAL 96 Cb 1.74 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2w6v h VAL 96 CO -0.00 0.12 -0.17 0.78 0.02 0.00 0.00 177.57 178.31 2w6v h ASN 97 N 0.63 0.00 -0.68 0.57 2.35 -1.65 -2.80 115.58 114.01 2w6v h ASN 97 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 2w6v h ASN 97 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2w6v h ASN 97 CO -0.12 0.17 0.39 -0.26 -1.65 0.00 0.00 177.43 175.96 2w6v h PHE 98 N 0.00 0.92 -0.43 1.19 0.04 -1.67 0.39 116.94 117.38 2w6v h PHE 98 Ca -0.00 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 2w6v h PHE 98 Cb 0.47 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2w6v h PHE 98 CO 0.00 0.63 -0.15 0.87 -0.60 0.00 0.00 178.31 179.06 2w6v h LYS 99 N 0.96 0.79 0.11 1.51 1.57 -1.66 0.88 116.57 120.73 2w6v h LYS 99 Ca 0.25 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2w6v h LYS 99 Cb -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2w6v h LYS 99 CO -0.04 0.90 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.61 2w6v h LEU 100 N 0.71 -0.13 -0.61 2.94 3.38 -1.48 -0.54 115.31 119.59 2w6v h LEU 100 Ca 0.11 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2w6v h LEU 100 Cb 0.64 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2w6v h LEU 100 CO 0.05 0.22 0.31 0.25 0.09 0.00 0.00 178.44 179.36 2w6v h LEU 101 N -0.49 0.43 -0.46 1.67 5.85 -0.88 -1.89 115.31 119.54 2w6v h LEU 101 Ca -0.02 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2w6v h LEU 101 Cb 0.40 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2w6v h LEU 101 CO 0.03 0.28 0.21 0.28 -0.34 0.00 0.00 178.44 178.89 2w6v h SER 102 N 0.57 0.28 -0.38 1.25 0.02 -0.70 0.67 113.55 115.25 2w6v h SER 102 Ca 0.28 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 2w6v h SER 102 Cb 0.22 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2w6v h SER 102 CO -0.20 0.20 0.14 -0.74 -1.14 0.00 0.00 176.83 175.08 2w6v h HIS 103 N 0.42 0.25 -0.46 3.45 -0.00 -0.96 -0.75 115.15 117.09 2w6v h HIS 103 Ca 0.20 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.52 2w6v h HIS 103 Cb 0.14 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2w6v h HIS 103 CO -0.12 0.10 -0.02 0.00 -0.00 0.00 0.00 177.93 177.90 2w6v h LEU 105 N 0.71 0.94 -0.48 0.00 3.38 -0.56 -1.67 115.31 117.63 2w6v h LEU 105 Ca 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2w6v h LEU 105 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2w6v h LEU 105 CO 0.02 0.85 0.09 0.25 0.09 0.00 0.00 178.44 179.74 2w6v h LEU 106 N 0.97 0.75 -0.86 1.67 5.85 -0.70 -0.53 115.31 122.47 2w6v h LEU 106 Ca 0.23 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2w6v h LEU 106 Cb 0.20 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2w6v h LEU 106 CO -0.02 0.82 0.34 0.58 -0.34 0.00 0.00 178.44 179.82 2w6v h VAL 107 N 0.66 1.26 -0.03 1.05 2.07 -1.12 -0.47 116.25 119.67 2w6v h VAL 107 Ca 0.15 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2w6v h VAL 107 Cb 0.38 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2w6v h VAL 107 CO 0.01 0.32 0.01 0.74 0.02 0.00 0.00 177.57 178.67 2w6v h THR 108 N 1.15 1.12 -0.37 2.57 2.02 -0.86 -0.67 112.91 117.87 2w6v h THR 108 Ca 0.27 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2w6v h THR 108 Cb 0.18 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 2w6v h THR 108 CO -0.03 0.09 -0.09 -0.07 0.37 0.00 0.00 175.52 175.79 2w6v h LEU 109 N -0.10 -0.35 -0.70 2.58 3.38 -0.94 -1.68 115.31 117.50 2w6v h LEU 109 Ca 0.01 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2w6v h LEU 109 Cb 0.14 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2w6v h LEU 109 CO -0.00 -0.12 0.44 0.00 0.09 0.00 0.00 178.44 178.85 2w6v h ALA 110 N 1.36 0.90 0.00 1.53 0.00 -0.91 0.12 119.26 122.27 2w6v h ALA 110 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2w6v h ALA 110 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2w6v h ALA 110 CO -0.38 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 2w6v h ALA 111 N 1.29 1.14 -0.00 0.00 0.00 -0.62 -3.24 119.26 117.82 2w6v h ALA 111 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2w6v h ALA 111 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2w6v