#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hap s ARG 7 N 0.00 4.41 0.58 1.61 0.52 -1.26 -4.92 118.95 119.89 3hap s ARG 7 Ca 0.00 1.99 0.27 0.00 -0.52 0.00 0.00 55.73 57.47 3hap s ARG 7 Cb 0.00 -3.22 1.68 0.00 0.52 0.00 0.00 34.95 33.93 3hap s ARG 7 CO 0.00 -0.23 2.19 -1.00 0.02 0.00 0.00 175.30 176.27 3hap h PRO 8 N 5.62 0.00 0.00 3.54 0.13 -2.01 -0.13 132.00 139.15 3hap h PRO 8 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hap h PRO 8 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hap h PRO 8 CO 0.78 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 3hap n GLU 9 N -3.95 0.18 -0.12 0.86 0.00 -1.26 -3.83 120.64 112.52 3hap n GLU 9 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.40 3hap n GLU 9 Cb 0.17 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.61 3hap n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 3hap h TRP 10 N 0.00 0.46 -0.60 -1.84 5.08 -1.39 -1.50 115.95 116.17 3hap h TRP 10 Ca 0.00 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.96 3hap h TRP 10 Cb 0.24 -0.15 -0.03 0.00 -3.00 0.00 0.00 29.16 26.23 3hap h TRP 10 CO 0.00 0.21 0.28 0.97 -1.28 0.00 0.00 178.44 178.62 3hap h ILE 11 N 0.42 1.20 0.01 0.12 6.09 -1.81 0.12 117.51 123.66 3hap h ILE 11 Ca 0.31 -0.57 -0.20 0.00 -1.37 0.00 0.00 64.86 63.03 3hap h ILE 11 Cb 0.64 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.35 3hap h ILE 11 CO -0.09 0.23 -0.95 -0.50 -3.07 0.00 0.00 178.15 173.77 3hap h TRP 12 N 0.84 0.06 -0.61 2.19 -0.00 -1.57 -1.17 115.95 115.70 3hap h TRP 12 Ca 0.21 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 58.99 3hap h TRP 12 Cb 0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 3hap h TRP 12 CO 0.01 0.96 0.13 -0.07 -0.00 0.00 0.00 178.44 179.47 3hap h LEU 13 N 0.01 0.94 -0.21 -4.49 3.38 -1.06 0.28 115.31 114.16 3hap h LEU 13 Ca -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3hap h LEU 13 Cb 1.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3hap h LEU 13 CO 0.13 0.94 0.07 0.00 0.09 0.00 0.00 178.44 179.67 3hap h ALA 14 N 1.03 0.27 -0.57 1.53 0.00 -0.66 -0.45 119.26 120.41 3hap h ALA 14 Ca 0.19 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hap h ALA 14 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hap h ALA 14 CO 0.01 -0.12 0.04 -0.07 0.00 0.00 0.00 179.25 179.11 3hap h LEU 15 N 0.17 0.93 -0.47 0.00 3.38 -1.16 -1.56 115.31 116.61 3hap h LEU 15 Ca 0.07 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hap h LEU 15 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hap h LEU 15 CO -0.00 0.96 0.31 1.23 0.09 0.00 0.00 178.44 181.03 3hap h GLY 16 N 1.01 0.66 0.70 0.83 0.00 -0.82 -0.65 103.07 104.81 3hap h GLY 16 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3hap h GLY 16 CO 0.02 0.23 0.18 -0.91 0.00 0.00 0.00 176.54 176.06 3hap h THR 17 N 0.63 0.92 -0.13 4.70 1.35 -0.75 -0.21 112.91 119.42 3hap h THR 17 Ca 0.17 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3hap h THR 17 Cb -0.07 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3hap h THR 17 CO -0.04 0.07 0.08 0.00 -0.25 0.00 0.00 175.52 175.37 3hap h ALA 18 N 1.25 0.16 -0.41 6.62 0.00 -0.94 -0.29 119.26 125.64 3hap h ALA 18 Ca 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3hap h ALA 18 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hap h ALA 18 CO -0.16 -0.34 -0.33 -0.07 0.00 0.00 0.00 179.25 178.35 3hap h LEU 19 N 0.15 1.00 -0.54 0.00 3.38 -0.87 -0.48 115.31 117.95 3hap h LEU 19 Ca 0.05 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3hap h LEU 19 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3hap h LEU 19 CO -0.01 1.23 -0.06 0.24 0.09 0.00 0.00 178.44 179.93 3hap h MET 20 N 0.79 0.98 -0.11 1.13 2.86 -1.03 -1.24 114.93 118.31 3hap h MET 20 Ca 0.08 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3hap h MET 20 Cb 0.92 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 3hap h MET 20 CO 0.09 1.02 0.05 0.78 1.06 0.00 0.00 176.91 179.90 3hap h GLY 21 N 0.86 0.18 1.01 8.32 0.00 -0.87 -0.66 103.07 111.91 3hap h GLY 21 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 3hap h GLY 21 CO 0.04 0.09 0.21 1.41 0.00 0.00 0.00 176.54 178.29 3hap h LEU 22 N 0.04 0.88 -0.34 3.11 3.38 -1.10 -1.36 115.31 119.92 3hap h LEU 22 Ca 0.04 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hap h LEU 22 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hap h LEU 22 CO -0.00 0.84 0.17 1.23 0.09 0.00 0.00 178.44 180.77 3hap h GLY 23 N 0.87 0.46 0.82 0.83 0.00 -1.15 -1.38 103.07 103.52 3hap h GLY 23 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3hap h GLY 23 CO -0.01 0.10 0.05 -0.84 0.00 0.00 0.00 176.54 175.84 3hap h THR 24 N 0.36 0.93 -0.43 4.70 2.02 -0.84 -1.10 112.91 118.55 3hap h THR 24 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3hap h THR 24 Cb 0.05 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3hap h THR 24 CO -0.10 0.03 0.28 0.25 0.37 0.00 0.00 175.52 176.35 3hap h LEU 25 N 0.14 0.48 -0.45 2.58 6.46 -1.05 -0.19 115.31 123.29 3hap h LEU 25 Ca 0.09 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3hap h LEU 25 Cb 0.07 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3hap h LEU 25 CO -0.10 0.35 0.13 0.22 -0.62 0.00 0.00 178.44 178.42 3hap h TYR 26 N 0.57 0.73 -0.60 1.25 3.20 -1.03 -1.18 116.97 119.92 3hap h TYR 26 Ca 0.16 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3hap h TYR 26 Cb -0.06 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hap h TYR 26 CO -0.05 0.67 0.09 0.74 -1.64 0.00 0.00 178.16 177.97 3hap h PHE 27 N 0.59 1.03 -0.17 -3.82 0.04 -0.97 -1.47 116.94 112.16 3hap h PHE 27 Ca 0.14 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hap h PHE 27 Cb 0.29 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3hap h PHE 27 CO 0.02 0.87 0.10 1.25 -0.60 0.00 0.00 178.31 179.95 3hap h LEU 28 N 0.92 0.21 -0.11 1.54 6.46 -0.82 0.12 115.31 123.63 3hap h LEU 28 Ca 0.19 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3hap h LEU 28 Cb 0.41 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3hap h LEU 28 CO 0.01 0.22 0.07 0.58 -0.62 0.00 0.00 178.44 178.70 3hap h VAL 29 N 0.19 1.06 -0.62 1.05 2.07 -0.98 -0.21 116.25 118.81 3hap h VAL 29 Ca 0.06 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hap h VAL 29 Cb 0.05 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hap h VAL 29 CO -0.01 0.06 0.28 0.11 0.02 0.00 0.00 177.57 178.03 3hap h LYS 30 N 0.11 0.91 -0.53 1.57 1.79 -1.22 -2.97 116.57 116.22 3hap h LYS 30 Ca 0.04 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 3hap h LYS 30 Cb 0.04 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3hap h LYS 30 CO -0.01 0.74 -0.11 0.78 -1.08 0.00 0.00 179.45 179.77 3hap h GLY 31 N 0.86 1.09 2.00 3.86 0.00 -0.52 -2.61 103.07 107.75 3hap h GLY 31 Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3hap h GLY 31 CO -0.02 0.81 0.00 -0.33 0.00 0.00 0.00 176.54 176.99 3hap h MET 32 N 0.90 0.00 0.01 4.80 2.86 -1.01 -2.88 114.93 119.61 3hap h MET 32 Ca 0.14 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.59 3hap h MET 32 Cb 0.