#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwt s LEU 2 N 0.00 4.12 0.73 1.34 1.43 -1.26 -5.05 118.68 119.99 1vwt s LEU 2 Ca 0.00 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1vwt s LEU 2 Cb 0.00 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.22 1vwt s LEU 2 CO 0.00 -0.70 1.08 -0.94 0.23 0.00 0.00 176.35 176.02 1vwt s SER 3 N 1.79 5.17 0.33 2.29 1.04 -1.26 -4.78 113.70 118.28 1vwt s SER 3 Ca 0.31 1.32 0.07 0.00 0.48 0.00 0.00 55.95 58.14 1vwt s SER 3 Cb -0.13 -2.14 0.77 0.00 0.10 0.00 0.00 66.02 64.61 1vwt s SER 3 CO 0.16 -1.54 1.84 -0.65 0.98 0.00 0.00 173.24 174.03 1vwt h PRO 4 N -0.79 0.73 -0.62 4.02 0.11 -1.99 0.89 132.00 134.35 1vwt h PRO 4 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1vwt h PRO 4 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1vwt h PRO 4 CO 0.61 0.48 0.05 0.00 -0.21 0.00 0.00 178.00 178.93 1vwt h ALA 5 N 1.59 0.91 -0.40 -0.75 0.00 -1.99 -0.60 119.26 118.03 1vwt h ALA 5 Ca 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1vwt h ALA 5 Cb 0.74 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vwt h ALA 5 CO -0.25 0.66 0.20 -0.44 0.00 0.00 0.00 179.25 179.42 1vwt h ASP 6 N 0.98 0.51 -0.76 0.00 3.32 -1.26 -0.30 116.42 118.92 1vwt h ASP 6 Ca 0.18 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1vwt h ASP 6 Cb 0.49 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1vwt h ASP 6 CO 0.02 0.48 0.33 0.11 -1.72 0.00 0.00 179.24 178.46 1vwt h LYS 7 N 0.50 1.13 -0.40 3.56 1.57 -0.77 -0.95 116.57 121.22 1vwt h LYS 7 Ca 0.14 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1vwt h LYS 7 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1vwt h LYS 7 CO -0.02 0.90 0.06 1.15 -0.57 0.00 0.00 179.45 180.97 1vwt h THR 8 N 1.11 1.24 -0.34 -0.16 2.02 -0.78 -1.74 112.91 114.26 1vwt h THR 8 Ca 0.26 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1vwt h THR 8 Cb 0.17 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1vwt h THR 8 CO -0.03 0.30 0.17 0.78 0.37 0.00 0.00 175.52 177.11 1vwt h ASN 9 N 0.51 0.43 -0.29 4.18 2.35 -0.70 -1.39 115.58 120.67 1vwt h ASN 9 Ca 0.12 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1vwt h ASN 9 Cb 0.38 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1vwt h ASN 9 CO 0.01 0.42 0.09 0.58 -1.65 0.00 0.00 177.43 176.88 1vwt h VAL 10 N 0.41 1.20 -0.70 2.81 2.07 -1.11 -1.03 116.25 119.91 1vwt h VAL 10 Ca 0.12 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1vwt h VAL 10 Cb 0.10 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1vwt h VAL 10 CO -0.02 0.21 0.35 0.11 0.02 0.00 0.00 177.57 178.25 1vwt h LYS 11 N 0.31 1.00 -0.07 1.57 1.57 -1.26 0.56 116.57 120.24 1vwt h LYS 11 Ca 0.09 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1vwt h LYS 11 Cb 0.24 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1vwt h LYS 11 CO -0.00 0.77 0.03 0.00 -0.57 0.00 0.00 179.45 179.67 1vwt h ALA 12 N 1.17 0.10 -0.58 3.86 0.00 -1.13 0.13 119.26 122.82 1vwt h ALA 12 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1vwt h ALA 12 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1vwt h ALA 12 CO -0.03 -0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.14 1vwt h ALA 13 N 0.85 0.75 -0.12 0.00 0.00 -1.01 -2.50 119.26 117.24 1vwt h ALA 13 Ca 0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1vwt h ALA 13 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1vwt h ALA 13 CO -0.00 0.37 -0.52 2.35 0.00 0.00 0.00 179.25 181.45 1vwt h TRP 14 N 0.80 0.39 -0.48 0.00 2.91 -0.84 -2.49 115.95 116.24 1vwt h TRP 14 Ca 0.19 -0.13 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1vwt h TRP 14 Cb 0.21 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1vwt h TRP 14 CO 0.01 0.77 0.28 0.78 -1.03 0.00 0.00 178.44 179.25 1vwt h GLY 15 N 1.30 0.70 1.72 2.65 0.00 -0.50 -1.22 103.07 107.72 1vwt h GLY 15 Ca 0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1vwt h GLY 15 CO 0.08 0.28 -0.41 1.70 0.00 0.00 0.00 176.54 178.19 1vwt h LYS 16 N 0.66 0.32 -0.42 4.80 3.11 -1.01 -2.84 116.57 121.19 1vwt h LYS 16 Ca 0.17 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1vwt h LYS 16 Cb -0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1vwt h LYS 16 CO -0.03 0.68 0.22 0.28 -2.81 0.00 0.00 179.45 177.79 1vwt h VAL 17 N 0.26 1.16 0.00 2.00 2.07 -0.91 -3.46 116.25 117.37 1vwt h VAL 17 Ca 0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1vwt h VAL 17 Cb 0.84 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1vwt h VAL 17 CO 0.07 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1vwt n GLY 18 N -0.97 3.06 0.00 2.17 0.00 -0.94 -1.44 105.19 107.07 1vwt n GLY 18 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1vwt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwt n ALA 19 N 10.05 2.33 1.06 4.61 0.00 -1.26 -2.74 120.51 134.55 1vwt n ALA 19 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1vwt