#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3n s LEU 2 N 0.00 4.09 1.04 7.52 1.43 -1.26 -5.04 118.68 126.46 1a3n s LEU 2 Ca 0.00 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1a3n s LEU 2 Cb 0.00 -3.09 0.21 0.00 0.03 0.00 0.00 46.19 43.34 1a3n s LEU 2 CO 0.00 -0.69 1.08 -0.94 0.23 0.00 0.00 176.35 176.02 1a3n s SER 3 N 1.73 2.17 0.28 2.29 1.04 -1.26 -4.78 113.70 115.18 1a3n s SER 3 Ca 0.33 1.26 -0.03 0.00 0.48 0.00 0.00 55.95 57.99 1a3n s SER 3 Cb -0.13 -1.96 0.38 0.00 0.10 0.00 0.00 66.02 64.41 1a3n s SER 3 CO 0.15 -3.43 1.93 -0.65 0.98 0.00 0.00 173.24 172.22 1a3n h PRO 4 N -2.09 1.11 -0.49 4.02 0.11 -1.99 -1.03 132.00 131.63 1a3n h PRO 4 Ca -0.56 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.36 1a3n h PRO 4 Cb 1.33 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1a3n h PRO 4 CO 0.56 0.77 -0.04 0.00 -0.21 0.00 0.00 178.00 179.08 1a3n h ALA 5 N 1.42 1.00 -0.48 -0.75 0.00 -1.99 -0.71 119.26 117.75 1a3n h ALA 5 Ca 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a3n h ALA 5 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a3n h ALA 5 CO -0.06 0.61 0.30 -0.44 0.00 0.00 0.00 179.25 179.66 1a3n h ASP 6 N 0.78 0.57 -0.50 0.00 3.32 -1.68 0.03 116.42 118.94 1a3n h ASP 6 Ca 0.14 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1a3n h ASP 6 Cb 0.53 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1a3n h ASP 6 CO 0.03 0.45 0.17 0.11 -1.72 0.00 0.00 179.24 178.28 1a3n h LYS 7 N 0.65 0.77 -0.48 3.56 1.57 -0.72 -0.30 116.57 121.61 1a3n h LYS 7 Ca 0.17 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1a3n h LYS 7 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1a3n h LYS 7 CO -0.03 0.70 0.29 1.15 -0.57 0.00 0.00 179.45 180.99 1a3n h THR 8 N 0.67 1.06 -0.48 -0.16 2.02 -0.86 -0.80 112.91 114.36 1a3n h THR 8 Ca 0.16 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1a3n h THR 8 Cb 0.24 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1a3n h THR 8 CO -0.01 0.11 0.25 0.78 0.37 0.00 0.00 175.52 177.02 1a3n h ASN 9 N 0.58 0.61 -0.34 4.18 2.35 -0.61 -2.17 115.58 120.17 1a3n h ASN 9 Ca 0.19 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1a3n h ASN 9 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1a3n h ASN 9 CO -0.08 0.54 0.08 0.58 -1.65 0.00 0.00 177.43 176.90 1a3n h VAL 10 N 0.63 1.22 -0.94 2.81 2.07 -0.90 -1.78 116.25 119.35 1a3n h VAL 10 Ca 0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1a3n h VAL 10 Cb 0.08 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1a3n h VAL 10 CO -0.02 0.25 0.56 0.11 0.02 0.00 0.00 177.57 178.48 1a3n h LYS 11 N 0.39 1.29 -0.05 1.57 1.57 -1.06 -0.28 116.57 120.00 1a3n h LYS 11 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1a3n h LYS 11 Cb 0.30 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a3n h LYS 11 CO 0.00 0.91 -0.05 0.00 -0.57 0.00 0.00 179.45 179.74 1a3n h ALA 12 N 1.31 0.08 -0.19 3.86 0.00 -1.30 -0.84 119.26 122.18 1a3n h ALA 12 Ca 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a3n h ALA 12 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a3n h ALA 12 CO -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1a3n h ALA 13 N 0.57 0.25 -0.03 0.00 0.00 -1.16 -2.72 119.26 116.16 1a3n h ALA 13 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1a3n h ALA 13 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a3n h ALA 13 CO 0.01 -0.07 -0.43 2.35 0.00 0.00 0.00 179.25 181.11 1a3n h TRP 14 N 0.09 0.08 -0.35 0.00 2.91 -1.12 -2.53 115.95 115.02 1a3n h TRP 14 Ca 0.06 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1a3n h TRP 14 Cb 0.34 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 1a3n h TRP 14 CO 0.02 0.49 0.08 0.78 -1.03 0.00 0.00 178.44 178.78 1a3n h GLY 15 N 1.29 0.54 2.00 2.65 0.00 -1.04 -1.50 103.07 107.01 1a3n h GLY 15 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1a3n h GLY 15 CO 0.06 0.26 -0.18 0.50 0.00 0.00 0.00 176.54 177.19 1a3n h LYS 16 N 0.50 0.00 -0.29 4.80 1.79 -1.13 -2.76 116.57 119.48 1a3n h LYS 16 Ca 0.12 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1a3n h LYS 16 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1a3n h LYS 16 CO -0.00 0.18 0.10 0.28 -1.08 0.00 0.00 179.45 178.92 1a3n h VAL 17 N 0.00 1.19 0.00 0.50 2.07 -1.19 -3.46 116.25 115.36 1a3n h VAL 17 Ca -0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1a3n h VAL 17 Cb 0.75 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1a3n h VAL 17 CO 0.02 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1a3n n GLY 18 N -0.68 2.49 0.09 2.17 0.00 -1.04 -1.10 105.19 107.12 1a3n n GLY 18 Ca -0.02 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.45 1a3n n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3n n ALA 19 N 10.27 1.63 1.52 4.61 0.00 -1.26 -2.79 120.51 134.49 1a3n n ALA 19 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1a3n n ALA 19 Cb 0.00 -1.34 