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3hap h MET 32 CO 0.05 0.00 -0.87 0.78 1.06 0.00 0.00 176.91 177.92 3hap h GLY 33 N 2.11 0.10 -2.90 8.32 0.00 -1.30 -3.47 103.07 105.93 3hap h GLY 33 Ca 0.00 -0.19 -0.49 0.00 0.00 0.00 0.00 47.33 46.65 3hap h GLY 33 CO 0.00 0.16 0.43 0.14 0.00 0.00 0.00 176.54 177.28 3hap s VAL 34 N -3.11 3.57 -0.09 4.60 1.01 -1.09 -4.99 120.40 120.31 3hap s VAL 34 Ca -0.01 1.25 0.13 0.00 0.00 0.00 0.00 61.98 63.34 3hap s VAL 34 Cb 0.11 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.64 3hap s VAL 34 CO 0.81 0.05 0.14 -1.20 0.00 0.00 0.00 175.10 174.90 3hap n SER 35 N 0.02 1.78 -4.68 3.32 7.64 -1.26 -4.92 113.62 115.53 3hap n SER 35 Ca 0.05 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.49 3hap n SER 35 Cb 0.49 1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 64.78 3hap n SER 35 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hap n ASP 36 N -2.30 3.93 -0.22 6.43 2.03 -1.26 -4.90 116.55 120.25 3hap n ASP 36 Ca -0.14 0.96 -0.01 0.00 0.52 0.00 0.00 54.79 56.11 3hap n ASP 36 Cb 0.72 -1.50 0.10 0.00 -0.72 0.00 0.00 41.12 39.72 3hap n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hap h PRO 37 N 9.36 0.60 -0.23 -0.67 0.11 -1.97 -0.88 132.00 138.33 3hap h PRO 37 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hap h PRO 37 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hap h PRO 37 CO 0.94 0.40 0.12 -0.44 -0.21 0.00 0.00 178.00 178.81 3hap h ASP 38 N 0.62 0.29 -0.42 -2.05 5.19 -1.91 -2.70 116.42 115.44 3hap h ASP 38 Ca 0.30 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 3hap h ASP 38 Cb 0.23 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3hap h ASP 38 CO -0.21 0.30 0.18 0.00 -3.12 0.00 0.00 179.24 176.39 3hap h ALA 39 N 1.00 1.44 -0.73 3.45 0.00 -1.09 -2.37 119.26 120.96 3hap h ALA 39 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hap h ALA 39 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hap h ALA 39 CO -0.01 0.43 0.39 0.87 0.00 0.00 0.00 179.25 180.93 3hap h LYS 40 N 0.67 1.02 -0.18 0.00 1.57 -0.88 -0.75 116.57 118.02 3hap h LYS 40 Ca 0.16 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hap h LYS 40 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hap h LYS 40 CO -0.01 0.76 0.11 0.87 -0.57 0.00 0.00 179.45 180.60 3hap h LYS 41 N 1.03 0.23 -0.79 3.15 1.57 -1.12 1.00 116.57 121.64 3hap h LYS 41 Ca 0.26 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3hap h LYS 41 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3hap h LYS 41 CO -0.04 0.17 0.31 0.74 -0.57 0.00 0.00 179.45 180.06 3hap h PHE 42 N 0.23 1.20 -0.60 -1.35 0.04 -1.33 -1.83 116.94 113.31 3hap h PHE 42 Ca 0.06 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3hap h PHE 42 Cb -0.01 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.76 3hap h PHE 42 CO -0.06 0.91 0.19 1.88 -0.60 0.00 0.00 178.31 180.63 3hap h TYR 43 N 1.15 0.97 -0.00 -0.55 0.05 -0.80 -0.85 116.97 116.94 3hap h TYR 43 Ca 0.26 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hap h TYR 43 Cb 0.23 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 3hap h TYR 43 CO 0.02 0.80 0.00 0.00 -1.05 0.00 0.00 178.16 177.93 3hap h ALA 44 N 1.06 0.00 -0.36 3.88 0.00 -0.45 0.31 119.26 123.70 3hap h ALA 44 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hap h ALA 44 Cb 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hap h ALA 44 CO -0.01 -0.46 0.20 0.82 0.00 0.00 0.00 179.25 179.81 3hap h ILE 45 N -0.08 1.14 0.00 0.00 2.04 -1.30 -2.37 117.51 116.94 3hap h ILE 45 Ca 0.00 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3hap h ILE 45 Cb 0.08 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3hap h ILE 45 CO -0.00 0.14 -0.32 0.74 0.00 0.00 0.00 178.15 178.71 3hap h THR 46 N 0.46 0.64 0.13 -0.27 2.02 -1.03 -2.85 112.91 112.01 3hap h THR 46 Ca 0.13 -1.56 -0.28 0.00 0.77 0.00 0.00 66.41 65.47 3hap h THR 46 Cb 0.05 2.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3hap h THR 46 CO -0.02 0.31 -1.24 0.74 0.37 0.00 0.00 175.52 175.69 3hap h THR 47 N 0.00 1.45 -0.78 3.16 2.02 -0.84 -3.29 112.91 114.63 3hap h THR 47 Ca -0.00 -2.92 0.04 0.00 0.77 0.00 0.00 66.41 64.30 3hap h THR 47 Cb 1.03 2.88 -0.04 0.00 -1.74 0.00 0.00 68.15 70.28 3hap h THR 47 CO 0.04 0.86 0.51 -0.07 0.37 0.00 0.00 175.52 177.23 3hap h LEU 48 N 0.11 0.82 0.66 2.58 -0.00 -1.21 -2.70 115.31 115.58 3hap h LEU 48 Ca -0.15 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 3hap h LEU 48 Cb 1.95 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 42.42 3hap h LEU 48 CO 0.21 0.56 -0.41 0.58 -0.00 0.00 0.00 178.44 179.39 3hap h VAL 49 N 0.95 0.00 0.00 1.22 2.07 -1.58 -0.87 116.25 118.04 3hap h VAL 49 Ca 0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 3hap h VAL 49 Cb 0.06 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3hap h VAL 49 CO -0.09 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 178.96 3hap h PRO 50 N -1.00 0.00 -0.46 1.57 0.13 -1.72 -2.33 132.00 128.20 3hap h PRO 50 Ca -0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 3hap h PRO 50 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3hap h PRO 50 CO 0.09 0.09 0.23 0.00 -0.23 0.00 0.00 178.00 178.18 3hap h ALA 51 N 1.91 0.59 -0.31 -0.56 0.00 -1.12 0.19 119.26 119.96 3hap h ALA 51 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hap h ALA 51 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hap h ALA 51 CO 0.01 0.15 -0.03 0.82 0.00 0.00 0.00 179.25 180.20 3hap h ILE 52 N 0.60 1.27 -0.95 0.00 2.04 -0.91 -2.34 117.51 117.22 3hap h ILE 52 Ca 0.16 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3hap h ILE 52 Cb 0.11 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3hap h ILE 52 CO -0.02 0.33 0.58 0.00 0.00 0.00 0.00 178.15 179.04 3hap h ALA 53 N 0.82 1.20 -0.41 1.87 0.00 -1.27 -2.00 119.26 119.47 3hap h ALA 53 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hap h ALA 53 Cb 0.49 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hap h ALA 53 CO 0.02 0.64 0.16 0.35 0.00 0.00 0.00 179.25 180.42 3hap h PHE 54 N 1.30 0.28 -0.99 0.00 3.57 -0.48 0.13 116.94 120.75 3hap h PHE 54 Ca 0.34 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.87 3hap h PHE 54 Cb -0.08 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3hap h PHE 54 CO 0.00 0.11 0.66 1.15 -2.23 0.00 0.00 178.31 178.01 3hap h THR 55 N 0.33 1.25 0.15 4.41 2.02 -0.84 0.58 112.91 120.80 3hap h THR 55 Ca 0.19 -0.46 -0.31 0.00 0.77 0.00 0.00 66.41 66.60 3hap h THR 55 Cb 0.16 -0.21 0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3hap h THR 55 CO -0.18 0.24 -1.29 0.24 0.37 0.00 0.00 175.52 174.90 3hap h MET 56 N 1.34 0.58 -0.69 6.66 2.86 -0.98 -1.31 114.93 123.39 3hap h MET 56 Ca 0.37 -0.83 0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3hap h MET 56 Cb -0.15 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3hap h MET 56 CO -0.08 1.38 0.46 1.88 1.06 0.00 0.00 176.91 181.60 3hap h TYR 57 N 0.24 0.87 -0.42 -0.22 0.05 -0.58 -0.47 116.97 116.43 3hap h TYR 57 Ca -0.20 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 3hap h TYR 57 Cb 1.97 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 39.40 3hap h TYR 57 CO 0.11 0.54 0.15 1.25 -1.05 0.00 0.00 178.16 179.17 3hap h LEU 58 N 0.93 0.60 -0.41 3.88 5.85 -0.87 0.70 115.31 125.99 3hap h LEU 58 Ca 0.25 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hap h LEU 58 Cb -0.10 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3hap h LEU 58 CO -0.06 0.62 0.23 0.77 -0.34 0.00 0.00 178.44 179.66 3hap h SER 59 N 0.54 0.36 -0.72 1.25 4.64 -0.95 -1.53 113.55 117.15 3hap h SER 59 Ca 0.14 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3hap h SER 59 Cb 0.22 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3hap h SER 59 CO -0.01 0.26 0.22 0.24 -0.87 0.00 0.00 176.83 176.67 3hap h MET 60 N 0.46 1.12 -0.89 4.77 2.86 -0.83 -0.85 114.93 121.57 3hap h MET 60 Ca 0.17 -0.24 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3hap h MET 60 Cb 0.04 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.47 3hap h MET 60 CO -0.09 0.96 0.55 1.25 1.06 0.00 0.00 176.91 180.64 3hap h LEU 61 N 1.07 0.83 -0.89 1.22 5.85 -0.43 -1.52 115.31 121.44 3hap h LEU 61 Ca 0.23 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3hap h LEU 61 Cb 0.31 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3hap h LEU 61 CO -0.01 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.77 3hap n LEU 62 N -4.64 1.30 0.00 2.25 4.77 -0.61 -4.89 117.00 115.17 3hap n LEU 62 Ca 0.14 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3hap n LEU 62 Cb 0.24 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hap n LEU 62 CO 0.29 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hap n GLY 63 N 0.91 0.89 4.00 -0.72 