n ALA 19 Cb 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 19.45 18.21 1vwt n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwt n HIS 20 N -0.98 0.00 -0.31 0.00 -0.00 -0.52 -4.49 115.22 108.92 1vwt n HIS 20 Ca 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.93 1vwt n HIS 20 Cb 0.07 -0.09 0.13 0.00 -0.00 0.00 0.00 29.99 30.11 1vwt n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vwt h ALA 21 N 3.37 0.63 -0.37 -1.41 0.00 -1.61 0.39 119.26 120.26 1vwt h ALA 21 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1vwt h ALA 21 Cb 0.56 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1vwt h ALA 21 CO 0.00 -0.41 0.21 0.78 0.00 0.00 0.00 179.25 179.83 1vwt h GLY 22 N 0.01 0.51 1.76 0.00 0.00 -1.86 0.83 103.07 104.32 1vwt h GLY 22 Ca 0.43 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1vwt h GLY 22 CO -0.88 0.14 -0.12 -2.09 0.00 0.00 0.00 176.54 173.59 1vwt h GLU 23 N 0.44 0.30 -0.01 4.80 4.81 -1.31 -2.09 114.58 121.52 1vwt h GLU 23 Ca 0.15 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 1vwt h GLU 23 Cb 0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1vwt h GLU 23 CO -0.07 0.43 -0.80 1.88 -0.73 0.00 0.00 179.01 179.71 1vwt h TYR 24 N 0.28 0.25 -0.44 0.92 0.05 -0.53 -2.48 116.97 115.02 1vwt h TYR 24 Ca 0.06 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 1vwt h TYR 24 Cb 0.39 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1vwt h TYR 24 CO 0.01 0.90 0.16 0.78 -1.05 0.00 0.00 178.16 178.96 1vwt h GLY 25 N 1.85 0.71 1.00 3.88 0.00 -0.20 -0.65 103.07 109.66 1vwt h GLY 25 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1vwt h GLY 25 CO 0.12 0.38 0.22 0.00 0.00 0.00 0.00 176.54 177.26 1vwt h ALA 26 N 1.01 0.79 -0.53 3.60 0.00 -1.38 -2.13 119.26 120.61 1vwt h ALA 26 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1vwt h ALA 26 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1vwt h ALA 26 CO -0.01 0.42 0.25 1.49 0.00 0.00 0.00 179.25 181.40 1vwt h GLU 27 N 0.84 0.77 -0.72 0.00 4.81 -1.20 -1.19 114.58 117.89 1vwt h GLU 27 Ca 0.20 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1vwt h GLU 27 Cb 0.23 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1vwt h GLU 27 CO -0.01 0.64 0.41 0.00 -0.73 0.00 0.00 179.01 179.32 1vwt h ALA 28 N 1.09 0.99 -0.28 2.92 0.00 -0.85 0.14 119.26 123.26 1vwt h ALA 28 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1vwt h ALA 28 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vwt h ALA 28 CO -0.02 0.08 0.05 -0.07 0.00 0.00 0.00 179.25 179.29 1vwt h LEU 29 N 0.74 0.44 -0.98 0.00 3.38 -1.02 -0.88 115.31 116.99 1vwt h LEU 29 Ca 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1vwt h LEU 29 Cb 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1vwt h LEU 29 CO -0.20 0.58 0.63 -0.08 0.09 0.00 0.00 178.44 179.45 1vwt h GLU 30 N 0.28 1.30 -0.60 1.13 4.81 -0.59 0.28 114.58 121.19 1vwt h GLU 30 Ca 0.09 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1vwt h GLU 30 Cb 0.32 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1vwt h GLU 30 CO 0.00 0.88 0.23 0.00 -0.73 0.00 0.00 179.01 179.40 1vwt h ARG 31 N 1.33 0.90 -0.14 1.92 3.08 -0.45 -2.36 114.38 118.66 1vwt h ARG 31 Ca 0.35 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1vwt h ARG 31 Cb -0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1vwt h ARG 31 CO -0.07 0.77 0.06 1.98 -1.07 0.00 0.00 179.97 181.64 1vwt h MET 32 N 0.83 0.20 -0.73 0.04 4.05 -0.22 -0.44 114.93 118.67 1vwt h MET 32 Ca 0.20 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1vwt h MET 32 Cb 0.21 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1vwt h MET 32 CO -0.02 0.28 0.46 0.74 0.23 0.00 0.00 176.91 178.60 1vwt h PHE 33 N 0.07 0.93 0.15 1.39 0.04 -0.88 0.10 116.94 118.75 1vwt h PHE 33 Ca 0.05 0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.53 1vwt h PHE 33 Cb 0.15 -0.31 0.02 0.00 2.20 0.00 0.00 35.95 38.02 1vwt h PHE 33 CO -0.02 0.61 -1.29 -0.07 -0.60 0.00 0.00 178.31 176.94 1vwt h LEU 34 N 0.99 0.73 0.16 1.54 3.38 -1.34 -3.23 115.31 117.54 1vwt h LEU 34 Ca 0.26 -0.72 -0.29 0.00 0.09 0.00 0.00 57.88 57.23 1vwt h LEU 34 Cb -0.07 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.46 1vwt h LEU 34 CO -0.05 1.54 -1.31 0.28 0.09 0.00 0.00 178.44 178.99 1vwt h SER 35 N 0.19 0.51 -2.65 -0.43 0.02 -0.90 -3.40 113.55 106.90 1vwt h SER 35 Ca -0.18 -0.56 -0.60 0.00 -0.84 0.00 0.00 61.79 59.60 1vwt h SER 35 Cb 1.97 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.94 1vwt h SER 35 CO 0.23 1.44 -0.77 0.49 -1.14 0.00 0.00 176.83 177.08 1vwt n PHE 36 N -3.57 1.41 -0.08 3.45 3.72 0.34 -4.99 117.46 117.74 1vwt n PHE 36 Ca -0.11 -3.86 0.26 0.00 -0.05 0.00 0.00 57.45 53.69 1vwt n PHE 36 Cb 1.04 -0.25 0.71 0.00 -0.94 0.00 0.00 39.48 40.04 1vwt n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1vwt h PRO 37 N 5.27 0.00 0.00 -1.08 0.13 -1.73 -1.30 