0.61 0.00 0.00 0.00 0.00 19.45 18.72 1a3n n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a3n n HIS 20 N -2.02 0.00 -0.19 0.00 8.25 -0.26 -4.43 115.22 116.56 1a3n n HIS 20 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1a3n n HIS 20 Cb 0.20 -0.08 0.06 0.00 1.12 0.00 0.00 29.99 31.29 1a3n n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a3n h ALA 21 N 3.94 0.41 -0.48 -1.41 0.00 -1.65 0.72 119.26 120.80 1a3n h ALA 21 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1a3n h ALA 21 Cb 0.37 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1a3n h ALA 21 CO 0.00 -0.43 -0.29 0.78 0.00 0.00 0.00 179.25 179.31 1a3n h GLY 22 N 0.01 -0.08 1.01 0.00 0.00 -1.83 0.18 103.07 102.36 1a3n h GLY 22 Ca 0.28 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 1a3n h GLY 22 CO -0.59 -0.21 0.43 -2.09 0.00 0.00 0.00 176.54 174.08 1a3n h GLU 23 N -0.18 1.07 -0.13 4.80 4.81 -1.50 -1.73 114.58 121.73 1a3n h GLU 23 Ca 0.21 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1a3n h GLU 23 Cb 0.52 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1a3n h GLU 23 CO -0.58 0.79 -0.68 1.88 -0.73 0.00 0.00 179.01 179.69 1a3n h TYR 24 N 1.07 0.68 -0.28 0.92 -1.99 -0.33 -1.67 116.97 115.36 1a3n h TYR 24 Ca 0.27 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1a3n h TYR 24 Cb 0.02 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 1a3n h TYR 24 CO -0.00 1.04 0.12 0.78 -0.00 0.00 0.00 178.16 180.11 1a3n h GLY 25 N 1.09 0.45 1.01 3.88 0.00 -0.48 -0.75 103.07 108.28 1a3n h GLY 25 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1a3n h GLY 25 CO 0.12 0.22 0.48 0.00 0.00 0.00 0.00 176.54 177.37 1a3n h ALA 26 N 0.97 1.02 -0.51 3.60 0.00 -1.22 -1.94 119.26 121.18 1a3n h ALA 26 Ca 0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1a3n h ALA 26 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a3n h ALA 26 CO -0.01 0.49 -0.01 1.49 0.00 0.00 0.00 179.25 181.21 1a3n h GLU 27 N 1.10 0.87 -0.73 0.00 4.81 -1.12 -1.78 114.58 117.73 1a3n h GLU 27 Ca 0.29 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1a3n h GLU 27 Cb -0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1a3n h GLU 27 CO -0.05 0.88 0.22 0.00 -0.73 0.00 0.00 179.01 179.33 1a3n h ALA 28 N 1.17 1.02 -0.23 2.92 0.00 -0.87 0.84 119.26 124.11 1a3n h ALA 28 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a3n h ALA 28 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a3n h ALA 28 CO 0.03 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 1a3n h LEU 29 N 1.08 0.35 -0.63 0.00 3.38 -1.05 0.15 115.31 118.60 1a3n h LEU 29 Ca 0.24 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a3n h LEU 29 Cb 0.30 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1a3n h LEU 29 CO -0.01 0.51 0.39 -0.08 0.09 0.00 0.00 178.44 179.34 1a3n h GLU 30 N 0.18 0.76 -0.44 1.13 4.81 -1.13 0.15 114.58 120.05 1a3n h GLU 30 Ca 0.07 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1a3n h GLU 30 Cb 0.30 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1a3n h GLU 30 CO 0.00 0.50 0.18 0.00 -0.73 0.00 0.00 179.01 178.96 1a3n h ARG 31 N 0.78 0.35 -0.16 1.92 3.08 -0.58 -1.28 114.38 118.49 1a3n h ARG 31 Ca 0.25 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1a3n h ARG 31 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1a3n h ARG 31 CO -0.09 0.23 0.08 1.98 -1.07 0.00 0.00 179.97 181.10 1a3n h MET 32 N 0.36 0.24 -0.64 0.04 4.05 0.11 -0.67 114.93 118.41 1a3n h MET 32 Ca 0.20 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1a3n h MET 32 Cb 0.16 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1a3n h MET 32 CO -0.18 0.29 0.39 0.74 0.23 0.00 0.00 176.91 178.38 1a3n h PHE 33 N 0.13 0.84 0.09 1.39 0.04 -0.49 0.83 116.94 119.77 1a3n h PHE 33 Ca 0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.58 1a3n h PHE 33 Cb 0.13 -0.28 0.02 0.00 2.20 0.00 0.00 35.95 38.03 1a3n h PHE 33 CO -0.02 0.56 -1.04 -0.07 -0.60 0.00 0.00 178.31 177.14 1a3n h LEU 34 N 0.88 0.75 -0.08 1.54 3.38 -1.18 -3.23 115.31 117.38 1a3n h LEU 34 Ca 0.23 -0.83 -0.24 0.00 0.09 0.00 0.00 57.88 57.13 1a3n h LEU 34 Cb -0.04 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1a3n h LEU 34 CO -0.04 1.50 -1.04 0.28 0.09 0.00 0.00 178.44 179.22 1a3n h SER 35 N 0.11 0.55 -2.68 -0.43 0.02 -1.05 -3.40 113.55 106.67 1a3n h SER 35 Ca -0.16 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.72 1a3n h SER 35 Cb 1.74 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.71 1a3n h SER 35 CO 0.20 1.30 -0.75 0.49 -1.14 0.00 0.00 176.83 176.92 1a3n n PHE 36 N -3.70 1.54 0.32 3.45 3.72 0.28 -4.98 117.46 118.07 1a3n n PHE 36 Ca -0.08 -3.89 0.19 0.00 -0.05 0.00 0.00 57.45 53.63 1a3n n PHE 36 Cb 0.89 -0.28 1.06 0.00 -0.94 0.00 0.00 39.48 40.22 1a3n n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a3n h PRO 37 N 5.29 0.00 0.00 -1.08 0.11 -1.72 -0.71 132.00 133.89 1a3n h PRO 37 