0.00 -0.57 -5.06 105.19 104.63 3hap n GLY 63 Ca 0.09 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3hap n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hap s TYR 64 N -2.00 2.95 -1.08 1.61 1.51 -0.36 -4.59 117.35 115.38 3hap s TYR 64 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3hap s TYR 64 Cb 0.00 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3hap s TYR 64 CO 0.00 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 174.55 3hap n GLY 65 N -1.83 0.62 3.09 0.71 0.00 -1.26 -3.72 105.19 102.80 3hap n GLY 65 Ca 0.05 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3hap n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hap s LEU 66 N -2.87 1.79 0.10 0.99 2.96 -1.26 -0.45 118.68 119.93 3hap s LEU 66 Ca 0.00 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3hap s LEU 66 Cb 0.00 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 3hap s LEU 66 CO 0.00 0.07 -0.08 0.28 -1.32 0.00 0.00 176.35 175.31 3hap s THR 67 N 0.57 0.78 -0.13 3.68 -1.32 -0.17 -4.96 115.64 114.09 3hap s THR 67 Ca -0.16 -1.85 -0.13 0.00 -1.21 0.00 0.00 61.69 58.34 3hap s THR 67 Cb -0.16 -1.58 -0.05 0.00 -1.51 0.00 0.00 72.50 69.20 3hap s THR 67 CO 0.05 -0.78 0.29 -0.04 -2.21 0.00 0.00 174.62 171.94 3hap s MET 68 N -3.51 4.12 -0.12 7.08 1.00 -1.26 -0.06 119.30 126.56 3hap s MET 68 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 55.69 55.92 3hap s MET 68 Cb 0.03 -3.37 0.01 0.00 0.00 0.00 0.00 34.83 31.50 3hap s MET 68 CO -0.03 0.36 -0.17 0.08 0.00 0.00 0.00 175.02 175.26 3hap s VAL 69 N 0.09 1.68 -0.11 -6.03 1.01 0.52 -4.88 120.40 112.68 3hap s VAL 69 Ca 0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3hap s VAL 69 Cb -0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3hap s VAL 69 CO 0.05 0.48 1.05 -2.16 0.00 0.00 0.00 175.10 174.51 3hap s PRO 70 N 0.91 4.39 -0.02 2.72 0.04 -1.26 -1.00 135.00 140.79 3hap s PRO 70 Ca -0.07 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 3hap s PRO 70 Cb -0.15 -3.56 0.08 0.00 0.04 0.00 0.00 34.50 30.92 3hap s PRO 70 CO -0.01 -0.37 0.75 -0.59 0.04 0.00 0.00 177.00 176.81 3hap s PHE 71 N 2.16 -0.54 -1.82 0.56 -0.12 -0.50 -4.44 117.98 113.28 3hap s PHE 71 Ca 0.49 0.75 0.00 0.00 -0.05 0.00 0.00 56.93 58.12 3hap s PHE 71 Cb -0.19 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 3hap s PHE 71 CO 0.18 -0.61 0.00 0.41 -0.05 0.00 0.00 175.22 175.15 3hap n GLY 72 N 0.45 0.01 2.08 1.99 0.00 -1.26 -2.44 105.19 106.02 3hap n GLY 72 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hap n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hap n GLY 73 N -0.91 0.58 3.16 -0.02 0.00 -1.26 -5.02 105.19 101.73 3hap n GLY 73 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3hap n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hap s GLU 74 N -0.03 0.95 -0.24 1.61 -1.05 -1.02 -5.13 118.70 113.78 3hap s GLU 74 Ca 0.00 -1.42 -0.19 0.00 -0.15 0.00 0.00 54.97 53.21 3hap s GLU 74 Cb 0.00 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 3hap s GLU 74 CO 0.00 -0.28 0.54 -0.65 0.95 0.00 0.00 175.26 175.83 3hap s GLN 75 N -4.04 4.11 -0.14 -4.83 -1.52 -1.26 -1.42 119.66 110.56 3hap s GLN 75 Ca 0.24 0.40 -0.00 0.00 -1.95 0.00 0.00 55.36 54.05 3hap s GLN 75 Cb 0.07 -3.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.22 3hap s GLN 75 CO 0.02 -0.31 -0.13 -0.80 -0.25 0.00 0.00 175.29 173.82 3hap s ASN 76 N 1.42 3.95 -0.18 5.90 -0.87 -0.17 -4.89 114.94 120.10 3hap s ASN 76 Ca 0.23 -0.36 -0.29 0.00 -1.57 0.00 0.00 52.86 50.87 3hap s ASN 76 Cb -0.16 -1.60 -0.01 0.00 -0.02 0.00 0.00 41.25 39.46 3hap s ASN 76 CO 0.09 0.14 1.21 -2.16 -2.57 0.00 0.00 177.10 173.82 3hap s PRO 77 N 0.47 4.23 -0.16 -0.60 0.04 -1.26 -0.36 135.00 137.37 3hap s PRO 77 Ca -0.09 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.53 3hap s PRO 77 Cb -0.16 -3.74 0.02 0.00 0.04 0.00 0.00 34.50 30.67 3hap s PRO 77 CO 0.04 -0.70 -0.15 0.42 0.04 0.00 0.00 177.00 176.65 3hap s ILE 78 N 3.45 1.69 -0.72 0.56 -1.09 0.92 -4.89 121.20 121.13 3hap s ILE 78 Ca 0.52 -0.74 -0.27 0.00 -2.23 0.00 0.00 60.65 57.93 3hap s ILE 78 Cb -0.20 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.12 3hap s ILE 78 CO 0.13 0.45 1.29 -0.31 -1.23 0.00 0.00 174.94 175.27 3hap s TYR 79 N 1.43 2.30 -0.49 3.97 2.02 -1.26 -1.00 117.35 124.33 3hap s TYR 79 Ca 0.04 0.03 0.24 0.00 -0.37 0.00 0.00 57.07 57.02 3hap s TYR 79 Cb -0.13 -4.60 0.37 0.00 -0.40 0.00 0.00 41.96 37.20 3hap s TYR 79 CO -0.11 -2.02 1.49 0.11 -1.57 0.00 0.00 175.55 173.45 3hap h TRP 80 N 10.11 0.00 0.00 2.71 5.08 -1.13 -3.33 115.95 129.38 3hap h TRP 80 Ca -0.28 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.69 3hap h TRP 80 Cb 1.05 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.21 3hap h TRP 80 CO 1.12 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 178.26 3hap h ALA 81 N 2.18 1.68 -0.99 0.11 0.00 -1.78 -1.67 119.26 118.79 3hap h ALA 81 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3hap h ALA 81 Cb 0.91 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3hap h ALA 81 CO 0.00 0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.90 3hap h ARG 82 N 0.00 0.98 0.00 0.00 3.08 -1.86 -1.69 114.38 114.89 3hap h ARG 82 Ca -0.00 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3hap h ARG 82 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3hap h ARG 82 CO 0.00 0.65 -0.55 1.88 -1.07 0.00 0.00 179.97 180.88 3hap h TYR 83 N 1.01 0.00 -0.27 3.04 0.05 -1.56 -0.07 116.97 119.17 3hap h TYR 83 Ca 0.48 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.12 3hap h TYR 83 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3hap h TYR 83 CO -0.00 0.55 -0.38 0.00 -1.05 0.00 0.00 178.16 177.29 3hap h ALA 84 N 1.45 0.84 0.74 3.88 0.00 -1.37 0.16 119.26 124.96 3hap h ALA 84 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3hap h ALA 84 Cb 1.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hap h ALA 84 CO 0.07 0.64 -0.36 0.22 0.00 0.00 0.00 179.25 179.83 3hap h ASP 85 N 0.51 -0.85 0.04 0.00 1.82 -1.16 -3.33 116.42 113.46 3hap h ASP 85 Ca 0.05 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 3hap h ASP 85 Cb 0.88 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 3hap h ASP 85 CO 0.08 -0.48 -0.12 -0.50 -1.61 0.00 0.00 179.24 176.62 3hap h TRP 86 N -1.26 0.17 -1.01 0.28 6.55 -0.96 -0.99 115.95 118.74 3hap h TRP 86 Ca -0.10 -0.02 0.22 0.00 0.95 0.00 0.00 58.89 59.94 3hap h TRP 86 Cb 0.77 -0.05 -0.11 0.00 -0.86 0.00 0.00 29.16 28.91 3hap h TRP 86 CO 0.00 0.29 0.61 -0.07 -1.05 0.00 0.00 178.44 178.22 3hap h LEU 87 N 0.16 0.72 0.00 -4.49 3.38 -1.06 -2.20 115.31 111.82 3hap h LEU 87 Ca 0.03 0.11 -0.38 0.00 0.09 0.00 0.00 57.88 57.73 3hap h LEU 87 Cb 0.31 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3hap h LEU 87 CO 0.02 0.19 -2.43 0.49 0.09 0.00 0.00 178.44 176.79 3hap n PHE 88 N -4.81 0.05 0.03 1.13 3.72 -0.66 -4.47 117.46 112.45 3hap n PHE 88 Ca 0.25 0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3hap n PHE 88 Cb 0.67 -1.