132.00 133.29 1vwt h PRO 37 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1vwt h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1vwt h PRO 37 CO 0.58 0.00 -0.10 1.79 -0.23 0.00 0.00 178.00 180.04 1vwt h THR 38 N 0.00 0.40 0.00 1.56 1.35 -1.92 -1.87 112.91 112.44 1vwt h THR 38 Ca 0.34 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1vwt h THR 38 Cb 1.63 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1vwt h THR 38 CO -0.00 0.09 0.00 0.71 -0.25 0.00 0.00 175.52 176.07 1vwt h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.56 -2.28 112.91 117.23 1vwt h THR 39 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1vwt h THR 39 Cb 0.36 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1vwt h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1vwt h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.94 116.57 118.39 1vwt h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vwt h LYS 40 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1vwt h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1vwt h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.60 -1.64 112.91 110.85 1vwt h THR 41 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1vwt h THR 41 Cb 0.38 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1vwt h THR 41 CO 0.00 0.00 -0.23 -1.22 -0.25 0.00 0.00 175.52 173.82 1vwt n TYR 42 N -2.71 0.00 -2.58 4.73 4.01 -1.11 -4.34 117.16 115.17 1vwt n TYR 42 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1vwt n TYR 42 Cb 0.14 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1vwt n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1vwt n PHE 43 N -0.14 2.24 0.30 -0.72 3.01 -0.62 -4.86 117.46 116.67 1vwt n PHE 43 Ca 0.13 -2.95 0.17 0.00 1.01 0.00 0.00 57.45 55.81 1vwt n PHE 43 Cb 0.40 -0.24 0.71 0.00 -0.01 0.00 0.00 39.48 40.34 1vwt n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1vwt h PRO 44 N 2.80 0.00 -0.10 -1.08 0.13 -1.75 -2.27 132.00 129.72 1vwt h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vwt h PRO 44 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1vwt h PRO 44 CO 0.67 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1vwt n HIS 45 N -2.95 0.12 -3.98 1.56 1.44 -1.26 -4.90 115.22 105.26 1vwt n HIS 45 Ca 0.00 -0.06 -0.27 0.00 -2.01 0.00 0.00 57.72 55.38 1vwt n HIS 45 Cb 0.27 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.34 1vwt n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1vwt s PHE 46 N -1.88 3.40 -0.43 -1.40 0.40 -0.86 -5.06 117.98 112.16 1vwt s PHE 46 Ca 0.35 0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 56.59 1vwt s PHE 46 Cb 0.19 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1vwt s PHE 46 CO 0.29 0.53 0.56 0.34 0.70 0.00 0.00 175.22 177.64 1vwt s ASP 47 N -3.01 6.27 -0.04 1.36 -1.08 -1.26 -4.93 116.67 113.99 1vwt s ASP 47 Ca 0.33 -0.45 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 1vwt s ASP 47 Cb -0.11 -2.28 0.55 0.00 -1.46 0.00 0.00 42.92 39.62 1vwt s ASP 47 CO 0.27 -0.69 1.45 0.18 0.52 0.00 0.00 175.17 176.90 1vwt n LEU 48 N 5.98 3.51 -4.74 -1.34 4.77 -1.26 -4.53 117.00 119.38 1vwt n LEU 48 Ca -0.04 -1.77 -0.32 0.00 -0.03 0.00 0.00 56.01 53.86 1vwt n LEU 48 Cb 0.48 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1vwt n LEU 48 CO 0.50 0.74 0.72 -0.94 -1.33 0.00 0.00 177.39 177.08 1vwt s SER 49 N -0.92 4.23 0.25 -1.43 1.04 -1.26 -4.91 113.70 110.70 1vwt s SER 49 Ca 0.40 2.01 -0.31 0.00 0.48 0.00 0.00 55.95 58.54 1vwt s SER 49 Cb 0.23 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.70 1vwt s SER 49 CO 0.24 -2.22 1.57 -2.28 0.98 0.00 0.00 173.24 171.53 1vwt s HIS 50 N -2.61 2.90 0.00 5.02 2.46 -1.26 -1.88 115.29 119.92 1vwt s HIS 50 Ca 0.65 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.92 1vwt s HIS 50 Cb -0.21 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 1vwt s HIS 50 CO 0.52 -3.46 0.00 0.41 -2.47 0.00 0.00 174.74 169.74 1vwt n GLY 51 N 2.75 1.03 3.65 1.59 0.00 -1.26 -5.01 105.19 107.93 1vwt n GLY 51 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.61 1vwt n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vwt n SER 52 N 0.00 2.47 0.27 1.61 2.88 -0.79 -4.84 113.62 115.22 1vwt n SER 52 Ca 0.00 1.08 0.15 0.00 -1.33 0.00 0.00 58.87 58.77 1vwt n SER 52 Cb 0.00 -1.28 0.68 0.00 -0.75 0.00 0.00 64.21 62.86 1vwt n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vwt h ALA 53 N 6.14 1.04 -0.12 -1.46 0.00 -1.91 -1.41 119.26 121.54 1vwt h ALA 53 Ca -0.47 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1vwt h ALA 53 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1vwt h ALA 53 CO 0.87 0.09 -0.11 1.96 0.00 0.00 0.00 179.25 182.05 1vwt h GLN 54 N 0.00 0.28 -0.64 0.00 4.20 -1.88 0.27 115.11 117.35 1vwt h GLN 54 Ca -0.00 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 1vwt h GLN 54 Cb 0.51 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1vwt