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a3n h PRO 37 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1a3n h PRO 37 CO 0.58 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 180.17 1a3n h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -1.01 112.91 110.20 1a3n h THR 38 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1a3n h THR 38 Cb 0.06 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1a3n h THR 38 CO 0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1a3n h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.44 -2.17 112.91 117.48 1a3n h THR 39 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1a3n h THR 39 Cb 0.23 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1a3n h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1a3n h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.35 -2.74 116.57 118.76 1a3n h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a3n h LYS 40 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1a3n h LYS 40 CO 0.00 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.69 1a3n h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.54 -1.18 112.91 111.37 1a3n h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a3n h THR 41 Cb 0.40 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1a3n h THR 41 CO 0.00 0.00 -0.27 -1.22 -0.25 0.00 0.00 175.52 173.78 1a3n n TYR 42 N -3.06 0.00 -2.48 4.73 4.01 -1.03 -4.37 117.16 114.95 1a3n n TYR 42 Ca -0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1a3n n TYR 42 Cb 0.08 -0.16 0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1a3n n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a3n n PHE 43 N -0.87 2.17 0.37 -0.72 3.01 -0.45 -4.84 117.46 116.13 1a3n n PHE 43 Ca 0.11 -2.52 0.13 0.00 1.01 0.00 0.00 57.45 56.17 1a3n n PHE 43 Cb 0.33 -0.26 0.53 0.00 -0.01 0.00 0.00 39.48 40.08 1a3n n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a3n h PRO 44 N 2.56 0.00 -0.12 -1.08 0.13 -1.76 -2.33 132.00 129.40 1a3n h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1a3n h PRO 44 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1a3n h PRO 44 CO 0.57 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.95 1a3n n HIS 45 N -2.37 0.14 -4.12 1.56 1.44 -1.26 -4.90 115.22 105.70 1a3n n HIS 45 Ca 0.02 -0.07 -0.29 0.00 -2.01 0.00 0.00 57.72 55.37 1a3n n HIS 45 Cb 0.23 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.27 1a3n n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a3n s PHE 46 N -1.86 3.02 -0.36 -1.40 0.40 -0.88 -5.06 117.98 111.84 1a3n s PHE 46 Ca 0.35 -0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.39 1a3n s PHE 46 Cb 0.19 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 42.23 1a3n s PHE 46 CO 0.30 0.50 0.89 0.34 0.70 0.00 0.00 175.22 177.95 1a3n s ASP 47 N -2.63 6.66 0.00 1.36 2.15 -1.26 -4.89 116.67 118.06 1a3n s ASP 47 Ca 0.28 0.54 0.22 0.00 0.43 0.00 0.00 52.55 54.02 1a3n s ASP 47 Cb -0.11 -2.45 0.51 0.00 -0.30 0.00 0.00 42.92 40.58 1a3n s ASP 47 CO 0.20 -0.82 1.44 0.18 -0.17 0.00 0.00 175.17 176.00 1a3n n LEU 48 N 6.68 3.12 -4.63 -1.34 4.77 -1.26 -4.49 117.00 119.85 1a3n n LEU 48 Ca 0.06 -1.40 -0.35 0.00 -0.03 0.00 0.00 56.01 54.29 1a3n n LEU 48 Cb 0.48 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1a3n n LEU 48 CO 0.57 0.70 0.58 -1.54 -1.33 0.00 0.00 177.39 176.37 1a3n n SER 49 N 1.25 0.64 -4.64 -1.43 3.41 -1.26 -4.85 113.62 106.74 1a3n n SER 49 Ca 0.19 0.66 -0.48 0.00 -0.26 0.00 0.00 58.87 58.99 1a3n n SER 49 Cb 0.54 -1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.01 1a3n n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1a3n n HIS 50 N -2.58 1.97 -0.99 7.33 -0.00 -1.26 -1.81 115.22 117.88 1a3n n HIS 50 Ca 0.13 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.73 1a3n n HIS 50 Cb 0.49 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 1a3n n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a3n n GLY 51 N 2.98 0.77 3.72 1.57 0.00 -1.26 -5.01 105.19 107.97 1a3n n GLY 51 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1a3n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a3n n SER 52 N -0.01 2.58 -0.36 1.61 3.41 -0.75 -4.84 113.62 115.26 1a3n n SER 52 Ca 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1a3n n SER 52 Cb 0.01 -1.55 0.14 0.00 -0.26 0.00 0.00 64.21 62.55 1a3n n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3n h ALA 53 N 1.61 1.28 -0.53 7.33 0.00 -1.91 -1.63 119.26 125.41 1a3n h ALA 53 Ca -0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1a3n h ALA 53 Cb 1.