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 3hap n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3hap h THR 89 N 0.00 1.35 -0.29 4.37 1.35 -1.16 -2.81 112.91 115.72 3hap h THR 89 Ca -0.56 -2.14 -0.03 0.00 -0.55 0.00 0.00 66.41 63.13 3hap h THR 89 Cb 1.99 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 70.52 3hap h THR 89 CO -0.05 0.65 0.04 0.71 -0.25 0.00 0.00 175.52 176.62 3hap h THR 90 N 0.35 1.23 -0.06 6.82 1.35 -1.64 -1.35 112.91 119.62 3hap h THR 90 Ca -0.05 -0.80 -0.06 0.00 -0.55 0.00 0.00 66.41 64.94 3hap h THR 90 Cb 1.38 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 3hap h THR 90 CO 0.14 0.26 -0.26 1.55 -0.25 0.00 0.00 175.52 176.97 3hap h PRO 91 N 0.30 0.11 -0.75 4.72 0.13 -1.77 -1.89 132.00 132.84 3hap h PRO 91 Ca 0.09 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3hap h PRO 91 Cb 0.35 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 3hap h PRO 91 CO 0.01 0.36 0.44 -0.07 -0.23 0.00 0.00 178.00 178.50 3hap h LEU 92 N 0.10 0.92 -0.59 1.56 3.38 -1.23 0.74 115.31 120.20 3hap h LEU 92 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hap h LEU 92 Cb 0.51 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3hap h LEU 92 CO 0.04 0.74 0.32 -0.07 0.09 0.00 0.00 178.44 179.55 3hap h LEU 93 N 1.04 0.73 -0.87 1.67 3.38 -0.92 -1.29 115.31 119.05 3hap h LEU 93 Ca 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hap h LEU 93 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3hap h LEU 93 CO -0.05 0.62 0.52 -0.07 0.09 0.00 0.00 178.44 179.55 3hap h LEU 94 N 0.79 1.06 -0.78 1.67 3.38 -0.99 -2.24 115.31 118.20 3hap h LEU 94 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hap h LEU 94 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hap h LEU 94 CO -0.03 0.82 0.49 -0.07 0.09 0.00 0.00 178.44 179.74 3hap h LEU 95 N 1.20 0.92 -0.41 1.67 3.38 -0.45 0.16 115.31 121.79 3hap h LEU 95 Ca 0.31 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3hap h LEU 95 Cb -0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3hap h LEU 95 CO -0.06 0.70 0.07 0.44 0.09 0.00 0.00 178.44 179.68 3hap h ASP 96 N 1.06 -0.02 -0.66 -0.43 3.32 -0.79 0.62 116.42 119.52 3hap h ASP 96 Ca 0.28 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3hap h ASP 96 Cb -0.07 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3hap h ASP 96 CO -0.06 0.03 0.15 -0.07 -1.72 0.00 0.00 179.24 177.57 3hap h LEU 97 N 0.19 1.01 -0.74 1.55 3.38 -0.82 -2.33 115.31 117.55 3hap h LEU 97 Ca 0.20 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3hap h LEU 97 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3hap h LEU 97 CO -0.27 0.98 0.19 0.00 0.09 0.00 0.00 178.44 179.43 3hap h ALA 98 N 1.06 0.97 -0.15 1.53 0.00 -0.11 -2.56 119.26 119.99 3hap h ALA 98 Ca 0.21 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3hap h ALA 98 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hap h ALA 98 CO 0.00 0.67 -0.47 -0.07 0.00 0.00 0.00 179.25 179.39 3hap h LEU 99 N 1.09 0.40 -1.02 0.00 3.38 -0.75 -0.90 115.31 117.50 3hap h LEU 99 Ca 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hap h LEU 99 Cb 0.36 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3hap h LEU 99 CO -0.00 0.81 0.60 -0.07 0.09 0.00 0.00 178.44 179.87 3hap h LEU 100 N 0.30 1.11 -2.28 1.67 3.38 -1.02 -3.07 115.31 115.40 3hap h LEU 100 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hap h LEU 100 Cb 0.94 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hap h LEU 100 CO 0.08 0.82 0.00 1.33 0.09 0.00 0.00 178.44 180.76 3hap n VAL 101 N -4.37 0.48 -3.80 1.22 0.24 -1.08 -4.94 118.33 106.07 3hap n VAL 101 Ca 0.11 -0.74 -0.24 0.00 -2.04 0.00 0.00 64.34 61.43 3hap n VAL 101 Cb 0.04 0.99 0.01 0.00 -1.47 0.00 0.00 33.84 33.41 3hap n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3hap n ASP 102 N 1.31 -1.21 -4.74 -1.34 2.03 -0.69 -4.41 116.55 107.50 3hap n ASP 102 Ca 0.17 -0.92 -0.36 0.00 0.52 0.00 0.00 54.79 54.21 3hap n ASP 102 Cb 0.56 -3.58 0.06 0.00 -0.72 0.00 0.00 41.12 37.44 3hap n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hap s ALA 103 N -3.78 2.37 0.50 -1.67 0.00 -0.43 -4.96 121.76 113.79 3hap s ALA 103 Ca 0.05 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 3hap s ALA 103 Cb -0.02 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3hap s ALA 103 CO 0.85 -1.51 1.27 -0.51 0.00 0.00 0.00 175.76 175.86 3hap s ASP 104 N -1.69 5.71 0.22 0.00 1.01 -1.26 -4.87 116.67 115.78 3hap s ASP 104 Ca 0.78 2.55 -0.08 0.00 0.71 0.00 0.00 52.55 56.51 3hap s ASP 104 Cb -0.32 -2.62 0.34 0.00 1.01 0.00 0.00 42.92 41.33 3hap s ASP 104 CO 0.39 -1.25 1.70 -0.61 0.21 0.00 0.00 175.17 175.60 3hap h GLN 105 N 1.76 0.26 -0.61 8.23 4.15 -2.00 -1.56 115.11 125.34 3hap h GLN 105 Ca -0.50 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 3hap h GLN 105 Cb 1.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 3hap h GLN 105 CO 0.59 0.17 0.27 0.78 -1.93 0.00 0.00 178.83 178.70 3hap h GLY 106 N 0.27 0.95 1.26 2.39 0.00 -1.99 -0.61 103.07 105.33 3hap h GLY 106 Ca 0.35 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3hap h GLY 106 CO -0.44 0.44 -0.15 -0.91 0.00 0.00 0.00 176.54 175.49 3hap h THR 107 N 0.87 1.27 -0.12 4.70 1.35 -1.71 -1.11 112.91 118.17 3hap h THR 107 Ca 0.21 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 3hap h THR 107 Cb 0.14 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3hap h THR 107 CO -0.02 0.43 0.04 0.40 -0.25 0.00 0.00 175.52 176.12 3hap h ILE 108 N 0.77 1.18 -0.69 6.82 2.04 -0.88 -1.12 117.51 125.64 3hap h ILE 108 Ca 0.12 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3hap h ILE 108 Cb 0.67 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3hap h ILE 108 CO 0.05 0.16 0.39 0.25 0.00 0.00 0.00 178.15 178.99 3hap h LEU 109 N 0.00 0.57 -0.35 1.44 5.85 -0.93 -0.36 115.31 121.53 3hap h LEU 109 Ca 0.04 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3hap h LEU 109 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hap h LEU 109 CO -0.00 0.37 0.01 0.00 -0.34 0.00 0.00 178.44 178.47 3hap h ALA 110 N 1.36 0.48 -0.21 1.25 0.00 -1.09 0.88 119.26 121.93 3hap h ALA 110 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hap h ALA 110 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hap h ALA 110 CO -0.19 0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.37 3hap h ALA 111 N 0.87 0.28 -0.69 0.00 0.00 -0.96 -0.12 119.26 118.63 3hap h ALA 111 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hap h ALA 111 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hap h ALA 111 CO 0.02 -0.10 0.18 0.28 0.00 0.00 0.00 179.25 179.63 3hap h VAL 112 N 0.17 1.26 -0.20 0.00 2.07 -1.04 -0.35 116.25 118.15 3hap h VAL 112 Ca 0.07 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3hap h VAL 112 Cb 0.23 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3hap h VAL 112 CO -0.00 0.36 0.11 1.23 0.02 0.00 0.00 177.57 179.29 3hap h GLY 113 N 1.08 0.27 1.12 2.17 0.00 -0.69 -0.99 103.07 106.03 3hap h GLY 113 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3hap h GLY 113 CO -0.00 0.07 0.57 0.00 0.00 0.00 0.00 176.54 177.18 3hap h ALA 114 N 1.09 1.42 -0.40 3.60 0.00 -0.76 -1.72 119.26 122.48 3hap h ALA 114 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hap h ALA 114 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3hap h ALA 114 CO -0.04 0.53 0.18 0.22 0.00 0.00 0.00 179.25 180.13 3hap h ASP 115 N 1.13 0.54 -0.69 0.00 1.82 -0.64 0.68 116.42 119.26 3hap h ASP 115 Ca 0.32 -0.15 0.02 0.00 -0.39 0.00 0.00 57.03 56.83 3hap h ASP 115 Cb -0.08 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 39.75 3hap h ASP 115 CO -0.08 0.54 0.45 1.23 -1.61 0.00 0.00 179.24 179.77 3hap h GLY 116 N 0.51 0.98 1.00 -0.78 0.00 -0.81 -0.35 103.07 103.61 3hap h GLY 116 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hap h GLY 116 CO -0.01 0.32 0.33 -2.22 0.00 0.00 0.00 176.54 174.96 3hap h ILE 117 N 0.90 1.13 -0.13 2.60 2.04 -1.04 0.11 117.51 123.12 3hap h ILE 117 Ca 0.26 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3hap h ILE 117 Cb -0.06 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3hap h ILE 117 CO -0.08 0.12 -0.01 -0.03 0.00 0.00 0.00 178.15 178.16 3hap h MET 118 N 0.68 0.03 -0.15 2.37 4.05 -0.30 -0.10 114.93 121.51 3hap h MET 118 Ca 0.18 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3hap h MET 118 Cb -0.08 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3hap h MET 118 CO -0.04 0.02 -0.33 0.82 0.23 0.00 0.00 176.91 177.61 3hap h ILE 119 N 0.03 1.36 -0.14 1.77 1.08 -0.95 -1.82 117.51 118.83 3hap h ILE 119 Ca 0.06 -1.59 -0.00 0.00 -0.39 0.00 0.00 64.86 62.94 3hap h ILE 119 Cb 0.08 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 3hap h ILE 119 CO -0.11 0.48 0.09 1.23 -0.69 0.00 0.00 178.15 179.14 3hap h GLY 120 N 0.10 