#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bab s GLU 2 N 0.00 0.70 -0.00 2.12 2.12 -1.26 -4.97 118.70 117.41 1bab s GLU 2 Ca 0.00 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1bab s GLU 2 Cb 0.00 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 1bab s GLU 2 CO 0.00 0.18 1.23 -0.51 -0.54 0.00 0.00 175.26 175.62 1bab s LEU 3 N -0.26 4.32 0.92 2.70 1.02 -1.26 -5.02 118.68 121.10 1bab s LEU 3 Ca 0.03 1.93 -0.12 0.00 0.02 0.00 0.00 54.13 55.99 1bab s LEU 3 Cb -0.04 -3.57 0.14 0.00 0.02 0.00 0.00 46.19 42.75 1bab s LEU 3 CO -0.00 -0.56 1.13 -0.94 0.02 0.00 0.00 176.35 176.00 1bab s SER 4 N 1.37 3.42 0.22 2.29 1.04 -1.26 -4.84 113.70 115.94 1bab s SER 4 Ca 0.58 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 1bab s SER 4 Cb -0.27 -1.58 0.22 0.00 0.10 0.00 0.00 66.02 64.48 1bab s SER 4 CO 0.25 -2.61 1.69 -0.65 0.98 0.00 0.00 173.24 172.90 1bab h PRO 5 N -1.54 0.87 -0.54 4.02 0.11 -1.99 -0.11 132.00 132.81 1bab h PRO 5 Ca -0.51 -0.28 -0.08 0.00 0.11 0.00 0.00 66.00 65.24 1bab h PRO 5 Cb 1.33 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1bab h PRO 5 CO 0.61 0.91 0.00 0.00 -0.21 0.00 0.00 178.00 179.31 1bab h ALA 6 N 1.13 0.99 -0.36 -0.75 0.00 -1.99 -1.11 119.26 117.17 1bab h ALA 6 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1bab h ALA 6 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1bab h ALA 6 CO 0.03 0.62 0.16 -0.44 0.00 0.00 0.00 179.25 179.63 1bab h ASP 7 N 0.85 0.23 -0.61 0.00 3.32 -1.72 0.59 116.42 119.08 1bab h ASP 7 Ca 0.16 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1bab h ASP 7 Cb 0.50 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1bab h ASP 7 CO 0.02 0.17 0.38 0.11 -1.72 0.00 0.00 179.24 178.20 1bab h LYS 8 N 0.34 0.83 -0.44 3.56 1.57 -0.51 -0.55 116.57 121.38 1bab h LYS 8 Ca 0.15 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1bab h LYS 8 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1bab h LYS 8 CO -0.12 0.58 0.11 1.15 -0.57 0.00 0.00 179.45 180.60 1bab h THR 9 N 0.85 1.23 -0.19 -0.16 2.02 -0.44 -1.42 112.91 114.81 1bab h THR 9 Ca 0.22 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1bab h THR 9 Cb -0.04 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1bab h THR 9 CO -0.04 0.29 0.12 0.78 0.37 0.00 0.00 175.52 177.04 1bab h ASN 10 N 0.58 0.21 -0.08 4.18 2.35 -0.26 -2.00 115.58 120.56 1bab h ASN 10 Ca 0.14 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1bab h ASN 10 Cb 0.32 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1bab h ASN 10 CO 0.00 0.15 0.05 0.58 -1.65 0.00 0.00 177.43 176.56 1bab h VAL 11 N 0.25 1.05 -0.34 2.81 2.07 -1.01 -1.64 116.25 119.45 1bab h VAL 11 Ca 0.07 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1bab h VAL 11 Cb -0.03 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1bab h VAL 11 CO -0.02 0.05 0.14 0.11 0.02 0.00 0.00 177.57 177.87 1bab h LYS 12 N 0.07 0.47 0.07 1.57 1.57 -1.17 0.21 116.57 119.36 1bab h LYS 12 Ca 0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bab h LYS 12 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1bab h LYS 12 CO -0.01 0.39 -0.03 0.00 -0.57 0.00 0.00 179.45 179.23 1bab h ALA 13 N 1.69 -0.09 -0.37 3.86 0.00 -1.19 -1.30 119.26 121.86 1bab h ALA 13 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1bab h ALA 13 Cb 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bab h ALA 13 CO -0.01 -0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.15 1bab h ALA 14 N 0.23 0.48 -0.50 0.00 0.00 -1.02 -2.07 119.26 116.37 1bab h ALA 14 