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1a3n h ALA 53 CO 0.58 0.49 0.22 1.96 0.00 0.00 0.00 179.25 182.50 1a3n h GLN 54 N 1.20 0.78 -0.48 0.00 4.20 -1.90 0.61 115.11 119.52 1a3n h GLN 54 Ca 0.39 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 1a3n h GLN 54 Cb 0.03 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1a3n h GLN 54 CO -0.13 0.67 -0.17 0.28 -0.67 0.00 0.00 178.83 178.81 1a3n h VAL 55 N 0.71 1.27 -0.69 -0.54 2.07 -1.68 -0.39 116.25 117.01 1a3n h VAL 55 Ca 0.18 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1a3n h VAL 55 Cb 0.17 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1a3n h VAL 55 CO -0.02 0.46 0.38 0.11 0.02 0.00 0.00 177.57 178.51 1a3n h LYS 56 N 0.81 0.96 -0.24 1.57 1.57 -1.18 0.30 116.57 120.35 1a3n h LYS 56 Ca 0.11 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1a3n h LYS 56 Cb 0.74 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1a3n h LYS 56 CO 0.06 0.72 -0.09 0.78 -0.57 0.00 0.00 179.45 180.35 1a3n h GLY 57 N 0.94 0.53 1.11 3.86 0.00 -0.72 -1.71 103.07 107.08 1a3n h GLY 57 Ca 0.24 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 1a3n h GLY 57 CO -0.04 0.42 -0.04 0.84 0.00 0.00 0.00 176.54 177.72 1a3n h HIS 58 N 0.22 1.15 -0.56 5.60 -0.00 -0.93 -1.64 115.15 119.00 1a3n h HIS 58 Ca 0.06 -0.21 0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1a3n h HIS 58 Cb 0.57 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.62 1a3n h HIS 58 CO 0.06 1.03 0.24 0.78 -0.00 0.00 0.00 177.93 180.04 1a3n h GLY 59 N 0.97 0.78 1.01 5.26 0.00 -0.31 -0.86 103.07 109.92 1a3n h GLY 59 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1a3n h GLY 59 CO 0.04 0.04 0.36 1.70 0.00 0.00 0.00 176.54 178.68 1a3n h LYS 60 N 0.44 1.04 -0.44 4.80 3.64 -1.02 -0.31 116.57 124.72 1a3n h LYS 60 Ca 0.27 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1a3n h LYS 60 Cb 0.26 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1a3n h LYS 60 CO -0.24 0.81 0.23 0.87 -2.27 0.00 0.00 179.45 178.85 1a3n h LYS 61 N 1.02 0.62 -0.19 1.90 1.57 -0.30 0.79 116.57 121.98 1a3n h LYS 61 Ca 0.25 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1a3n h LYS 61 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1a3n h LYS 61 CO -0.03 0.51 0.08 0.28 -0.57 0.00 0.00 179.45 179.72 1a3n h VAL 62 N 0.57 1.15 -0.39 0.50 2.07 -1.03 -1.11 116.25 118.00 1a3n h VAL 62 Ca 0.15 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1a3n h VAL 62 Cb 0.07 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1a3n h VAL 62 CO -0.02 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 177.55 1a3n h ALA 63 N 0.94 0.98 -0.12 1.67 0.00 -0.88 -1.87 119.26 119.98 1a3n h ALA 63 Ca 0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1a3n h ALA 63 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a3n h ALA 63 CO -0.01 0.60 -0.38 -0.44 0.00 0.00 0.00 179.25 179.02 1a3n h ASP 64 N 0.65 0.27 -0.64 0.00 3.32 -0.67 -0.69 116.42 118.66 1a3n h ASP 64 Ca 0.10 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1a3n h ASP 64 Cb 0.64 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1a3n h ASP 64 CO 0.04 0.63 0.07 0.00 -1.72 0.00 0.00 179.24 178.27 1a3n h ALA 65 N 1.38 0.89 -0.50 3.45 0.00 -0.90 -1.31 119.26 122.27 1a3n h ALA 65 Ca 0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1a3n h ALA 65 Cb 0.78 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1a3n h ALA 65 CO 0.06 0.67 -0.05 -0.07 0.00 0.00 0.00 179.25 179.86 1a3n h LEU 66 N 1.01 0.86 -0.48 0.00 3.38 -0.81 0.32 115.31 119.60 1a3n h LEU 66 Ca 0.19 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1a3n h LEU 66 Cb 0.48 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1a3n h LEU 66 CO 0.02 0.95 0.27 0.74 0.09 0.00 0.00 178.44 180.50 1a3n h THR 67 N 0.80 1.00 -0.20 0.22 2.02 -0.77 0.24 112.91 116.22 1a3n h THR 67 Ca 0.14 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1a3n h THR 67 Cb 0.55 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1a3n h THR 67 CO 0.03 0.10 0.01 -1.13 0.37 0.00 0.00 175.52 174.90 1a3n h ASN 68 N 0.53 -0.05 -0.69 4.18 -1.24 -0.85 -0.88 115.58 116.57 1a3n h ASN 68 Ca 0.20 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 1a3n h ASN 68 Cb 0.07 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 1a3n h ASN 68 CO -0.12 -0.00 0.39 0.00 -1.29 0.00 0.00 177.43 176.41 1a3n h ALA 69 N 1.16 0.89 -0.59 1.57 0.00 -0.25 -1.53 119.26 120.50 1a3n h ALA 69 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a3n h ALA 69 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1a3n h ALA 69 CO -0.15 0.39 0.30 0.28 0.00 0.00 0.00 179.25 180.08 1a3n h VAL 70 N 0.95 1.20 0.00 0.00 2.07 -0.16 -0.30 116.25 120.01 1a3n h VAL 70 Ca 0.24 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1a3n h VAL 70 Cb 0.03 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1a3n h VAL 70 CO -0.04 0.23 -0.12 0.00 0.02 0.00 0.00 177.57 177.66 1a3n h ALA 71 N 1.13 1.61 -0.65 1.67 0.00 -0.93 -2.81 119.26 119.29 1a3n h ALA 71 Ca 0.21 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.54 1a3n h ALA 71 Cb 0.08 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.46 1a3n h ALA 71 CO -0.03 0.15 -0.83 0.72 0.00 0.00 0.00 179.25 179.26 