h GLN 54 CO 0.01 0.69 0.09 0.28 -0.67 0.00 0.00 178.83 179.23 1vwt h VAL 55 N -0.11 1.26 -0.19 -0.54 2.07 -1.73 -0.09 116.25 116.92 1vwt h VAL 55 Ca 0.02 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1vwt h VAL 55 Cb 0.64 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1vwt h VAL 55 CO 0.03 0.39 0.11 0.11 0.02 0.00 0.00 177.57 178.22 1vwt h LYS 56 N 0.98 0.26 -0.77 1.57 1.57 -1.15 0.39 116.57 119.41 1vwt h LYS 56 Ca 0.19 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1vwt h LYS 56 Cb 0.45 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1vwt h LYS 56 CO 0.01 0.23 0.31 0.78 -0.57 0.00 0.00 179.45 180.21 1vwt h GLY 57 N 0.21 1.24 1.53 3.86 0.00 -0.22 -2.22 103.07 107.47 1vwt h GLY 57 Ca 0.07 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1vwt h GLY 57 CO -0.01 0.64 -0.47 0.84 0.00 0.00 0.00 176.54 177.53 1vwt h HIS 58 N 1.12 0.62 -1.00 5.60 -0.00 -0.75 -2.97 115.15 117.77 1vwt h HIS 58 Ca 0.26 -0.20 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1vwt h HIS 58 Cb 0.22 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.45 1vwt h HIS 58 CO 0.02 0.88 0.65 0.78 -0.00 0.00 0.00 177.93 180.27 1vwt h GLY 59 N 1.11 1.41 1.62 5.26 0.00 0.19 -1.79 103.07 110.87 1vwt h GLY 59 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1vwt h GLY 59 CO 0.09 0.52 -0.23 1.70 0.00 0.00 0.00 176.54 178.62 1vwt h LYS 60 N 1.36 0.45 -0.38 4.80 3.64 -1.29 -1.61 116.57 123.53 1vwt h LYS 60 Ca 0.36 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 1vwt h LYS 60 Cb -0.15 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1vwt h LYS 60 CO -0.08 0.65 -0.39 0.87 -2.27 0.00 0.00 179.45 178.23 1vwt h LYS 61 N 0.40 0.92 -0.41 1.90 1.57 -1.26 -0.48 116.57 119.20 1vwt h LYS 61 Ca 0.06 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1vwt h LYS 61 Cb 0.62 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1vwt h LYS 61 CO 0.04 1.14 0.10 0.28 -0.57 0.00 0.00 179.45 180.44 1vwt h VAL 62 N 0.75 1.23 -0.60 0.50 2.07 -1.14 -2.08 116.25 116.98 1vwt h VAL 62 Ca 0.06 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1vwt h VAL 62 Cb 0.98 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1vwt h VAL 62 CO 0.10 0.28 0.22 0.00 0.02 0.00 0.00 177.57 178.18 1vwt h ALA 63 N 0.95 0.78 -0.44 1.67 0.00 -1.23 -1.80 119.26 119.19 1vwt h ALA 63 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1vwt h ALA 63 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vwt h ALA 63 CO 0.00 0.42 0.12 -0.44 0.00 0.00 0.00 179.25 179.35 1vwt h ASP 64 N 0.84 0.59 -0.46 0.00 3.32 -0.94 0.33 116.42 120.10 1vwt h ASP 64 Ca 0.20 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 1vwt h ASP 64 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1vwt h ASP 64 CO -0.01 0.58 -0.22 0.00 -1.72 0.00 0.00 179.24 177.87 1vwt h ALA 65 N 1.50 0.65 -0.42 3.45 0.00 -0.95 -1.23 119.26 122.26 1vwt h ALA 65 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1vwt h ALA 65 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1vwt h ALA 65 CO -0.01 0.64 -0.05 -0.07 0.00 0.00 0.00 179.25 179.76 1vwt h LEU 66 N 0.81 0.70 -0.61 0.00 -0.00 -0.77 0.10 115.31 115.53 1vwt h LEU 66 Ca 0.10 -0.18 -0.08 0.00 -0.00 0.00 0.00 57.88 57.73 1vwt h LEU 66 Cb 0.79 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1vwt h LEU 66 CO 0.07 0.80 0.09 0.74 -0.00 0.00 0.00 178.44 180.13 1vwt h THR 67 N 0.67 1.26 -0.58 0.22 2.02 -0.67 -1.10 112.91 114.73 1vwt h THR 67 Ca 0.12 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1vwt h THR 67 Cb 0.49 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1vwt h THR 67 CO 0.03 0.38 0.08 -1.13 0.37 0.00 0.00 175.52 175.25 1vwt h ASN 68 N 0.92 0.89 -0.48 4.18 -1.24 -0.72 -2.05 115.58 117.09 1vwt h ASN 68 Ca 0.18 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 1vwt h ASN 68 Cb 0.45 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1vwt h ASN 68 CO 0.01 0.90 0.01 0.00 -1.29 0.00 0.00 177.43 177.07 1vwt h ALA 69 N 1.20 1.01 -0.42 1.57 0.00 -0.57 -2.23 119.26 119.83 1vwt h ALA 69 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1vwt h ALA 69 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vwt h ALA 69 CO 0.01 0.61 -0.14 0.28 0.00 0.00 0.00 179.25 180.02 1vwt h VAL 70 N 0.83 1.28 0.00 0.00 2.07 -0.91 -0.93 116.25 118.59 1vwt h VAL 70 Ca 0.16 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1vwt h VAL 70 Cb 0.48 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1vwt h VAL 70 CO 0.02 0.42 -0.12 0.00 0.02 0.00 0.00 177.57 177.92 1vwt h ALA 71 N 0.84 1.31 -0.80 1.67 0.00 -1.18 -2.83 119.26 118.27 1vwt h ALA 71 Ca 0.10 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1vwt h ALA 71 Cb 0.68 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.03 1vwt h ALA 71 CO 0.05 0.15 -0.86 0.72 0.00 0.00 0.00 179.25 179.30 1vwt n HIS 72 N -3.68 2.58 0.24 0.00 8.25 -0.86 -4.86 115.22 