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1bab h ALA 14 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1bab h ALA 14 CO 0.02 0.02 0.10 2.35 0.00 0.00 0.00 179.25 181.73 1bab h TRP 15 N 0.47 0.79 -0.64 0.00 2.91 -0.63 -2.28 115.95 116.56 1bab h TRP 15 Ca 0.13 -0.07 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1bab h TRP 15 Cb 0.08 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 28.45 1bab h TRP 15 CO -0.02 0.68 0.37 0.78 -1.03 0.00 0.00 178.44 179.22 1bab h GLY 16 N 0.94 0.93 1.79 2.65 0.00 -0.89 -0.31 103.07 108.17 1bab h GLY 16 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1bab h GLY 16 CO 0.00 0.20 -0.11 1.70 0.00 0.00 0.00 176.54 178.32 1bab h LYS 17 N 0.71 0.27 0.16 4.80 3.11 -0.84 -2.64 116.57 122.13 1bab h LYS 17 Ca 0.28 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1bab h LYS 17 Cb 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1bab h LYS 17 CO -0.15 0.39 -0.08 0.28 -2.81 0.00 0.00 179.45 177.09 1bab h VAL 18 N 0.26 0.84 0.00 2.00 2.07 -0.57 -3.45 116.25 117.39 1bab h VAL 18 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1bab h VAL 18 Cb 0.36 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1bab h VAL 18 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1bab n GLY 19 N -1.19 3.83 0.04 2.17 0.00 -0.74 -1.87 105.19 107.45 1bab n GLY 19 Ca -0.08 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1bab n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bab n ALA 20 N 12.26 1.95 1.41 4.61 0.00 -1.26 -2.78 120.51 136.71 1bab n ALA 20 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1bab n ALA 20 Cb 0.00 -1.37 0.48 0.00 0.00 0.00 0.00 19.45 18.56 1bab n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bab n HIS 21 N -1.77 0.08 -0.18 0.00 -0.00 -0.78 -4.48 115.22 108.09 1bab n HIS 21 Ca 0.05 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1bab n HIS 21 Cb 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.29 1bab n HIS 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bab h ALA 22 N 4.22 0.13 -0.85 -1.41 0.00 -1.67 0.22 119.26 119.90 1bab h ALA 22 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1bab h ALA 22 Cb 0.47 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1bab h ALA 22 CO 0.00 -0.57 0.45 0.78 0.00 0.00 0.00 179.25 179.91 1bab h GLY 23 N -0.11 1.28 1.26 0.00 0.00 -1.84 0.15 103.07 103.80 1bab h GLY 23 Ca 0.24 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1bab h GLY 23 CO -0.61 0.56 -0.31 -2.09 0.00 0.00 0.00 176.54 174.09 1bab h GLU 24 N 1.19 0.83 -0.52 4.80 4.81 -1.68 -2.26 114.58 121.76 1bab h GLU 24 Ca 0.30 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1bab h GLU 24 Cb 0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1bab h GLU 24 CO -0.05 1.02 -0.07 1.88 -0.73 0.00 0.00 179.01 181.06 1bab h TYR 25 N 0.70 1.03 -0.72 0.92 0.05 -0.55 -1.37 116.97 117.03 1bab h TYR 25 Ca 0.08 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1bab h TYR 25 Cb 0.85 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.29 1bab h TYR 25 CO 0.05 0.96 0.46 0.78 -1.05 0.00 0.00 178.16 179.35 1bab h GLY 26 N 0.97 1.03 1.00 3.88 0.00 -0.52 -0.07 103.07 109.36 1bab h GLY 26 Ca 0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1bab h GLY 26 CO 0.04 0.39 0.06 0.00 0.00 0.00 0.00 176.54 177.04 1bab h ALA 27 N 1.25 0.68 -0.39 3.60 0.00 -1.21 -2.07 119.26 121.12 1bab h ALA 27 Ca 0.26 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1bab h ALA 27 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1bab h ALA 27 CO -0.05 0.43 -0.25 1.49 0.00 0.00 0.00 179.25 180.87 1bab h GLU 28 N 0.73 0.80 -0.81 0.00 4.81 -0.90 -1.48 114.58 117.73 1bab h GLU 28 Ca 0.15 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1bab h GLU 28 Cb 0.43 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1bab h GLU 28 CO 0.01 0.96 0.48 0.00 -0.73 0.00 0.00 179.01 179.73 1bab h ALA 29 N 1.03 1.04 -0.33 2.92 0.00 -0.85 0.87 119.26 123.93 1bab h ALA 29 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bab h ALA 29 Cb 0.77 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bab h ALA 29 CO 0.06 0.52 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 1bab h LEU 30 N 1.12 0.51 -1.16 0.00 3.38 -1.12 -0.71 115.31 117.33 1bab h LEU 30 Ca 0.29 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1bab h LEU 30 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1bab h LEU 30 CO -0.05 0.62 0.54 -0.08 0.09 0.00 0.00 178.44 179.55 1bab h GLU 31 N 0.38 1.10 -0.65 1.13 4.81 -0.88 -0.49 114.58 119.98 1bab h GLU 31 Ca 0.10 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1bab h GLU 31 Cb 0.31 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1bab h GLU 31 CO 0.00 0.74 0.31 0.00 -0.73 0.00 0.00 179.01 179.33 1bab h ARG 32 N 1.13 0.94 -0.22 1.92 3.08 -0.56 -2.09 114.38 118.58 1bab h ARG 32 Ca 0.30 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1bab h ARG 32 Cb -0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 1bab h ARG 32 CO -0.06 0.75 0.11 1.98 -1.07 0.00 0.00 179.97 181.68 1bab h MET 33 N 0.90 0.31 -0.54 0.04 4.05 -0.53 0.83 114.93 119.99 1bab h MET 33 Ca 0.22 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1bab h MET 33 Cb 0.13 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1bab h MET 33 CO -0.03 0.31 0.30 0.74 0.23 0.00 0.00 176.91 178.47 1bab h PHE 34 N 0.23 0.72 0.23 1.39 0.04 -0.97 0.81 116.94 119.39 1bab h PHE 34 Ca 0.08 -0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.51 1bab h PHE 34 Cb 0.10 -0.23 0.03 0.00 2.20 0.00 0.00 35.95 38.05 1bab h PHE 34 CO -0.03 0.50 -1.54 -0.07 -0.60 0.00 0.00 178.31 176.56 1bab h LEU 35 N 0.75 0.77 -0.16 1.54 3.38 -1.22 -3.29 115.31 117.08 1bab h LEU 35 Ca 0.19 -0.93 -0.23 0.00 0.09 0.00 0.00 57.88 57.01 1bab h LEU 35 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1bab h LEU 35 CO -0.03 1.73 -0.96 0.28 0.09 0.00 0.00 178.44 179.55 1bab h SER 36 N 0.11 0.54 -2.53 -0.43 0.02 -0.67 -3.39 113.55 107.20 1bab h SER 36 Ca -0.28 -0.44 -0.60 0.00 -0.84 0.00 0.00 61.79 59.63 1bab h SER 36 Cb 2.13 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 64.11 1bab h SER 36 CO 0.24 1.24 -0.79 0.49 -1.14 0.00 0.00 176.83 176.87 1bab n PHE 37 N -3.74 1.44 0.24 3.45 3.72 0.26 -4.98 117.46 117.85 1bab n PHE 37 Ca -0.07 -3.85 0.17 0.00 -0.05 0.00 0.00 57.45 53.65 1bab n PHE 37 Cb 0.84 -0.29 0.87 0.00 -0.94 0.00 0.00 39.48 39.97 1bab n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bab h PRO 38 N 5.03 0.00 0.00 -1.08 0.13 -1.73 -0.88 132.00 133.47 1bab h PRO 38 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1bab h PRO 38 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bab h PRO 38 CO 0.59 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.15 1bab h THR 39 N 0.00 0.00 0.00 1.56 1.35 -1.91 -1.18 112.91 112.73 1bab h THR 39 Ca 0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1bab h THR 39 Cb 0.37 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1bab h THR 39 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1bab h THR 40 N 0.00 0.00 0.00 6.82 1.35 -1.48 -2.24 112.91 