0.21 1.54 5.37 0.00 -0.68 -0.93 103.07 108.67 3hap h GLY 120 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3hap h GLY 120 CO 0.07 0.08 -0.29 -0.91 0.00 0.00 0.00 176.54 175.49 3hap h THR 121 N 0.17 1.28 -0.72 4.70 1.35 -1.08 -0.59 112.91 118.01 3hap h THR 121 Ca 0.05 -1.37 0.04 0.00 -0.55 0.00 0.00 66.41 64.58 3hap h THR 121 Cb 0.01 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 3hap h THR 121 CO -0.01 0.43 0.45 1.23 -0.25 0.00 0.00 175.52 177.37 3hap h GLY 122 N 1.03 1.05 0.86 5.82 0.00 -1.08 0.64 103.07 111.39 3hap h GLY 122 Ca 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3hap h GLY 122 CO 0.06 0.27 -0.09 -2.00 0.00 0.00 0.00 176.54 174.78 3hap h LEU 123 N 0.86 0.53 -0.30 3.11 5.85 -0.75 -0.34 115.31 124.28 3hap h LEU 123 Ca 0.29 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3hap h LEU 123 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hap h LEU 123 CO -0.12 0.80 0.05 0.58 -0.34 0.00 0.00 178.44 179.40 3hap h VAL 124 N 0.26 0.84 -0.71 1.05 2.07 -0.90 -1.65 116.25 117.21 3hap h VAL 124 Ca 0.06 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3hap h VAL 124 Cb 0.58 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3hap h VAL 124 CO 0.03 0.03 0.36 1.23 0.02 0.00 0.00 177.57 179.24 3hap h GLY 125 N 0.15 1.06 2.00 2.17 0.00 -0.70 -1.90 103.07 105.85 3hap h GLY 125 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3hap h GLY 125 CO -0.19 0.08 -0.06 0.00 0.00 0.00 0.00 176.54 176.36 3hap h ALA 126 N 1.42 1.25 -0.03 3.60 0.00 -0.17 -2.64 119.26 122.70 3hap h ALA 126 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hap h ALA 126 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hap h ALA 126 CO -0.25 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3hap n LEU 127 N -3.52 2.48 -4.73 0.00 4.77 -0.76 -4.97 117.00 110.27 3hap n LEU 127 Ca -0.02 -1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 3hap n LEU 127 Cb 0.18 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3hap n LEU 127 CO 0.27 0.44 0.65 -0.89 -1.33 0.00 0.00 177.39 176.53 3hap s THR 128 N -1.47 4.54 -0.23 -5.08 2.01 -0.86 -4.97 115.64 109.57 3hap s THR 128 Ca 0.21 2.03 0.20 0.00 0.31 0.00 0.00 61.69 64.43 3hap s THR 128 Cb 0.15 -4.30 0.04 0.00 0.01 0.00 0.00 72.50 68.39 3hap s THR 128 CO 0.22 0.32 1.15 0.11 -0.69 0.00 0.00 174.62 175.73 3hap h LYS 129 N 5.63 0.00 -5.58 4.92 1.57 -1.91 -3.44 116.57 117.76 3hap h LYS 129 Ca -0.43 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.73 3hap h LYS 129 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 3hap h LYS 129 CO 0.72 0.16 0.22 0.08 -0.57 0.00 0.00 179.45 180.06 3hap s VAL 130 N -3.15 4.88 0.15 0.50 1.01 -1.26 -4.38 120.40 118.16 3hap s VAL 130 Ca 0.01 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 3hap s VAL 130 Cb 0.08 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3hap s VAL 130 CO 0.77 -0.21 1.71 0.22 0.00 0.00 0.00 175.10 177.58 3hap h TYR 131 N 8.23 -0.02 -0.75 5.22 5.03 -1.93 -1.58 116.97 131.17 3hap h TYR 131 Ca -0.26 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.08 3hap h TYR 131 Cb 1.11 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 3hap h TYR 131 CO 0.76 -0.06 0.49 0.66 -1.32 0.00 0.00 178.16 178.70 3hap h SER 132 N 0.09 0.85 0.69 -2.11 4.64 -1.97 -2.22 113.55 113.53 3hap h SER 132 Ca 0.16 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3hap h SER 132 Cb 0.22 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3hap h SER 132 CO -0.28 0.62 -0.41 1.88 -0.87 0.00 0.00 176.83 177.77 3hap h TYR 133 N 1.01 0.00 -0.98 4.77 0.05 -1.71 -2.57 116.97 117.54 3hap h TYR 133 Ca 0.27 0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.22 3hap h TYR 133 Cb -0.11 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.54 3hap h TYR 133 CO -0.00 0.41 0.61 0.00 -1.05 0.00 0.00 178.16 178.14 3hap h ARG 134 N 0.00 0.77 0.00 4.88 3.08 -0.99 -1.77 114.38 120.36 3hap h ARG 134 Ca -0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3hap h ARG 134 Cb 0.87 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3hap h ARG 134 CO 0.05 0.51 -0.35 0.74 -1.07 0.00 0.00 179.97 179.86 3hap h PHE 135 N 0.80 0.00 -0.06 3.04 0.04 -1.53 -1.72 116.94 117.51 3hap h PHE 135 Ca 0.52 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 3hap h PHE 135 Cb 0.77 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 3hap h PHE 135 CO -0.00 0.35 0.02 0.28 -0.60 0.00 0.00 178.31 178.36 3hap h VAL 136 N 0.00 1.14 -0.63 -0.55 2.07 -1.30 -0.27 116.25 116.72 3hap h VAL 136 Ca -0.00 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3hap h VAL 136 Cb 1.18 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3hap h VAL 136 CO 0.05 0.12 0.28 -0.50 0.02 0.00 0.00 177.57 177.53 3hap h TRP 137 N -0.07 0.93 -0.76 1.57 4.06 -1.37 -1.54 115.95 118.75 3hap h TRP 137 Ca 0.02 -0.06 0.09 0.00 2.06 0.00 0.00 58.89 61.00 3hap h TRP 137 Cb 0.17 -0.28 -0.07 0.00 -1.00 0.00 0.00 29.16 27.98 3hap h TRP 137 CO -0.02 0.72 0.41 2.35 -3.56 0.00 0.00 178.44 178.34 3hap h TRP 138 N 0.87 0.75 -0.56 0.49 7.01 -1.23 -0.63 115.95 122.65 3hap h TRP 138 Ca 0.21 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.14 3hap h TRP 138 Cb 0.16 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 3hap h TRP 138 CO 0.01 0.29 -0.05 0.00 -2.79 0.00 0.00 178.44 175.90 3hap h ALA 139 N 1.44 0.75 -0.39 2.65 0.00 -0.50 0.31 119.26 123.52 3hap h ALA 139 Ca 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hap h ALA 139 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hap h ALA 139 CO -0.25 0.62 0.18 0.82 0.00 0.00 0.00 179.25 180.62 3hap h ILE 140 N 0.90 1.18 -0.62 0.00 2.04 -0.93 -0.78 117.51 119.31 3hap h ILE 140 Ca 0.15 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3hap h ILE 140 Cb 0.61 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3hap h ILE 140 CO 0.04 0.20 0.31 -1.28 0.00 0.00 0.00 178.15 177.42 3hap h SER 141 N 0.49 0.79 -0.68 1.72 0.87 -0.94 -1.46 113.55 114.35 3hap h SER 141 Ca 0.13 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3hap h SER 141 Cb 0.15 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3hap h SER 141 CO -0.01 0.69 0.14 0.00 -0.53 0.00 0.00 176.83 177.11 3hap h THR 142 N 0.84 1.26 -0.75 2.23 1.03 -0.76 -0.56 112.91 116.20 3hap h THR 142 Ca 0.21 -1.00 0.02 0.00 -0.01 0.00 0.00 66.41 65.63 3hap h THR 142 Cb 0.09 0.58 -0.04 0.00 -1.07 0.00 0.00 68.15 67.71 3hap h THR 142 CO -0.03 0.38 0.49 0.00 -0.01 0.00 0.00 175.52 176.35 3hap h ALA 143 N 1.10 0.97 -0.68 0.00 0.00 -0.75 0.28 119.26 120.17 3hap h ALA 143 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hap h ALA 143 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hap h ALA 143 CO 0.01 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.90 3hap h ALA 144 N 1.30 0.88 -0.44 0.00 0.00 -0.85 -1.41 119.26 118.73 3hap h ALA 144 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hap h ALA 144 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3hap h ALA 144 CO -0.09 0.44 0.28 1.98 0.00 0.00 0.00 179.25 181.87 3hap h MET 145 N 0.95 0.55 -0.22 0.00 -1.53 -0.56 -2.10 114.93 112.02 3hap h MET 145 Ca 0.23 -0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.40 3hap h MET 145 Cb 0.12 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.03 3hap h MET 145 CO -0.03 0.37 -0.15 -0.07 0.14 0.00 0.00 176.91 177.17 3hap h LEU 146 N 0.57 0.35 -0.32 3.39 3.38 -0.63 -0.15 115.31 121.90 3hap h LEU 146 Ca 0.17 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3hap h LEU 146 Cb -0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3hap h LEU 146 CO -0.05 0.53 0.09 0.22 0.09 0.00 0.00 178.44 179.32 3hap h TYR 147 N 0.34 0.16 -0.33 1.13 3.20 -0.86 0.37 116.97 120.98 3hap h TYR 147 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hap h TYR 147 Cb 0.47 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3hap h TYR 147 CO 0.01 0.06 0.16 0.82 -1.64 0.00 0.00 178.16 