116.90 1vwt n HIS 72 Ca -0.02 -2.33 0.18 0.00 -0.26 0.00 0.00 57.72 55.29 1vwt n HIS 72 Cb 0.23 -0.29 0.84 0.00 1.12 0.00 0.00 29.99 31.89 1vwt n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1vwt h VAL 73 N 2.73 0.21 -0.63 1.59 3.04 -0.91 0.75 116.25 123.03 1vwt h VAL 73 Ca 0.28 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.82 1vwt h VAL 73 Cb 1.42 0.73 -0.09 0.00 -2.01 0.00 0.00 31.29 31.34 1vwt h VAL 73 CO 0.68 0.00 0.17 0.47 -1.01 0.00 0.00 177.57 177.88 1vwt n ASP 74 N -3.35 4.78 -2.04 3.17 8.00 -1.26 -4.34 116.55 121.51 1vwt n ASP 74 Ca 0.01 -3.18 -0.02 0.00 0.71 0.00 0.00 54.79 52.32 1vwt n ASP 74 Cb 0.41 -0.71 0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1vwt n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1vwt n ASP 75 N -0.11 -0.91 -0.26 -2.24 2.03 0.20 -5.02 116.55 110.25 1vwt n ASP 75 Ca 0.36 -1.72 -0.05 0.00 0.52 0.00 0.00 54.79 53.90 1vwt n ASP 75 Cb 1.28 0.41 0.05 0.00 -0.72 0.00 0.00 41.12 42.14 1vwt n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1vwt h MET 76 N 0.55 0.96 -0.64 -0.67 2.86 -1.61 -2.39 114.93 113.99 1vwt h MET 76 Ca -0.30 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.37 1vwt h MET 76 Cb 1.18 -0.20 -0.08 0.00 0.06 0.00 0.00 31.60 32.55 1vwt h MET 76 CO -0.13 0.67 0.21 -1.35 1.06 0.00 0.00 176.91 177.37 1vwt h PRO 77 N 0.96 0.35 -0.12 -0.22 0.11 -1.95 0.18 132.00 131.32 1vwt h PRO 77 Ca 0.26 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 1vwt h PRO 77 Cb -0.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1vwt h PRO 77 CO -0.05 0.23 -0.44 -0.97 -0.21 0.00 0.00 178.00 176.57 1vwt h ASN 78 N 0.36 0.60 0.08 -2.05 -1.24 -1.95 -2.30 115.58 109.08 1vwt h ASN 78 Ca 0.34 -0.61 -0.03 0.00 0.71 0.00 0.00 56.30 56.71 1vwt h ASN 78 Cb 0.48 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1vwt h ASN 78 CO -0.37 1.11 -0.10 0.00 -1.29 0.00 0.00 177.43 176.78 1vwt h ALA 79 N 0.50 1.75 -0.50 1.57 0.00 -0.99 -2.49 119.26 119.10 1vwt h ALA 79 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1vwt h ALA 79 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1vwt h ALA 79 CO 0.09 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1vwt n LEU 80 N -4.38 4.09 -0.06 0.00 4.77 0.61 -4.70 117.00 117.33 1vwt n LEU 80 Ca -0.02 -2.42 -0.09 0.00 -0.03 0.00 0.00 56.01 53.45 1vwt n LEU 80 Cb 0.20 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1vwt n LEU 80 CO 0.36 0.77 0.67 -1.28 -1.33 0.00 0.00 177.39 176.58 1vwt h SER 81 N 3.12 -0.92 -0.30 -1.43 0.87 -0.93 -0.24 113.55 113.72 1vwt h SER 81 Ca 0.00 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1vwt h SER 81 Cb 1.25 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 63.61 1vwt h SER 81 CO 0.16 -0.31 0.08 0.00 -0.53 0.00 0.00 176.83 176.23 1vwt h ALA 82 N 0.70 1.43 -0.08 6.23 0.00 -1.84 -1.92 119.26 123.78 1vwt h ALA 82 Ca 0.14 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1vwt h ALA 82 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1vwt h ALA 82 CO -0.43 0.42 -0.52 -0.07 0.00 0.00 0.00 179.25 178.65 1vwt h LEU 83 N 0.55 0.24 -0.32 0.00 4.07 -1.72 -2.04 115.31 116.09 1vwt h LEU 83 Ca 0.13 -0.12 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1vwt h LEU 83 Cb 0.23 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1vwt h LEU 83 CO -0.00 0.72 -0.28 0.28 -1.08 0.00 0.00 178.44 178.08 1vwt h SER 84 N 0.17 0.81 -0.38 -0.43 0.02 -0.45 -2.07 113.55 111.22 1vwt h SER 84 Ca 0.00 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1vwt h SER 84 Cb 0.98 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1vwt h SER 84 CO 0.08 1.10 0.19 0.44 -1.14 0.00 0.00 176.83 177.50 1vwt h ASP 85 N 0.53 0.49 -0.05 3.07 3.32 -1.25 -1.52 116.42 121.02 1vwt h ASP 85 Ca 0.06 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1vwt h ASP 85 Cb 0.85 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1vwt h ASP 85 CO 0.07 0.47 0.01 0.25 -1.72 0.00 0.00 179.24 178.32 1vwt h LEU 86 N 0.48 0.01 -0.70 1.55 5.85 -1.33 0.70 115.31 121.87 1vwt h LEU 86 Ca 0.13 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1vwt h LEU 86 Cb 0.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1vwt h LEU 86 CO -0.02 0.01 -0.45 0.45 -0.34 0.00 0.00 178.44 178.10 1vwt h HIS 87 N 0.03 0.55 -0.04 1.25 3.86 -1.33 -1.33 115.15 118.15 1vwt h HIS 87 Ca 0.02 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 1vwt h HIS 87 Cb 0.01 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1vwt h HIS 87 CO -0.09 0.83 -0.13 0.00 0.86 0.00 0.00 177.93 179.40 1vwt h ALA 88 N 1.15 0.07 0.00 2.45 0.00 -1.11 0.29 119.26 122.11 1vwt h ALA 88 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1vwt h ALA 88 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1vwt h ALA 88 CO 0.08 -0.03 -1.57 0.72 0.00 0.00 0.00 179.25 178.45 1vwt n HIS 89 N -4.64 0.00 -0.01 0.00 8.25 0.22 -4.34 115.22 114.71 1vwt n HIS 89 Ca -0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1vwt n HIS 89 Cb 0.38 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1vwt n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vwt n LYS 90 N -1.94 0.09 -0.16 -0.41 4.01 -0.60 -4.81 118.16 114.33 1vwt n LYS 90 Ca -0.01 0.04 -0.10 0.00 -0.51 0.00 0.00 58.31 57.72 1vwt n LYS 90 Cb 0.45 -0.49 -0.00 0.00 -0.51 0.00 0.00 35.03 34.48 1vwt n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1vwt h LEU 91 N -0.17 0.82 -2.39 -0.35 3.38 -1.43 -3.48 115.31 111.70 1vwt h LEU 91 Ca 0.00 -0.33 -0.38 0.00 0.09 0.00 0.00 57.88 57.27 1vwt h LEU 91 Cb 0.17 -0.22 0.11 0.00 0.09 0.00 0.00 40.66 40.80 1vwt h LEU 91 CO 0.00 0.95 -0.87 0.54 0.09 0.00 0.00 178.44 179.15 1vwt n ARG 92 N -4.33 -3.15 -2.77 1.13 1.74 0.10 -4.95 116.66 104.44 1vwt n ARG 92 Ca 0.00 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1vwt n ARG 92 Cb 0.33 -5.03 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 1vwt n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vwt s VAL 93 N -3.53 4.81 0.19 1.55 1.01 -1.23 -4.99 120.40 118.22 1vwt s VAL 93 Ca 0.26 1.88 -0.33 0.00 0.00 0.00 0.00 61.98 63.79 1vwt s VAL 93 Cb -0.07 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.93 1vwt s VAL 93 CO 0.81 -0.01 1.40 -0.67 0.00 0.00 0.00 175.10 176.63 1vwt n ASP 94 N 5.25 2.47 -0.13 3.32 -0.08 -1.26 -4.83 116.55 121.29 1vwt n ASP 94 Ca 0.07 1.12 0.23 0.00 -1.51 0.00 0.00 54.79 54.71 1vwt n ASP 94 Cb 0.48 -1.36 0.66 0.00 2.34 0.00 0.00 41.12 43.24 1vwt n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vwt h PRO 95 N 4.57 0.10 -0.75 -0.67 0.11 -1.99 -2.32 132.00 131.05 1vwt h PRO 95 Ca -0.45 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.82 1vwt h PRO 95 Cb 1.29 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1vwt h PRO 95 CO 0.78 0.07 0.51 2.35 -0.21 0.00 0.00 178.00 181.50 1vwt h TRP 96 N 0.10 0.37 0.00 0.65 2.91 -2.03 -1.80 115.95 116.15 1vwt h TRP 96 Ca 0.37 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.36 1vwt h TRP 96 Cb 1.32 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.85 1vwt h TRP 96 CO -0.00 0.13 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.43 1vwt h ASN 97 N 0.30 0.00 0.24 2.65 4.21 -1.77 -2.75 115.58 118.47 1vwt h ASN 97 Ca 0.37 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.82 1vwt h ASN 97 Cb 1.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 1vwt h ASN 97 CO -0.10 0.20 -0.26 -0.26 -1.29 0.00 0.00 177.43 175.72 1vwt h PHE 98 N 0.00 0.03 -0.23 1.19 -1.00 -1.51 -1.89 116.94 113.53 1vwt h PHE 98 Ca -0.00 -0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1vwt h PHE 98 Cb 0.50 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1vwt h PHE 98 CO 0.00 0.29 -0.39 0.87 -1.61 0.00 0.00 178.31 177.47 1vwt h LYS 99 N 0.03 0.53 -0.42 1.51 1.57 -1.63 -1.48 116.57 116.68 1vwt h LYS 99 Ca 0.00 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1vwt h LYS 99 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1vwt h LYS 99 CO 0.03 0.83 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.52 1vwt h LEU 100 N 0.44 0.86 -0.49 2.94 3.38 -1.43 -1.97 115.31 119.04 1vwt h LEU 100 Ca 0.04 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 1vwt h LEU 100 Cb 0.87 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1vwt h LEU 100 CO 0.07 1.05 -0.53 0.25 0.09 0.00 0.00 178.44 179.37 1vwt h LEU 101 N 0.66 0.68 -0.44 1.67 5.85 -1.31 -2.40 115.31 120.02 1vwt h LEU 101 Ca 0.10 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1vwt h LEU 101 Cb 0.71 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1vwt h LEU 101 CO 0.05 1.08 0.28 0.28 -0.34 0.00 0.00 178.44 179.79 1vwt h SER 102 N 0.48 0.52 -0.72 1.25 0.02 -1.20 0.19 113.55 114.08 1vwt h SER 102 Ca 0.01 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1vwt h SER 102 Cb 1.09 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1vwt h SER 102 CO 0.10 0.41 0.45 -0.74 -1.14 0.00 0.00 176.83 175.91 1vwt h HIS 103 N 0.59 0.94 0.00 3.45 -0.00 -1.28 -1.41 115.15 117.44 1vwt h HIS 103 Ca 0.16 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.46 1vwt h HIS 103 Cb -0.02 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 1vwt h HIS 103 CO -0.04 0.62 -0.38 0.00 -0.00 0.00 0.00 177.93 178.14 1vwt h LEU 105 N 0.00 0.81 -0.45 0.00 3.38 -0.45 -1.93 115.31 116.68 1vwt h LEU 105 Ca -0.00 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1vwt h LEU 105 Cb 0.74 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1vwt h LEU 105 CO 0.05 1.17 0.25 -0.07 0.09 0.00 0.00 178.44 179.93 1vwt h LEU 106 N 0.47 0.56 -0.74 1.67 3.38 -0.93 -0.52 115.31 119.19 1vwt h LEU 106 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1vwt h LEU 106 Cb 1.