117.36 1bab h THR 40 Ca 0.00 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1bab h THR 40 Cb 0.15 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1bab h THR 40 CO 0.00 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.36 1bab h LYS 41 N 0.00 0.00 0.00 4.72 1.57 -1.40 -2.60 116.57 118.87 1bab h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bab h LYS 41 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1bab h LYS 41 CO 0.00 0.02 0.00 1.79 -0.57 0.00 0.00 179.45 180.69 1bab h THR 42 N 0.00 0.00 -0.00 -0.16 1.35 -1.57 -0.68 112.91 111.85 1bab h THR 42 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1bab h THR 42 Cb 0.25 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1bab h THR 42 CO 0.00 0.00 -0.36 -1.22 -0.25 0.00 0.00 175.52 173.69 1bab n TYR 43 N -3.02 0.00 -2.38 4.73 4.01 -0.98 -4.35 117.16 115.18 1bab n TYR 43 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1bab n TYR 43 Cb 0.10 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1bab n TYR 43 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1bab n PHE 44 N -1.10 2.59 0.32 -0.72 3.01 -0.26 -4.85 117.46 116.45 1bab n PHE 44 Ca 0.09 -2.61 0.16 0.00 1.01 0.00 0.00 57.45 56.10 1bab n PHE 44 Cb 0.34 -0.24 0.65 0.00 -0.01 0.00 0.00 39.48 40.22 1bab n PHE 44 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bab h PRO 45 N 2.49 0.00 -0.10 -1.08 0.13 -1.76 -2.69 132.00 128.99 1bab h PRO 45 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1bab h PRO 45 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bab h PRO 45 CO 0.68 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.06 1bab n HIS 46 N -2.83 0.12 -4.18 1.56 1.44 -1.26 -4.89 115.22 105.18 1bab n HIS 46 Ca 0.01 -0.06 -0.28 0.00 -2.01 0.00 0.00 57.72 55.38 1bab n HIS 46 Cb 0.27 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 1bab n HIS 46 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bab s PHE 47 N -1.88 2.89 -0.41 -1.40 0.40 -1.02 -5.07 117.98 111.50 1bab s PHE 47 Ca 0.34 -0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 56.33 1bab s PHE 47 Cb 0.18 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.30 1bab s PHE 47 CO 0.28 0.50 0.86 0.34 0.70 0.00 0.00 175.22 177.90 1bab s ASP 48 N -2.69 6.54 -0.16 1.36 2.15 -1.26 -4.88 116.67 117.73 1bab s ASP 48 Ca 0.26 0.26 0.12 0.00 0.43 0.00 0.00 52.55 53.62 1bab s ASP 48 Cb -0.10 -2.43 0.62 0.00 -0.30 0.00 0.00 42.92 40.71 1bab s ASP 48 CO 0.18 -0.89 1.46 0.18 -0.17 0.00 0.00 175.17 175.93 1bab n LEU 49 N 6.78 4.47 -4.77 -1.34 4.77 -1.26 -4.46 117.00 121.18 1bab n LEU 49 Ca 0.05 -2.26 -0.34 0.00 -0.03 0.00 0.00 56.01 53.43 1bab n LEU 49 Cb 0.48 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1bab n LEU 49 CO 0.59 0.57 0.76 -0.94 -1.33 0.00 0.00 177.39 177.04 1bab s SER 50 N -0.65 5.19 0.14 -1.43 1.04 -1.26 -4.89 113.70 111.83 1bab s SER 50 Ca 0.42 2.08 -0.31 0.00 0.48 0.00 0.00 55.95 58.62 1bab s SER 50 Cb 0.31 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.76 1bab s SER 50 CO 0.14 -1.58 1.83 -2.28 0.98 0.00 0.00 173.24 172.33 1bab s HIS 51 N -2.15 2.22 0.00 5.02 2.46 -1.26 -1.70 115.29 119.87 1bab s HIS 51 Ca 0.69 0.00 0.00 0.00 0.47 0.00 0.00 55.06 56.22 1bab s HIS 51 Cb -0.22 -4.