177.57 3hap h ILE 148 N 0.22 1.15 -0.51 1.81 2.04 -0.58 -1.12 117.51 120.52 3hap h ILE 148 Ca 0.15 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3hap h ILE 148 Cb 0.14 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3hap h ILE 148 CO -0.17 0.16 0.07 -0.07 0.00 0.00 0.00 178.15 178.14 3hap h LEU 149 N 0.40 0.76 -0.19 1.44 3.38 -0.86 0.10 115.31 120.33 3hap h LEU 149 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hap h LEU 149 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hap h LEU 149 CO -0.02 0.79 0.11 0.22 0.09 0.00 0.00 178.44 179.63 3hap h TYR 150 N 0.77 0.26 -0.17 1.13 3.20 -0.60 0.58 116.97 122.15 3hap h TYR 150 Ca 0.16 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3hap h TYR 150 Cb 0.36 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3hap h TYR 150 CO 0.02 0.22 -0.40 -0.39 -1.64 0.00 0.00 178.16 175.97 3hap h VAL 151 N 0.22 1.31 -0.38 1.81 -1.51 -0.77 0.48 116.25 117.40 3hap h VAL 151 Ca 0.07 -1.54 -0.03 0.00 -1.23 0.00 0.00 66.70 63.97 3hap h VAL 151 Cb 0.04 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 3hap h VAL 151 CO -0.01 0.47 0.11 -0.07 -1.23 0.00 0.00 177.57 176.84 3hap h LEU 152 N 0.32 0.55 -0.19 4.19 3.38 -0.78 0.15 115.31 122.94 3hap h LEU 152 Ca 0.03 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 3hap h LEU 152 Cb 0.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hap h LEU 152 CO 0.07 0.62 -0.52 0.15 0.09 0.00 0.00 178.44 178.85 3hap h PHE 153 N 0.46 0.88 0.00 1.13 3.04 -0.51 -3.01 116.94 118.93 3hap h PHE 153 Ca 0.12 -0.35 0.00 0.00 3.98 0.00 0.00 57.97 61.72 3hap h PHE 153 Cb 0.26 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3hap h PHE 153 CO 0.01 1.14 -0.68 1.19 -2.02 0.00 0.00 178.31 177.95 3hap n PHE 154 N -4.14 0.43 0.11 0.41 3.72 0.13 -4.14 117.46 113.98 3hap n PHE 154 Ca -0.06 0.19 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 3hap n PHE 154 Cb 0.61 -0.59 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 3hap n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hap h GLY 155 N -0.91 -0.26 1.51 1.37 0.00 -1.09 -1.32 103.07 102.38 3hap h GLY 155 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 3hap h GLY 155 CO 0.00 -0.09 -0.25 0.74 0.00 0.00 0.00 176.54 176.94 3hap h PHE 156 N -0.44 0.64 -0.61 5.60 -1.00 -0.81 -2.17 116.94 118.14 3hap h PHE 156 Ca -0.03 -0.14 -0.08 0.00 2.81 0.00 0.00 57.97 60.54 3hap h PHE 156 Cb 0.34 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 3hap h PHE 156 CO -0.01 0.77 0.08 1.15 -1.61 0.00 0.00 178.31 178.69 3hap h THR 157 N 0.50 1.26 -0.59 -1.55 2.02 -1.45 0.80 112.91 113.90 3hap h THR 157 Ca 0.07 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.25 3hap h THR 157 Cb 0.70 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3hap h THR 157 CO 0.05 0.38 0.34 0.28 0.37 0.00 0.00 175.52 176.94 3hap h SER 158 N 0.93 0.53 -0.81 4.18 0.02 -0.93 -1.67 113.55 115.80 3hap h SER 158 Ca 0.18 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3hap h SER 158 Cb 0.45 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3hap h SER 158 CO 0.02 0.36 0.33 0.11 -1.14 0.00 0.00 176.83 176.51 3hap h LYS 159 N 0.65 1.20 -0.25 3.45 1.79 -1.03 -2.87 116.57 119.53 3hap h LYS 159 Ca 0.25 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3hap h LYS 159 Cb 0.08 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3hap h LYS 159 CO -0.13 0.96 0.16 0.00 -1.08 0.00 0.00 179.45 179.37 3hap h ALA 160 N 1.18 1.87 0.00 3.86 0.00 0.03 -2.30 119.26 123.90 3hap h ALA 160 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hap h ALA 160 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hap h ALA 160 CO -0.02 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.27 3hap h GLU 161 N 0.30 0.00 -0.00 0.00 4.39 -1.12 -0.49 114.58 117.65 3hap h GLU 161 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3hap h GLU 161 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3hap h GLU 161 CO -0.02 0.00 -0.44 -1.13 -1.16 0.00 0.00 179.01 176.26 3hap n SER 162 N -2.72 0.92 -4.94 1.42 3.41 -0.86 -4.93 113.62 105.91 3hap n SER 162 Ca -0.01 -0.72 -0.25 0.00 -0.26 0.00 0.00 58.87 57.63 3hap n SER 162 Cb 0.12 0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 3hap n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hap s MET 163 N -2.73 2.52 0.46 4.33 -1.94 -0.19 -5.04 119.30 116.70 3hap s MET 163 Ca 0.17 -0.35 -0.24 0.00 -1.71 0.00 0.00 55.69 53.56 3hap s MET 163 Cb 0.18 -2.30 -0.08 0.00 2.01 0.00 0.00 34.83 34.63 3hap s MET 163 CO 0.62 -0.91 1.24 0.54 -0.01 0.00 0.00 175.02 176.50 3hap n ARG 164 N -2.63 1.74 -0.27 2.03 1.74 -1.26 -4.70 116.66 113.32 3hap n ARG 164 Ca 0.07 0.63 0.22 0.00 -0.77 0.00 0.00 57.85 58.00 3hap n ARG 164 Cb 0.59 -2.37 0.55 0.00 -1.02 0.00 0.00 32.46 30.21 3hap n ARG 164 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3hap h PRO 165 N 1.77 0.32 -0.84 5.56 0.11 -1.95 -0.38 132.00 136.59 3hap h PRO 165 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3hap h PRO 165 Cb 1.31 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3hap h PRO 165 CO 0.58 0.21 0.45 1.05 -0.21 0.00 0.00 178.00 180.09 3hap h GLU 166 N 0.33 1.17 -0.06 1.05 4.11 -1.99 0.16 114.58 119.35 3hap h GLU 166 Ca 0.52 -0.14 -0.08 0.00 0.07 0.00 0.00 59.36 59.73 3hap h GLU 166 Cb 1.42 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hap h GLU 166 CO -0.19 0.86 -0.27 0.28 0.07 0.00 0.00 179.01 179.76 3hap h VAL 167 N 1.17 1.44 -1.00 -1.06 2.07 -1.48 -2.52 116.25 114.89 3hap h VAL 167 Ca 0.29 -1.70 0.05 0.00 0.82 0.00 0.00 66.70 66.16 3hap h VAL 167 Cb 0.03 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 3hap h VAL 167 CO -0.05 0.48 0.65 0.00 0.02 0.00 0.00 177.57 178.68 3hap h ALA 168 N 0.41 1.34 -0.36 1.67 0.00 -0.95 -0.13 119.26 121.23 3hap h ALA 168 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hap h ALA 168 Cb 0.92 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hap h ALA 168 CO 0.06 0.52 -0.10 0.77 0.00 0.00 0.00 179.25 180.49 3hap h SER 169 N 1.24 0.72 -0.47 0.00 0.02 -0.70 0.28 113.55 114.64 3hap h SER 169 Ca 0.41 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hap h SER 169 Cb 0.05 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3hap h SER 169 CO -0.14 0.93 0.19 0.74 -1.14 0.00 0.00 176.83 177.41 3hap h THR 170 N 0.51 1.21 -0.59 -2.27 2.02 -1.22 -2.07 112.91 110.49 3hap h THR 170 Ca 0.09 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.69 3hap h THR 170 Cb 0.62 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 3hap h THR 170 CO 0.04 0.24 0.29 0.15 0.37 0.00 0.00 175.52 176.61 3hap h PHE 171 N 0.62 0.53 -0.58 3.16 3.57 -0.79 -1.69 116.94 121.77 3hap h PHE 171 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3hap h PHE 171 Cb 0.19 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3hap h PHE 171 CO 0.00 0.24 0.11 0.87 -2.23 0.00 0.00 178.31 177.30 3hap h LYS 172 N 0.55 0.91 -0.12 1.11 1.57 -0.52 0.32 116.57 120.39 3hap h LYS 172 Ca 0.27 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hap h LYS 172 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3hap h LYS 172 CO -0.20 0.83 0.06 0.28 -0.57 0.00 0.00 179.45 179.85 3hap h VAL 173 N 0.87 1.11 -0.37 0.50 2.07 -1.02 -0.66 116.25 118.75 3hap h VAL 173 Ca 0.18 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 3hap h VAL 173 Cb 0.35 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hap h VAL 173 CO 0.00 0.10 -0.23 -0.07 0.02 0.00 0.00 177.57 177.40 3hap h LEU 174 N 0.07 0.74 -0.37 2.57 3.38 -0.88 -0.77 115.31 120.05 3hap h LEU 174 Ca 0.04 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hap h LEU 174 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hap h LEU 174 CO -0.01 0.95 0.23 -0.09 0.09 0.00 0.00 178.44 179.62 3hap h ARG 175 N 0.64 0.46 -0.55 1.13 2.43 -0.25 -0.22 114.38 118.03 3hap h ARG 175 Ca 0.09 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3hap h ARG 