1a3n n HIS 72 N -4.12 2.35 0.27 0.00 8.25 -0.60 -4.89 115.22 116.48 1a3n n HIS 72 Ca -0.02 -2.14 0.18 0.00 -0.26 0.00 0.00 57.72 55.48 1a3n n HIS 72 Cb 0.20 -0.32 0.92 0.00 1.12 0.00 0.00 29.99 31.91 1a3n n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a3n h VAL 73 N 2.53 0.22 0.00 1.59 3.04 -0.78 -1.17 116.25 121.68 1a3n h VAL 73 Ca 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1a3n h VAL 73 Cb 1.47 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1a3n h VAL 73 CO 0.63 0.00 -0.02 0.47 -1.01 0.00 0.00 177.57 177.64 1a3n n ASP 74 N -3.37 0.29 -3.05 3.17 8.00 -1.26 -4.19 116.55 116.13 1a3n n ASP 74 Ca -0.00 0.50 -0.17 0.00 0.71 0.00 0.00 54.79 55.83 1a3n n ASP 74 Cb 0.28 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1a3n n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a3n n ASP 75 N -1.75 -0.35 -0.20 -2.24 -0.08 -0.45 -5.00 116.55 106.48 1a3n n ASP 75 Ca 0.06 -3.10 -0.09 0.00 -1.51 0.00 0.00 54.79 50.15 1a3n n ASP 75 Cb 0.37 0.14 0.02 0.00 2.34 0.00 0.00 41.12 43.99 1a3n n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1a3n h MET 76 N 3.35 0.93 -0.60 -0.67 2.86 -1.70 -2.14 114.93 116.96 1a3n h MET 76 Ca 0.03 -0.26 0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1a3n h MET 76 Cb 0.98 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.43 1a3n h MET 76 CO 0.40 0.90 -0.04 -1.35 1.06 0.00 0.00 176.91 177.88 1a3n h PRO 77 N 0.82 0.08 -0.18 -0.22 0.11 -1.94 0.69 132.00 131.37 1a3n h PRO 77 Ca 0.17 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 1a3n h PRO 77 Cb 0.43 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1a3n h PRO 77 CO 0.01 0.05 -0.71 -0.91 -0.21 0.00 0.00 178.00 176.24 1a3n h ASN 78 N 0.08 0.89 0.38 -2.05 4.21 -1.93 -2.59 115.58 114.58 1a3n h ASN 78 Ca 0.31 -0.55 -0.08 0.00 1.21 0.00 0.00 56.30 57.19 1a3n h ASN 78 Cb 0.49 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1a3n h ASN 78 CO -0.54 1.34 -0.36 0.00 -1.29 0.00 0.00 177.43 176.58 1a3n h ALA 79 N 0.65 1.37 -0.50 -0.83 0.00 -0.70 -2.85 119.26 116.40 1a3n h ALA 79 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a3n h ALA 79 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a3n h ALA 79 CO 0.15 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1a3n n LEU 80 N -4.07 4.43 -0.18 0.00 4.77 0.17 -4.69 117.00 117.43 1a3n n LEU 80 Ca -0.02 -2.59 -0.01 0.00 -0.03 0.00 0.00 56.01 53.36 1a3n n LEU 80 Cb 0.40 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1a3n n LEU 80 CO 0.39 0.74 0.94 -1.28 -1.33 0.00 0.00 177.39 176.85 1a3n h SER 81 N 3.22 0.10 -0.14 -1.43 0.87 -1.21 0.19 113.55 115.15 1a3n h SER 81 Ca 0.00 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1a3n h SER 81 Cb 1.42 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 1a3n h SER 81 CO 0.23 0.07 -0.19 0.00 -0.53 0.00 0.00 176.83 176.41 1a3n h ALA 82 N 1.41 1.10 -0.03 6.23 0.00 -1.84 -1.40 119.26 124.74 1a3n h ALA 82 Ca 0.28 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1a3n h ALA 82 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a3n h ALA 82 CO -0.33 0.56 -0.71 1.25 0.00 0.00 0.00 179.25 180.02 1a3n h LEU 83 N 0.50 0.18 -0.57 0.00 5.85 -1.70 -1.01 115.31 118.56 1a3n h LEU 83 Ca 0.08 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1a3n h LEU 83 Cb 0.62 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1a3n h LEU 83 CO 0.04 0.83 -0.51 0.77 -0.34 0.00 0.00 178.44 179.23 1a3n h SER 84 N 0.10 0.60 -0.47 1.25 4.64 -0.39 -1.57 113.55 117.71 1a3n h SER 84 Ca -0.02 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1a3n h SER 84 Cb 1.25 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1a3n h SER 84 CO 0.10 1.00 0.18 0.44 -0.87 0.00 0.00 176.83 177.69 1a3n h ASP 85 N 0.43 0.65 -0.52 4.97 3.32 -1.00 -1.38 116.42 122.89 1a3n h ASP 85 Ca 0.02 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1a3n h ASP 85 Cb 1.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1a3n h ASP 85 CO 0.10 0.65 0.29 0.25 -1.72 0.00 0.00 179.24 178.80 1a3n h LEU 86 N 0.61 0.64 -0.24 1.55 5.85 -1.01 -0.12 115.31 122.59 1a3n h LEU 86 Ca 0.15 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1a3n h LEU 86 Cb 0.21 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1a3n h LEU 86 CO -0.01 0.54 -0.34 0.45 -0.34 0.00 0.00 178.44 178.74 1a3n h HIS 87 N 0.69 0.80 -0.52 1.25 3.86 -1.22 -0.76 115.15 119.25 1a3n h HIS 87 Ca 0.18 -0.27 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 1a3n h HIS 87 Cb 0.03 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1a3n h HIS 87 CO -0.02 1.01 -0.15 0.00 0.86 0.00 0.00 177.93 179.63 1a3n h ALA 88 N 0.65 0.73 0.00 2.45 0.00 -1.11 0.34 119.26 122.32 1a3n h ALA 88 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1a3n h ALA 88 Cb 0.92 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1a3n h ALA 88 CO 0.08 0.68 -2.09 0.72 0.00 0.00 0.00 179.25 178.63 1a3n n HIS 89 N -4.13 0.00 0.03 0.00 8.25 -0.07 -4.59 115.22 114.71 1a3n n HIS 89 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1a3n n HIS 89 Cb 0.43 -0.63 -0.00 0.00 1.12 0.00 0.00 29.99 30.91 1a3n n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a3n n LYS 90 N -2.39 0.04 -0.07 -0.41 4.76 -0.65 -4.86 118.16 114.59 1a3n n LYS 90 Ca -0.12 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 1a3n n LYS 90 Cb 0.73 -0.47 -0.04 0.00 -1.84 0.00 0.00 35.03 33.42 1a3n n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a3n h LEU 91 N -0.07 0.31 -1.30 -0.35 3.38 -1.28 -3.47 115.31 112.53 1a3n h LEU 91 Ca 0.00 -0.16 -0.42 0.00 0.09 0.00 0.00 57.88 57.40 1a3n h LEU 91 Cb 0.07 -0.08 0.06 0.00 0.09 0.00 0.00 40.66 40.81 1a3n h LEU 91 CO 0.00 0.38 -0.77 0.54 0.09 0.00 0.00 178.44 178.69 1a3n n ARG 92 N -4.81 -6.06 -2.32 1.13 1.74 0.12 -4.93 116.66 101.53 1a3n n ARG 92 Ca -0.03 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 1a3n n ARG 92 Cb 0.12 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 25.99 1a3n n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a3n s VAL 93 N -3.43 3.73 0.27 1.55 1.01 -1.26 -4.94 120.40 117.33 1a3n s VAL 93 Ca 0.34 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.27 1a3n s VAL 93 Cb -0.16 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 1a3n s VAL 93 CO 0.79 0.10 1.47 -0.67 0.00 0.00 0.00 175.10 176.78 1a3n n ASP 94 N 3.88 3.14 0.01 3.32 -0.08 -1.26 -4.84 116.55 120.72 1a3n n ASP 94 Ca 0.10 1.15 0.22 0.00 -1.51 0.00 0.00 54.79 54.74 1a3n n ASP 94 Cb 0.45 -1.49 0.72 0.00 2.34 0.00 0.00 41.12 43.14 1a3n n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a3n h PRO 95 N 4.30 0.00 -0.14 -0.67 0.11 -2.00 -1.62 132.00 131.99 1a3n h PRO 95 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1a3n h PRO 95 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1a3n h PRO 95 CO 0.76 0.00 0.12 -0.39 -0.21 0.00 0.00 178.00 178.28 1a3n h VAL 96 N 0.00 0.73 0.00 3.15 -1.51 -2.04 -2.46 116.25 114.12 1a3n h VAL 96 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1a3n h VAL 96 Cb 1.13 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1a3n h VAL 96 CO -0.00 0.00 0.00 0.78 -1.23 0.00 0.00 177.57 177.12 1a3n h ASN 97 N 0.00 0.00 -0.06 4.19 2.35 -1.65 -3.07 115.58 117.35 1a3n h ASN 97 Ca 0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1a3n h ASN 97 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1a3n h ASN 97 CO -0.00 0.00 -0.20 -0.26 -1.65 0.00 0.00 177.43 175.32 1a3n h PHE 98 N 0.00 0.50 -0.26 1.19 -1.00 -1.61 -1.80 116.94 113.95 1a3n h PHE 98 Ca 0.00 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1a3n h PHE 98 Cb 0.59 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1a3n h PHE 98 CO 0.00 0.63 -0.21 0.87 -1.61 0.00 0.00 178.31 177.99 1a3n h LYS 99 N 0.41 0.47 -0.05 1.51 1.57 -1.70 -0.37 116.57 118.40 1a3n h LYS 99 Ca 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1a3n h LYS 99 Cb 0.59 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1a3n h LYS 99 CO 0.04 0.65 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.49 1a3n h LEU 100 N 0.42 0.10 -0.78 2.94 3.38 -1.49 -0.86 115.31 119.02 1a3n h LEU 100 Ca 0.07 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1a3n h LEU 100 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1a3n h LEU 100 CO 0.04 0.45 -0.03 0.25 0.09 0.00 0.00 178.44 179.24 1a3n h LEU 101 N -0.24 0.87 -0.60 1.67 5.85 -1.33 -2.18 115.31 119.35 1a3n h LEU 101 Ca 0.01 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1a3n h LEU 101 Cb 0.40 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1a3n h LEU 101 CO 0.01 0.95 0.37 0.28 -0.34 0.00 0.00 178.44 179.70 1a3n h SER 102 N 0.82 0.61 -0.45 1.25 0.02 -0.97 0.11 113.55 114.94 1a3n h SER 102 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1a3n h SER 102 Cb 0.53 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1a3n h SER 102 CO 0.03 0.43 0.30 -0.74 -1.14 0.00 0.00 176.83 175.70 1a3n h HIS 103 N 0.73 0.56 -0.13 3.45 -0.00 -1.01 -0.62 115.15 118.14 1a3n h HIS 103 Ca 0.24 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.55 1a3n h HIS 103 Cb 0.01 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1a3n h HIS 103 CO -0.05 0.36 -0.26 0.00 -0.00 0.00 0.00 177.93 177.98 1a3n h LEU 105 N 0.21 0.97 -0.91 0.00 3.38 -0.43 -1.33 115.31 117.20 1a3n h LEU 105 Ca 0.03 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1a3n h LEU 105 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1a3n h LEU 105 CO 0.04 1.13 0.36 0.25 0.09 0.00 0.00 178.44 180.30 1a3n h LEU 106 N 0.80 1.04 -0.71 1.67 5.85 -0.67 -0.86 115.31 122.44 1a3n h LEU 106 Ca 0.11 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1a3n h LEU 106 Cb 0.73 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1a3n h LEU 106 CO 0.06 0.90 0.00 0.58 -0.34 0.00 0.00 178.44 179.64 1a3n h VAL 107 N 1.13 1.26 -0.24 