h ALA 111 CO -0.10 0.15 -0.34 0.72 0.00 0.00 0.00 179.25 179.68 2w6v n HIS 112 N -3.43 0.00 -3.06 0.00 -0.00 -0.68 -4.75 115.22 103.30 2w6v n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 2w6v n HIS 112 Cb 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.23 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 -0.75 3.56 -0.31 2.41 4.77 0.40 -4.90 117.00 122.17 2w6v n LEU 113 Ca 0.03 -5.49 0.00 0.00 -0.03 0.00 0.00 56.01 50.52 2w6v n LEU 113 Cb 0.18 -0.30 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2w6v n LEU 113 CO 0.16 2.29 1.19 1.55 -1.33 0.00 0.00 177.39 181.26 2w6v h PRO 114 N 3.20 0.95 -0.27 3.23 0.13 -1.84 -1.06 132.00 136.34 2w6v h PRO 114 Ca 0.13 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 65.07 2w6v h PRO 114 Cb 0.62 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2w6v h PRO 114 CO 0.75 0.63 -0.39 0.00 -0.23 0.00 0.00 178.00 178.76 2w6v h ALA 115 N 1.39 0.83 0.00 -0.56 0.00 -1.95 -3.34 119.26 115.63 2w6v h ALA 115 Ca 0.36 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2w6v h ALA 115 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2w6v h ALA 115 CO -0.16 0.65 -1.58 0.39 0.00 0.00 0.00 179.25 178.55 2w6v n GLU 116 N -4.04 0.63 -1.41 0.00 -0.58 -0.88 -4.66 120.64 109.70 2w6v n GLU 116 Ca -0.02 0.15 -0.39 0.00 -0.42 0.00 0.00 57.16 56.48 2w6v n GLU 116 Cb 0.51 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 2w6v n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2w6v n PHE 117 N -2.80 2.46 -1.28 -0.32 7.35 -0.45 -4.74 117.46 117.67 2w6v n PHE 117 Ca -0.12 -3.06 -0.29 0.00 -0.76 0.00 0.00 57.45 53.22 2w6v n PHE 117 Cb 0.84 -2.41 0.14 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 1.71 2.49 0.21 -2.13 -4.23 -1.26 -4.73 115.64 107.71 2w6v s THR 118 Ca 0.67 0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 2w6v s THR 118 Cb 0.18 -2.72 0.16 0.00 1.34 0.00 0.00 72.50 71.47 2w6v s THR 118 CO -0.07 -0.21 1.73 -0.65 -0.54 0.00 0.00 174.62 174.89 2w6v h PRO 119 N -1.57 0.37 -0.77 3.99 0.11 -1.99 0.69 132.00 132.84 2w6v h PRO 119 Ca -0.51 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2w6v h PRO 119 Cb 1.30 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2w6v h PRO 119 CO 0.57 0.24 0.50 0.00 -0.21 0.00 0.00 178.00 179.10 2w6v h ALA 120 N 1.46 0.99 -0.24 -0.75 0.00 -1.96 -1.40 119.26 117.35 2w6v h ALA 120 Ca 0.33 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2w6v h ALA 120 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2w6v h ALA 120 CO -0.35 0.35 -0.25 0.28 0.00 0.00 0.00 179.25 179.28 2w6v h VAL 121 N 1.00 1.32 -0.50 0.00 2.07 -1.73 -1.68 116.25 116.72 2w6v h VAL 121 Ca 0.29 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.49 2w6v h VAL 121 Cb -0.06 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 2w6v h VAL 121 CO -0.08 0.44 -0.32 -0.74 0.02 0.00 0.00 177.57 176.89 2w6v h HIS 122 N 0.29 -0.87 -0.24 1.57 6.17 -0.67 0.17 115.15 121.57 2w6v h HIS 122 Ca 0.04 0.06 0.04 0.00 0.71 0.00 0.00 60.37 61.22 2w6v h HIS 122 Cb 0.81 0.46 -0.04 0.00 2.52 0.00 0.00 27.41 31.16 2w6v h HIS 122 CO 0.08 -0.37 0.01 0.00 0.71 0.00 0.00 177.93 178.36 2w6v h ALA 123 N 0.93 0.22 -0.61 5.26 0.00 -1.06 -0.75 119.26 123.24 2w6v h ALA 123 Ca 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2w6v h ALA 123 Cb 0.54 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2w6v h ALA 123 CO -0.61 -0.41 0.32 0.77 0.00 0.00 0.00 179.25 179.32 2w6v h SER 124 N 0.09 0.78 -0.49 0.00 0.02 -0.71 -1.12 113.55 112.11 2w6v h SER 124 Ca 0.11 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2w6v h SER 124 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2w6v h SER 124 CO -0.18 0.67 0.14 -0.07 -1.14 0.00 0.00 176.83 176.25 2w6v h LEU 125 N 0.84 0.73 -0.18 5.07 3.38 -0.46 0.25 115.31 124.93 2w6v h LEU 125 Ca 0.21 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w6v h LEU 125 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2w6v h LEU 125 CO -0.03 0.75 0.12 -0.78 0.09 0.00 0.00 178.44 178.59 2w6v h ASP 126 N 0.67 0.22 -0.78 -0.43 3.58 -0.77 -0.94 116.42 117.97 2w6v h ASP 126 Ca 0.16 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.64 