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1vwt h LEU 106 CO 0.09 0.48 0.43 0.58 0.09 0.00 0.00 178.44 180.11 1vwt h VAL 107 N 0.59 1.22 -0.66 1.22 2.07 -1.25 0.13 116.25 119.56 1vwt h VAL 107 Ca 0.16 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1vwt h VAL 107 Cb 0.05 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1vwt h VAL 107 CO -0.03 0.23 0.21 0.74 0.02 0.00 0.00 177.57 178.74 1vwt h THR 108 N 1.01 1.25 -0.61 2.57 2.02 -0.99 -1.61 112.91 116.55 1vwt h THR 108 Ca 0.26 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1vwt h THR 108 Cb -0.00 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1vwt h THR 108 CO -0.05 0.33 0.01 -0.07 0.37 0.00 0.00 175.52 176.11 1vwt h LEU 109 N 0.96 1.05 -0.94 2.58 4.07 -0.72 -2.76 115.31 119.55 1vwt h LEU 109 Ca 0.21 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 1vwt h LEU 109 Cb 0.30 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1vwt h LEU 109 CO -0.01 1.09 0.45 0.00 -1.08 0.00 0.00 178.44 178.89 1vwt h ALA 110 N 0.99 1.18 0.00 1.53 0.00 -0.64 0.28 119.26 122.59 1vwt h ALA 110 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vwt h ALA 110 Cb 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vwt h ALA 110 CO 0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1vwt h ALA 111 N 1.29 1.00 0.00 0.00 0.00 -1.08 -3.27 119.26 117.20 1vwt h ALA 111 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1vwt h ALA 111 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vwt h ALA 111 CO -0.04 0.00 -0.74 0.72 0.00 0.00 0.00 179.25 179.19 1vwt n HIS 112 N -2.43 0.00 -3.28 0.00 -0.00 -0.93 -4.79 115.22 103.79 1vwt n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 1vwt n HIS 112 Cb 0.31 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.16 1vwt n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1vwt n LEU 113 N -1.40 3.27 -0.05 2.41 4.77 0.04 -4.94 117.00 121.10 1vwt n LEU 113 Ca 0.00 -5.37 -0.08 0.00 -0.03 0.00 0.00 56.01 50.54 1vwt n LEU 113 Cb 0.14 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1vwt n LEU 113 CO 0.15 2.13 0.74 1.55 -1.33 0.00 0.00 177.39 180.63 1vwt h PRO 114 N 3.85 -0.18 -0.63 3.23 0.13 -1.84 -1.26 132.00 135.30 1vwt h PRO 114 Ca 0.16 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1vwt h PRO 114 Cb 0.67 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1vwt h PRO 114 CO 0.77 -0.12 0.06 0.00 -0.23 0.00 0.00 178.00 178.48 1vwt h ALA 115 N 0.94 0.84 0.00 -0.56 0.00 -1.94 -3.28 119.26 115.26 1vwt h ALA 115 Ca 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1vwt h ALA 115 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vwt h ALA 115 CO -0.34 0.64 -0.68 0.93 0.00 0.00 0.00 179.25 179.80 1vwt h GLU 116 N 0.98 0.00 -3.07 0.00 3.07 -1.92 -3.39 114.58 110.25 1vwt h GLU 116 Ca 0.19 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.51 1vwt h GLU 116 Cb 0.49 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1vwt h GLU 116 CO 0.02 0.38 3.11 0.34 -1.40 0.00 0.00 179.01 181.46 1vwt n PHE 117 N -3.11 1.87 -1.62 4.33 7.35 -0.49 -4.73 117.46 121.06 1vwt n PHE 117 Ca -0.00 -2.58 -0.30 0.00 -0.76 0.00 0.00 57.45 53.81 1vwt n PHE 117 Cb 0.73 -2.14 0.09 0.00 0.35 0.00 0.00 39.48 38.51 1vwt n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1vwt s THR 118 N 2.50 2.96 0.33 -2.13 -4.23 -1.26 -4.75 115.64 109.05 1vwt s THR 118 Ca 0.59 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1vwt s THR 118 Cb 0.16 -3.11 0.30 0.00 1.34 0.00 0.00 72.50 71.20 1vwt s THR 118 CO -0.05 -0.41 1.90 -0.65 -0.54 0.00 0.00 174.62 174.87 1vwt h PRO 119 N -1.07 0.80 -0.45 3.99 0.11 -1.99 0.20 132.00 133.60 1vwt h PRO 119 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1vwt h PRO 119 Cb 1.28 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1vwt h PRO 119 CO 0.61 0.53 -0.14 0.00 -0.21 0.00 0.00 178.00 178.79 1vwt h ALA 120 N 1.57 0.62 -0.39 -0.75 0.00 -1.96 -1.77 119.26 116.58 1vwt h ALA 120 Ca 0.41 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1vwt h ALA 120 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vwt h ALA 120 CO -0.17 0.54 -0.27 0.28 0.00 0.00 0.00 179.25 179.63 1vwt h VAL 121 N 0.72 1.27 -0.31 0.00 2.07 -1.72 -1.84 116.25 116.44 1vwt h VAL 121 Ca 0.11 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1vwt h VAL 121 Cb 0.69 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1vwt h VAL 121 CO 0.05 0.47 0.14 -0.74 0.02 0.00 0.00 177.57 177.51 1vwt h HIS 122 N 0.71 0.26 -0.43 1.57 6.17 -0.84 -0.28 115.15 122.30 1vwt h HIS 122 Ca 0.09 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 1vwt h HIS 122 Cb 0.81 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 1vwt h HIS 122 CO 0.04 0.13 0.20 0.00 0.71 0.00 0.00 177.93 179.02 1vwt h ALA 123 N 1.17 0.56 -0.70 5.26 0.00 -1.13 -2.08 119.26 122.35 1vwt h ALA 123 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1vwt h ALA 123 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1vwt h ALA 123 CO -0.11 0.13 0.25 0.77 0.00 0.00 0.00 179.25 180.29 1vwt h SER 124 N 0.56 0.97 -0.34 0.00 0.02 -0.91 -2.15 113.55 111.70 1vwt h SER 124 Ca 0.15 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1vwt h SER 124 Cb 0.