175 Cb 0.72 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3hap h ARG 175 CO 0.06 0.31 0.13 -0.91 -1.51 0.00 0.00 179.97 178.05 3hap h ASN 176 N 0.48 0.83 -0.50 -3.80 2.35 -0.63 0.62 115.58 114.93 3hap h ASN 176 Ca 0.14 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3hap h ASN 176 Cb -0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3hap h ASN 176 CO -0.04 0.85 0.32 0.58 -1.65 0.00 0.00 177.43 177.48 3hap h VAL 177 N 0.77 1.14 -0.21 2.81 2.07 -1.01 -1.61 116.25 120.21 3hap h VAL 177 Ca 0.17 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hap h VAL 177 Cb 0.34 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hap h VAL 177 CO 0.00 0.14 0.11 0.74 0.02 0.00 0.00 177.57 178.59 3hap h THR 178 N 0.68 1.11 -0.50 2.57 2.02 -0.60 -0.97 112.91 117.22 3hap h THR 178 Ca 0.18 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3hap h THR 178 Cb -0.04 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3hap h THR 178 CO -0.04 0.11 0.24 0.58 0.37 0.00 0.00 175.52 176.78 3hap h VAL 179 N 0.23 1.19 -0.22 3.16 2.07 -0.73 0.30 116.25 122.26 3hap h VAL 179 Ca 0.07 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3hap h VAL 179 Cb 0.07 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3hap h VAL 179 CO -0.01 0.21 -0.02 0.58 0.02 0.00 0.00 177.57 178.35 3hap h VAL 180 N 0.67 1.27 -0.07 2.57 2.07 -1.20 -2.29 116.25 119.26 3hap h VAL 180 Ca 0.17 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 3hap h VAL 180 Cb 0.11 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3hap h VAL 180 CO -0.02 0.29 -0.31 -0.07 0.02 0.00 0.00 177.57 177.48 3hap h LEU 181 N 0.15 0.40 -0.96 2.57 3.38 -1.05 -3.26 115.31 116.53 3hap h LEU 181 Ca 0.06 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 3hap h LEU 181 Cb 0.45 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3hap h LEU 181 CO 0.02 0.97 0.24 -0.50 0.09 0.00 0.00 178.44 179.25 3hap h TRP 182 N -0.16 1.01 0.00 1.13 4.06 -1.00 -2.32 115.95 118.67 3hap h TRP 182 Ca -0.02 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3hap h TRP 182 Cb 0.96 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3hap h TRP 182 CO 0.13 0.79 0.00 0.66 -3.56 0.00 0.00 178.44 176.46 3hap h SER 183 N 0.97 0.00 1.20 -3.49 4.64 -1.45 -1.90 113.55 113.51 3hap h SER 183 Ca 0.22 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 3hap h SER 183 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3hap h SER 183 CO -0.01 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 175.16 3hap h ALA 184 N 2.04 0.49 -0.25 5.18 0.00 -1.47 -3.37 119.26 121.89 3hap h ALA 184 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.22 3hap h ALA 184 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hap h ALA 184 CO 0.00 0.98 0.07 1.88 0.00 0.00 0.00 179.25 182.18 3hap h TYR 185 N 0.00 0.12 -0.11 0.00 -1.99 -1.40 -1.17 116.97 112.41 3hap h TYR 185 Ca -0.01 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3hap h TYR 185 Cb 1.60 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.30 3hap h TYR 185 CO 0.00 0.05 0.04 -1.00 -0.00 0.00 0.00 178.16 177.25 3hap h PRO 186 N 0.18 0.15 -0.23 4.88 0.13 -1.74 -1.46 132.00 133.92 3hap h PRO 186 Ca 0.11 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 3hap h PRO 186 Cb 0.09 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 3hap h PRO 186 CO -0.13 0.13 -0.34 0.28 -0.23 0.00 0.00 178.00 177.71 3hap h VAL 187 N 0.15 1.32 -0.63 1.56 2.07 -1.56 -0.70 116.25 118.46 3hap h VAL 187 Ca 0.04 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3hap h VAL 187 Cb 0.04 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3hap h VAL 187 CO -0.00 0.48 0.41 0.58 0.02 0.00 0.00 177.57 179.06 3hap h VAL 188 N 0.34 1.17 -0.35 2.57 2.07 -0.78 -1.56 116.25 119.71 3hap h VAL 188 Ca 0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3hap h VAL 188 Cb 0.93 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3hap h VAL 188 CO 0.08 0.17 0.15 -0.25 0.02 0.00 0.00 177.57 177.73 3hap h TRP 189 N 0.86 0.54 -0.83 1.57 7.01 -1.22 -0.24 115.95 123.63 3hap h TRP 189 Ca 0.23 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.23 3hap h TRP 189 Cb -0.08 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.77 3hap h TRP 189 CO -0.03 0.49 0.54 1.25 -2.79 0.00 0.00 178.44 177.90 3hap h LEU 190 N 0.43 0.89 0.00 0.65 5.85 -0.69 -2.42 115.31 120.01 3hap h LEU 190 Ca 0.12 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hap h LEU 190 Cb 0.17 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hap h LEU 190 CO -0.01 0.61 -0.85 2.30 -0.34 0.00 0.00 178.44 180.15 3hap n ILE 191 N -4.57 0.04 -1.39 4.05 -5.35 -0.62 -0.26 119.36 111.26 3hap n ILE 191 Ca 0.10 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3hap n ILE 191 Cb 0.09 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 3hap n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hap n GLY 192 N 1.46 1.85 0.28 3.28 0.00 -0.11 -1.09 105.19 110.86 3hap n GLY 192 Ca 0.04 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.21 3hap n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hap h SER 193 N 0.00 0.00 1.34 1.61 0.02 -1.81 0.39 113.55 115.10 3hap h SER 193 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3hap h SER 193 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hap h SER 193 CO 0.00 0.00 -0.69 -0.33 -1.14 0.00 0.00 176.83 174.67 3hap h GLU 194 N 0.00 0.00 0.00 3.45 3.07 -1.91 -3.43 114.58 115.76 3hap h GLU 194 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3hap h GLU 194 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3hap h GLU 194 CO -0.00 0.20 0.00 0.41 -1.40 0.00 0.00 179.01 178.22 3hap n GLY 195 N 1.22 1.12 0.18 -3.84 0.00 -0.79 -4.90 105.19 98.17 3hap n GLY 195 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3hap n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hap h ALA 196 N 0.30 1.00 -1.20 4.61 0.00 -0.64 -3.47 119.26 119.85 3hap h ALA 196 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3hap h ALA 196 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hap h ALA 196 CO 0.00 0.00 -0.25 0.41 0.00 0.00 0.00 179.25 179.41 3hap n GLY 197 N 0.51 0.30 0.08 0.00 0.00 0.06 -4.93 105.19 101.22 3hap n GLY 197 Ca 0.03 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3hap n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hap h ILE 198 N 0.00 1.57 -3.33 -0.61 2.04 -1.36 -3.44 117.51 112.37 3hap h ILE 198 Ca -0.24 -2.31 -0.58 0.00 1.00 0.00 0.00 64.86 62.73 3hap h ILE 198 Cb 1.04 3.10 -0.07 0.00 -0.74 0.00 0.00 36.82 40.14 3hap h ILE 198 CO 0.30 0.54 0.31 -0.69 0.00 0.00 0.00 178.15 178.61 3hap s VAL 199 N -2.26 4.92 0.75 1.67 1.01 -0.25 -5.01 120.40 121.23 3hap s VAL 199 Ca -0.21 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 3hap s VAL 199 Cb -0.01 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3hap s VAL 199 CO 0.67 0.06 1.13 -2.16 0.00 0.00 0.00 175.10 174.80 3hap s PRO 200 N 1.97 2.20 0.39 2.72 0.04 -1.26 -3.75 135.00 137.32 3hap s PRO 200 Ca 0.36 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.90 3hap s PRO 200 Cb -0.17 -1.87 0.84 0.00 0.04 0.00 0.00 34.50 33.34 3hap s PRO 200 CO 0.13 -1.72 2.00 1.25 0.04 0.00 0.00 177.00 178.70 3hap h LEU 201 N -0.72 0.54 -0.47 -3.56 5.85 -1.97 -0.28 115.31 114.70 3hap h LEU 201 Ca -0.45 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 3hap h LEU 201 Cb 1.25 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3hap h LEU 201 CO 0.50 0.36 0.14 -0.55 -0.34 0.00 0.00 178.44 178.56 3hap h ASN 202 N 0.62 0.70 -0.27 1.25 -1.07 -1.92 -0.17 115.58 114.71 3hap h ASN 202 Ca 0.24 -0.21 -0.19 0.00 0.07 0.00 0.00 56.30 56.21 3hap h ASN 202 Cb 0.19 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 3hap h ASN 202 CO -0.07 0.72 -0.59 0.40 0.07 0.00 0.00 177.43 177.96 3hap h ILE 203 N 0.63 1.27 -0.74 6.14 2.04 -1.76 -2.36 117.51 122.74 3hap h ILE 203 Ca 0.15 -1.77 0.06 0.00 1.00 0.00 0.00 64.86 64.30 3hap h ILE 203 Cb 0.28 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3hap h ILE 203 CO -0.00 0.58 0.44 -0.08 0.00 0.00 0.00 178.15 179.08 3hap h GLU 204 N 0.66 0.79 -0.74 2.37 4.81 -0.94 -0.16 114.58 121.37 3hap h GLU 204 Ca 0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3hap h GLU 204 Cb 1.20 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3hap h GLU 204 CO 0.13 0.52 0.23 1.15 -0.73 0.00 0.00 179.01 180.32 3hap h THR 205 N 0.81 1.26 -0.27 0.32 2.02 -0.89 0.43 112.91 116.60 3hap h THR 205 Ca 0.32 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.64 3hap h THR 205 Cb 0.16 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3hap h THR 205 CO -0.17 0.35 0.07 0.25 0.37 0.00 0.00 175.52 176.40 3hap h LEU 206 N 1.10 0.06 -0.12 2.58 5.85 -0.87 -0.71 115.31 123.20 3hap h LEU 206 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3hap h LEU 206 Cb 0.