1.05 2.07 -1.06 -0.93 116.25 119.53 1a3n h VAL 107 Ca 0.27 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1a3n h VAL 107 Cb 0.15 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1a3n h VAL 107 CO -0.03 0.40 0.16 0.74 0.02 0.00 0.00 177.57 178.86 1a3n h THR 108 N 0.92 1.06 -0.80 2.57 2.02 -0.76 0.09 112.91 118.01 1a3n h THR 108 Ca 0.17 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1a3n h THR 108 Cb 0.53 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1a3n h THR 108 CO 0.03 0.06 0.32 -0.07 0.37 0.00 0.00 175.52 176.22 1a3n h LEU 109 N 0.32 1.11 -0.73 2.58 3.38 -0.95 -1.55 115.31 119.47 1a3n h LEU 109 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1a3n h LEU 109 Cb -0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1a3n h LEU 109 CO -0.02 0.98 0.40 0.00 0.09 0.00 0.00 178.44 179.89 1a3n h ALA 110 N 1.17 0.93 0.00 1.53 0.00 -0.74 0.24 119.26 122.39 1a3n h ALA 110 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a3n h ALA 110 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a3n h ALA 110 CO -0.02 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.62 1a3n h ALA 111 N 1.20 1.01 -0.00 0.00 0.00 -0.64 -3.27 119.26 117.56 1a3n h ALA 111 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a3n h ALA 111 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a3n h ALA 111 CO -0.04 0.06 -0.32 0.72 0.00 0.00 0.00 179.25 179.67 1a3n n HIS 112 N -3.16 0.00 -3.32 0.00 -0.00 -0.61 -4.80 115.22 103.33 1a3n n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1a3n n HIS 112 Cb 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 1a3n n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a3n n LEU 113 N -1.04 3.11 -0.28 2.41 4.77 0.78 -4.93 117.00 121.82 1a3n n LEU 113 Ca 0.02 -5.32 -0.01 0.00 -0.03 0.00 0.00 56.01 50.66 1a3n n LEU 113 Cb 0.12 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1a3n n LEU 113 CO 0.14 2.10 1.17 1.55 -1.33 0.00 0.00 177.39 181.03 1a3n h PRO 114 N 3.98 0.91 -0.07 3.23 0.13 -1.83 -1.07 132.00 137.28 1a3n h PRO 114 Ca 0.17 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 1a3n h PRO 114 Cb 0.69 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1a3n h PRO 114 CO 0.76 0.60 -0.71 0.00 -0.23 0.00 0.00 178.00 178.43 1a3n h ALA 115 N 1.35 0.66 0.00 -0.56 0.00 -1.95 -3.35 119.26 115.42 1a3n h ALA 115 Ca 0.33 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1a3n h ALA 115 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a3n h ALA 115 CO -0.14 0.77 -1.10 0.93 0.00 0.00 0.00 179.25 179.71 1a3n h GLU 116 N 0.23 0.00 -3.62 0.00 3.07 -1.90 -3.42 114.58 108.94 1a3n h GLU 116 Ca -0.02 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.13 1a3n h GLU 116 Cb 1.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 1a3n h GLU 116 CO 0.12 0.07 3.21 0.34 -1.40 0.00 0.00 179.01 181.35 1a3n n PHE 117 N -2.73 3.14 -1.82 4.33 7.35 -0.43 -4.75 117.46 122.54 1a3n n PHE 117 Ca -0.02 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1a3n n PHE 117 Cb 0.62 -2.46 0.11 0.00 0.35 0.00 0.00 39.48 38.10 1a3n n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a3n s THR 118 N 2.49 2.00 0.17 -2.13 -4.23 -1.26 -4.76 115.64 107.91 1a3n s THR 118 Ca 0.53 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1a3n s THR 118 Cb 0.15 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 71.09 1a3n s THR 118 CO -0.07 0.00 1.78 -0.65 -0.54 0.00 0.00 174.62 175.14 1a3n h PRO 119 N -1.20 0.43 -0.69 3.99 0.11 -1.99 0.16 132.00 132.82 1a3n h PRO 119 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a3n h PRO 119 Cb 1.32 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1a3n h PRO 119 CO 0.63 0.28 0.42 0.00 -0.21 0.00 0.00 178.00 179.12 1a3n h ALA 120 N 1.24 0.88 -0.37 -0.75 0.00 -1.97 -1.30 119.26 116.99 1a3n h ALA 120 Ca 0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1a3n h ALA 120 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a3n h ALA 120 CO -0.14 0.35 -0.39 0.28 0.00 0.00 0.00 179.25 179.35 1a3n h VAL 121 N 0.94 1.27 -0.47 0.00 2.07 -1.68 -1.45 116.25 116.93 1a3n h VAL 121 Ca 0.25 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1a3n h VAL 121 Cb -0.03 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1a3n h VAL 121 CO -0.05 0.52 0.20 -0.74 0.02 0.00 0.00 177.57 177.52 1a3n h HIS 122 N 0.73 0.35 -0.40 1.57 6.17 -0.53 0.17 115.15 123.21 1a3n h HIS 122 Ca 0.06 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.13 1a3n h HIS 122 Cb 0.98 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.81 1a3n h HIS 122 CO 0.07 0.15 0.15 0.00 0.71 0.00 0.00 177.93 179.00 1a3n h ALA 123 N 1.29 0.53 -0.55 5.26 0.00 -0.96 -1.12 119.26 123.71 1a3n h ALA 123 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a3n h ALA 123 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a3n h ALA 123 CO -0.19 0.14 0.34 0.77 0.00 0.00 0.00 179.25 180.30 1a3n