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1vwt h SER 124 CO -0.02 0.88 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.22 1vwt h LEU 125 N 1.02 0.88 -0.81 5.07 3.38 -0.89 -0.92 115.31 123.04 1vwt h LEU 125 Ca 0.23 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1vwt h LEU 125 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1vwt h LEU 125 CO -0.01 1.09 0.15 -0.78 0.09 0.00 0.00 178.44 178.97 1vwt h ASP 126 N 0.72 0.99 -0.51 -0.43 3.58 -1.14 0.72 116.42 120.35 1vwt h ASP 126 Ca 0.09 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 1vwt h ASP 126 Cb 0.81 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1vwt h ASP 126 CO 0.07 0.96 -0.00 0.11 -2.88 0.00 0.00 179.24 177.50 1vwt h LYS 127 N 0.99 0.90 -0.12 0.28 1.57 -1.19 -1.67 116.57 117.33 1vwt h LYS 127 Ca 0.21 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1vwt h LYS 127 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vwt h LYS 127 CO 0.00 0.93 0.06 0.35 -0.57 0.00 0.00 179.45 180.22 1vwt h PHE 128 N 0.77 0.17 -0.13 -1.35 3.57 -0.64 -1.04 116.94 118.29 1vwt h PHE 128 Ca 0.14 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1vwt h PHE 128 Cb 0.52 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1vwt h PHE 128 CO 0.04 0.22 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.07 1vwt h LEU 129 N 0.07 0.21 -0.64 0.59 3.38 -0.82 -1.05 115.31 117.05 1vwt h LEU 129 Ca 0.04 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1vwt h LEU 129 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vwt h LEU 129 CO -0.01 0.43 -0.44 0.00 0.09 0.00 0.00 178.44 178.51 1vwt h ALA 130 N 1.60 0.82 -0.32 1.53 0.00 -1.07 -1.24 119.26 120.57 1vwt h ALA 130 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1vwt h ALA 130 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vwt h ALA 130 CO 0.03 0.66 -0.25 0.77 0.00 0.00 0.00 179.25 180.46 1vwt h SER 131 N 0.45 0.78 -0.44 0.00 0.02 -0.57 -1.10 113.55 112.69 1vwt h SER 131 Ca 0.03 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1vwt h SER 131 Cb 0.95 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1vwt h SER 131 CO 0.08 1.06 0.26 0.58 -1.14 0.00 0.00 176.83 177.68 1vwt h VAL 132 N 0.50 1.14 -0.86 2.27 2.07 -1.13 -1.08 116.25 119.16 1vwt h VAL 132 Ca 0.06 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1vwt h VAL 132 Cb 0.81 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1vwt h VAL 132 CO 0.07 0.14 0.53 0.28 0.02 0.00 0.00 177.57 178.61 1vwt h SER 133 N 0.58 1.02 -0.43 0.57 0.02 -1.11 -0.23 113.55 113.96 1vwt h SER 133 Ca 0.16 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1vwt h SER 133 Cb -0.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1vwt h SER 133 CO -0.03 0.77 0.02 0.74 -1.14 0.00 0.00 176.83 177.19 1vwt h THR 134 N 1.18 1.26 -0.40 -2.27 2.02 -0.73 -2.41 112.91 111.55 1vwt h THR 134 Ca 0.31 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1vwt h THR 134 Cb -0.07 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1vwt h THR 134 CO -0.06 0.34 0.12 0.58 0.37 0.00 0.00 175.52 176.87 1vwt h VAL 135 N 0.60 1.22 0.00 3.16 2.07 -0.76 -2.19 116.25 120.34 1vwt h VAL 135 Ca 0.13 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1vwt h VAL 135 Cb 0.46 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1vwt h VAL 135 CO 0.02 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.79 1vwt h LEU 136 N 0.50 0.00 -2.64 2.57 3.38 -0.91 -2.68 115.31 115.53 1vwt h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vwt h LEU 136 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1vwt h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1vwt n THR 137 N -2.61 0.82 0.26 0.22 -2.24 -0.92 -4.59 114.28 105.23 1vwt n THR 137 Ca -0.00 -0.91 0.14 0.00 -2.27 0.00 0.00 64.05 61.00 1vwt n THR 137 Cb 0.17 0.61 0.69 0.00 -2.10 0.00 0.00 70.33 69.70 1vwt n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1vwt h SER 138 N 0.98 0.00 -0.66 3.42 4.64 -1.04 -3.02 113.55 117.87 1vwt h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vwt h SER 138 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1vwt h SER 138 CO 0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1vwt n LYS 139 N -3.43 3.10 0.07 4.77 4.76 -1.26 -4.60 118.16 121.56 1vwt n LYS 139 Ca -0.01 -2.69 0.04 0.00 -2.87 0.00 0.00 58.31 52.78 1vwt n LYS 139 Cb 0.29 -1.66 0.45 0.00 -1.84 0.00 0.00 35.03 32.27 1vwt n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1vwt h TYR 140 N 3.96 0.38 0.00 2.13 -1.99 -1.86 -3.46 116.97 116.13 1vwt h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1vwt h TYR 140 Cb 1.13 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.74 1vwt h TYR 140 CO 0.56 0.29 0.00 2.89 -0.00 0.00 0.00 178.16 181.90