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hap h LEU 206 CO -0.01 0.07 0.06 -0.07 -0.34 0.00 0.00 178.44 178.15 3hap h LEU 207 N 0.18 0.16 -1.40 2.25 3.38 -0.47 -1.33 115.31 118.09 3hap h LEU 207 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hap h LEU 207 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hap h LEU 207 CO -0.14 0.22 0.14 -0.26 0.09 0.00 0.00 178.44 178.49 3hap h PHE 208 N 0.09 0.53 -0.12 1.13 0.04 -0.88 -1.00 116.94 116.74 3hap h PHE 208 Ca 0.04 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hap h PHE 208 Cb 0.10 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 3hap h PHE 208 CO -0.03 0.44 0.07 1.98 -0.60 0.00 0.00 178.31 180.16 3hap h MET 209 N 0.54 0.17 -0.25 1.51 4.05 -0.71 0.25 114.93 120.49 3hap h MET 209 Ca 0.13 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3hap h MET 209 Cb 0.14 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3hap h MET 209 CO -0.01 0.19 0.14 0.28 0.23 0.00 0.00 176.91 177.74 3hap h VAL 210 N 0.10 1.11 -0.12 -5.77 2.07 -0.93 -0.11 116.25 112.61 3hap h VAL 210 Ca 0.04 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hap h VAL 210 Cb 0.07 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hap h VAL 210 CO -0.01 0.11 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 3hap h LEU 211 N 0.30 0.15 -0.02 2.57 3.38 -1.06 -1.41 115.31 119.22 3hap h LEU 211 Ca 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hap h LEU 211 Cb 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hap h LEU 211 CO -0.01 0.20 0.01 0.44 0.09 0.00 0.00 178.44 179.17 3hap h ASP 212 N 0.08 0.03 -0.51 -0.43 3.32 -0.34 0.38 116.42 118.95 3hap h ASP 212 Ca 0.04 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hap h ASP 212 Cb 0.09 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hap h ASP 212 CO -0.01 0.06 0.21 0.58 -1.72 0.00 0.00 179.24 178.36 3hap h VAL 213 N -0.00 1.21 -0.68 -1.35 2.07 -0.99 -1.84 116.25 114.67 3hap h VAL 213 Ca 0.01 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3hap h VAL 213 Cb 0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3hap h VAL 213 CO -0.00 0.25 0.43 0.28 0.02 0.00 0.00 177.57 178.55 3hap h SER 214 N 0.68 0.80 1.25 0.57 0.02 -1.09 0.19 113.55 115.98 3hap h SER 214 Ca 0.17 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hap h SER 214 Cb 0.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3hap h SER 214 CO -0.01 0.61 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 3hap h ALA 215 N 1.23 1.00 0.00 3.77 0.00 -0.62 -1.06 119.26 123.58 3hap h ALA 215 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hap h ALA 215 Cb -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hap h ALA 215 CO -0.05 0.00 -0.34 1.63 0.00 0.00 0.00 179.25 180.49 3hap n LYS 216 N -2.71 0.14 0.02 0.00 5.02 -0.72 -4.41 118.16 115.52 3hap n LYS 216 Ca 0.03 0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 3hap n LYS 216 Cb 0.36 -0.75 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 3hap n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hap h VAL 217 N -0.27 1.46 0.37 -0.18 2.07 -0.84 -0.28 116.25 118.57 3hap h VAL 217 Ca -0.01 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 3hap h VAL 217 Cb 0.32 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3hap h VAL 217 CO -0.01 0.65 -0.18 1.23 0.02 0.00 0.00 177.57 179.29 3hap h GLY 218 N -0.19 -0.51 0.17 2.17 0.00 -1.01 0.61 103.07 104.30 3hap h GLY 218 Ca -0.10 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.49 3hap h GLY 218 CO 0.14 -0.19 -0.14 -2.75 0.00 0.00 0.00 176.54 173.60 3hap h PHE 219 N -0.50 -0.32 -0.86 5.60 3.04 -1.30 -2.03 116.94 120.57 3hap h PHE 219 Ca -0.05 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 3hap h PHE 219 Cb 0.38 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.05 3hap h PHE 219 CO -0.05 -0.21 0.43 0.78 -2.02 0.00 0.00 178.31 177.24 3hap h GLY 220 N -0.06 1.31 1.00 2.40 0.00 -0.85 -0.94 103.07 105.93 3hap h GLY 220 Ca 0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hap h GLY 220 CO -0.42 0.60 0.37 1.41 0.00 0.00 0.00 176.54 178.51 3hap h LEU 221 N 1.22 0.76 -0.07 3.11 3.38 -0.47 0.14 115.31 123.37 3hap h LEU 221 Ca 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hap h LEU 221 Cb 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hap h LEU 221 CO -0.04 0.60 0.03 0.40 0.09 0.00 0.00 178.44 179.53 3hap h ILE 222 N 0.85 1.12 0.02 1.22 2.04 -0.94 -2.68 117.51 119.15 3hap h ILE 222 Ca 0.22 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3hap h ILE 222 Cb -0.01 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3hap h ILE 222 CO -0.04 0.10 -0.01 0.25 0.00 0.00 0.00 178.15 178.45 3hap h LEU 223 N -0.02 -0.03 -0.12 1.44 5.85 -1.00 -3.22 115.31 118.23 3hap h LEU 223 Ca 0.02 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hap h LEU 223 Cb 0.13 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hap h LEU 223 CO -0.00 0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.36 3hap n LEU 224 N -5.06 0.70 -0.30 2.25 4.77 0.46 -2.08 117.00 117.74 3hap n LEU 224 Ca -0.07 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3hap n LEU 224 Cb 0.08 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.17 3hap n LEU 224 CO 0.33 -0.23 0.67 -2.11 -1.33 0.00 0.00 177.39 174.72 3hap n ARG 225 N -2.18 1.00 -3.10 3.23 1.85 -1.01 -4.95 116.66 111.50 3hap n ARG 225 Ca 0.05 -0.61 -0.30 0.00 -1.00 0.00 0.00 57.85 55.99 3hap n ARG 225 Cb 0.38 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.27 3hap n ARG 225 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3hap s SER 226 N -2.42 6.55 0.29 2.89 0.15 -0.88 -4.97 113.70 115.31 3hap s SER 226 Ca 0.26 1.01 0.26 0.00 0.70 0.00 0.00 55.95 58.18 3hap s SER 226 Cb 0.19 -2.27 0.89 0.00 -1.71 0.00 0.00 66.02 63.13 3hap s SER 226 CO 0.49 -0.27 1.76 0.03 1.20 0.00 0.00 173.24 176.45 3hap h ARG 227 N 1.68 0.00 -0.05 5.44 3.08 -1.92 -3.32 114.38 119.29 3hap h ARG 227 Ca -0.47 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.59 3hap h ARG 227 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hap h ARG 227 CO 0.65 0.00 0.06 0.00 -1.07 0.00 0.00 179.97 179.62 3hap h ALA 228 N 2.31 1.59 0.00 0.04 0.00 -1.89 -2.21 119.26 119.10 3hap h ALA 228 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hap h ALA 228 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hap h ALA 228 CO 0.00 -0.09 -0.05 0.44 0.00 0.00 0.00 179.25 179.54 3hap n ILE 229 N -3.80 0.03 -3.16 0.00 -5.35 -1.25 -4.87 119.36 100.96 3hap n ILE 229 Ca -0.02 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 3hap n ILE 229 Cb 0.16 -0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 3hap n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3hap s PHE 230 N -3.00 3.75 -2.05 4.28 0.40 -0.83 -2.23 117.98 118.28 3hap s PHE 230 Ca 0.14 1.31 0.32 0.00 -0.60 0.00 0.00 56.93 58.09 3hap s PHE 230 Cb 0.19 -2.63 1.82 0.00 0.51 0.00 0.00 43.02 42.90 3hap s PHE 230 CO 0.55 0.42 2.18 0.41 0.70 0.00 0.00 175.22 179.48