h SER 124 N 0.51 0.66 -0.69 0.00 0.02 -0.77 -0.83 113.55 112.46 1a3n h SER 124 Ca 0.13 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1a3n h SER 124 Cb 0.21 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1a3n h SER 124 CO -0.01 0.52 0.25 -0.07 -1.14 0.00 0.00 176.83 176.39 1a3n h LEU 125 N 0.74 0.96 -0.65 5.07 3.38 -0.57 0.56 115.31 124.81 1a3n h LEU 125 Ca 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1a3n h LEU 125 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1a3n h LEU 125 CO -0.04 0.89 0.25 -0.78 0.09 0.00 0.00 178.44 178.85 1a3n h ASP 126 N 0.98 0.90 -0.46 -0.43 3.58 -0.79 -1.19 116.42 119.02 1a3n h ASP 126 Ca 0.23 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1a3n h ASP 126 Cb 0.24 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1a3n h ASP 126 CO -0.01 0.84 0.04 0.11 -2.88 0.00 0.00 179.24 177.33 1a3n h LYS 127 N 0.92 0.79 -0.74 0.28 1.57 -0.95 -1.83 116.57 116.61 1a3n h LYS 127 Ca 0.22 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1a3n h LYS 127 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1a3n h LYS 127 CO -0.02 0.82 0.37 0.35 -0.57 0.00 0.00 179.45 180.40 1a3n h PHE 128 N 0.64 1.05 -0.09 -1.35 3.57 -0.59 -0.44 116.94 119.73 1a3n h PHE 128 Ca 0.14 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 1a3n h PHE 128 Cb 0.44 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1a3n h PHE 128 CO 0.03 0.77 -0.50 -0.07 -2.23 0.00 0.00 178.31 176.31 1a3n h LEU 129 N 1.03 0.26 -0.65 0.59 3.38 -1.13 0.15 115.31 118.95 1a3n h LEU 129 Ca 0.26 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1a3n h LEU 129 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1a3n h LEU 129 CO -0.03 0.72 -0.24 0.00 0.09 0.00 0.00 178.44 178.98 1a3n h ALA 130 N 1.29 0.83 -0.29 1.53 0.00 -1.03 -0.88 119.26 120.71 1a3n h ALA 130 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1a3n h ALA 130 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a3n h ALA 130 CO 0.08 0.64 -0.41 0.77 0.00 0.00 0.00 179.25 180.33 1a3n h SER 131 N 0.70 0.76 -0.41 0.00 0.02 -0.18 -0.76 113.55 113.67 1a3n h SER 131 Ca 0.09 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1a3n h SER 131 Cb 0.76 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1a3n h SER 131 CO 0.06 1.07 0.18 0.58 -1.14 0.00 0.00 176.83 177.59 1a3n h VAL 132 N 0.58 1.19 -0.86 2.27 2.07 -0.64 -1.42 116.25 119.43 1a3n h VAL 132 Ca 0.04 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1a3n h VAL 132 Cb 0.96 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1a3n h VAL 132 CO 0.09 0.20 0.56 0.28 0.02 0.00 0.00 177.57 178.72 1a3n h SER 133 N 0.53 0.95 -0.20 0.57 0.02 -0.93 0.49 113.55 114.99 1a3n h SER 133 Ca 0.14 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1a3n h SER 133 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1a3n h SER 133 CO -0.02 0.68 0.12 0.74 -1.14 0.00 0.00 176.83 177.21 1a3n h THR 134 N 1.12 1.08 -0.47 -2.27 2.02 -0.81 -1.98 112.91 111.61 1a3n h THR 134 Ca 0.33 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1a3n h THR 134 Cb -0.07 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1a3n h THR 134 CO -0.09 0.08 0.30 0.58 0.37 0.00 0.00 175.52 176.76 1a3n h VAL 135 N 0.23 1.13 0.00 3.16 2.07 -0.77 -0.77 116.25 121.30 1a3n h VAL 135 Ca 0.07 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1a3n h VAL 135 Cb 0.03 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1a3n h VAL 135 CO -0.01 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1a3n h LEU 136 N 0.63 0.00 -2.11 2.57 3.38 -0.60 -2.35 115.31 116.84 1a3n h LEU 136 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1a3n h LEU 136 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1a3n h LEU 136 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 1a3n n THR 137 N -2.99 0.41 0.32 0.22 -2.24 -0.77 -4.47 114.28 104.75 1a3n n THR 137 Ca -0.01 -0.71 0.20 0.00 -2.27 0.00 0.00 64.05 61.27 1a3n n THR 137 Cb 0.19 0.98 1.05 0.00 -2.10 0.00 0.00 70.33 70.45 1a3n n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a3n h SER 138 N 2.93 0.00 -0.31 3.42 4.64 -0.58 -2.84 113.55 120.81 1a3n h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a3n h SER 138 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1a3n h SER 138 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1a3n n LYS 139 N -3.19 2.88 0.23 4.77 5.02 -1.26 -4.66 118.16 121.95 1a3n n LYS 139 Ca -0.02 -2.16 0.10 0.00 -2.02 0.00 0.00 58.31 54.20 1a3n n LYS 139 Cb 0.13 -1.36 0.65 0.00 -0.02 0.00 0.00 35.03 34.44 1a3n n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a3n h TYR 140 N 1.87 0.00 0.00 2.13 -1.99 -1.81 -3.46 116.97 113.71 1a3n h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a3n h TYR 140 Cb 0.84 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.57 1a3n h TYR 140 CO 0.26 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.31