2w6v h ASP 126 Cb 0.29 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2w6v h ASP 126 CO -0.00 0.18 0.47 0.11 -2.88 0.00 0.00 179.24 177.12 2w6v h LYS 127 N 0.23 0.85 -0.24 0.28 1.57 -1.08 -1.31 116.57 116.88 2w6v h LYS 127 Ca 0.07 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2w6v h LYS 127 Cb -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2w6v h LYS 127 CO -0.01 0.56 0.03 0.35 -0.57 0.00 0.00 179.45 179.81 2w6v h PHE 128 N 0.88 0.43 -0.61 -1.35 3.57 -0.39 0.10 116.94 119.57 2w6v h PHE 128 Ca 0.33 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2w6v h PHE 128 Cb 0.14 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2w6v h PHE 128 CO -0.05 0.53 0.11 -0.07 -2.23 0.00 0.00 178.31 176.61 2w6v h LEU 129 N 0.20 0.92 -0.55 0.59 3.38 -1.10 -0.06 115.31 118.69 2w6v h LEU 129 Ca 0.07 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2w6v h LEU 129 Cb 0.34 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2w6v h LEU 129 CO 0.01 0.92 0.29 0.00 0.09 0.00 0.00 178.44 179.74 2w6v h ALA 130 N 1.20 0.71 -0.57 1.53 0.00 -0.98 -0.98 119.26 120.17 2w6v h ALA 130 Ca 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2w6v h ALA 130 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2w6v h ALA 130 CO 0.01 -0.04 0.18 1.03 0.00 0.00 0.00 179.25 180.43 2w6v h SER 131 N 0.56 0.83 -0.54 0.00 0.87 -0.10 -0.51 113.55 114.66 2w6v h SER 131 Ca 0.24 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2w6v h SER 131 Cb 0.14 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2w6v h SER 131 CO -0.16 0.81 0.35 0.58 -0.53 0.00 0.00 176.83 177.89 2w6v h VAL 132 N 0.80 1.14 -0.51 2.23 2.07 -0.86 -1.32 116.25 119.81 2w6v h VAL 132 Ca 0.19 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2w6v h VAL 132 Cb 0.28 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2w6v h VAL 132 CO -0.01 0.14 0.29 0.28 0.02 0.00 0.00 177.57 178.29 2w6v h SER 133 N 0.73 0.62 -0.20 0.57 0.02 -0.86 -0.00 113.55 114.43 2w6v h SER 133 Ca 0.20 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2w6v h SER 133 Cb -0.07 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 2w6v h SER 133 CO -0.04 0.52 -0.07 0.74 -1.14 0.00 0.00 176.83 176.84 2w6v h THR 134 N 0.67 0.75 -0.39 -2.27 2.02 -0.84 -1.16 112.91 111.70 2w6v h THR 134 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 2w6v h THR 134 Cb 0.03 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2w6v h THR 134 CO -0.03 0.00 0.18 0.58 0.37 0.00 0.00 175.52 176.62 2w6v h VAL 135 N -0.04 0.96 0.00 3.16 2.07 -0.82 -1.17 116.25 120.41 2w6v h VAL 135 Ca 0.10 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2w6v h VAL 135 Cb 0.19 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2w6v h VAL 135 CO -0.23 0.07 -0.05 -0.07 0.02 0.00 0.00 177.57 177.31 2w6v h LEU 136 N 0.37 0.00 -1.95 2.57 3.38 -0.66 -2.49 115.31 116.52 2w6v h LEU 136 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2w6v h LEU 136 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2w6v h LEU 136 CO -0.13 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.80 2w6v n THR 137 N -3.23 0.19 0.25 0.22 -2.24 -0.47 -4.49 114.28 104.52 2w6v n THR 137 Ca -0.01 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2w6v n THR 137 Cb 0.26 1.23 0.66 0.00 -2.10 0.00 0.00 70.33 70.39 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 3.76 0.00 -0.45 3.42 4.64 -0.74 -2.72 113.55 121.45 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 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2w6v h SER 138 CO 0.00 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 2w6v n LYS 139 N -3.76 2.49 0.10 4.77 5.02 -1.26 -4.63 118.16 120.88 2w6v n LYS 139 Ca -0.02 -2.25 0.16 0.00 -2.02 0.00 0.00 58.31 54.18 2w6v n LYS 139 Cb 0.25 -1.45 0.68 0.00 -0.02 0.00 0.00 35.03 34.50 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 3.65 0.00 0.00 2.13 0.99 -1.79 -3.46 116.97 118.49 2w6v h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2w6v h TYR 140 Cb 0.88 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.61 2w6v h TYR 140 CO 0.30 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.35