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 1bab s HIS 51 CO 0.38 -4.86 0.00 0.41 -2.47 0.00 0.00 174.74 168.20 1bab n GLY 52 N 4.22 0.52 3.71 1.59 0.00 -1.26 -5.04 105.19 108.93 1bab n GLY 52 Ca 0.18 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1bab n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bab n SER 53 N 0.41 2.19 0.18 1.61 3.41 -0.69 -4.82 113.62 115.91 1bab n SER 53 Ca 0.00 0.95 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1bab n SER 53 Cb 0.00 -1.52 0.47 0.00 -0.26 0.00 0.00 64.21 62.90 1bab n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bab h ALA 54 N 1.24 1.66 -0.33 7.33 0.00 -1.91 -1.26 119.26 125.99 1bab h ALA 54 Ca -0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1bab h ALA 54 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1bab h ALA 54 CO 0.56 0.25 0.08 1.96 0.00 0.00 0.00 179.25 182.10 1bab h GLN 55 N 0.12 0.52 -0.17 0.00 4.20 -1.90 0.23 115.11 118.11 1bab h GLN 55 Ca 0.03 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1bab h GLN 55 Cb 0.28 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1bab h GLN 55 CO 0.02 0.58 -0.00 0.28 -0.67 0.00 0.00 178.83 179.03 1bab h VAL 56 N 0.37 1.26 -0.59 -0.54 2.07 -1.72 -1.04 116.25 116.06 1bab h VAL 56 Ca 0.10 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1bab h VAL 56 Cb 0.29 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1bab h VAL 56 CO 0.00 0.26 0.36 0.11 0.02 0.00 0.00 177.57 178.32 1bab h LYS 57 N 0.05 0.70 -0.57 1.57 1.57 -1.16 0.44 116.57 119.18 1bab h LYS 57 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1bab h LYS 57 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1bab h LYS 57 CO 0.01 0.46 0.10 0.78 -0.57 0.00 0.00 179.45 180.24 1bab h GLY 58 N 0.72 1.01 0.97 3.86 0.00 -0.49 -1.80 103.07 107.34 1bab h GLY 58 Ca 0.23 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1bab h GLY 58 CO -0.09 0.62 0.10 0.84 0.00 0.00 0.00 176.54 178.01 1bab h HIS 59 N 0.83 0.80 -0.96 5.60 -0.00 -0.89 -1.76 115.15 118.77 1bab h HIS 59 Ca 0.17 -0.10 0.12 0.00 -0.00 0.00 0.00 60.37 60.56 1bab h HIS 59 Cb 0.40 -0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 27.50 1bab h HIS 59 CO 0.03 0.73 0.59 0.78 -0.00 0.00 0.00 177.93 180.07 1bab h GLY 60 N 0.64 1.57 1.13 5.26 0.00 0.08 0.10 103.07 111.85 1bab h GLY 60 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1bab h GLY 60 CO 0.00 0.14 -0.12 1.70 0.00 0.00 0.00 176.54 178.26 1bab h LYS 61 N 0.93 1.02 -0.57 4.80 3.64 -0.92 -1.53 116.57 123.94 1bab h LYS 61 Ca 0.48 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 1bab h LYS 61 Cb 0.49 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1bab h LYS 61 CO -0.27 1.07 -0.06 0.87 -2.27 0.00 0.00 179.45 178.78 1bab h LYS 62 N 0.90 1.05 -0.05 1.90 1.57 -0.35 -0.45 116.57 121.14 1bab h LYS 62 Ca 0.14 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1bab h LYS 62 Cb 0.68 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1bab h LYS 62 CO 0.05 1.06 0.03 0.28 -0.57 0.00 0.00 179.45 180.30 1bab h VAL 63 N 0.94 1.04 -0.81 0.50 2.07 -0.63 -1.85 116.25 117.49 1bab h VAL 63 Ca 0.15 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1bab h VAL 63 Cb 0.63 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1bab h VAL 63 CO 0.04 0.03 0.50 0.00 0.02 0.00 0.00 177.57 178.17 1bab h ALA 64 N 0.98 1.04 -0.73 1.67 0.00 -1.10 -1.67 119.26 119.45 1bab h ALA 64 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1bab h ALA 64 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1bab h ALA 64 CO -0.00 0.49 0.36 -0.44 0.00 0.00 0.00 179.25 179.65 1bab h ASP 65 N 1.11 0.95 -0.78 0.00 5.19 -0.96 0.13 116.42 122.06 1bab h ASP 65 Ca 0.29 -0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1bab h ASP 65 Cb -0.07 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.16 1bab h ASP 65 CO -0.06 0.81 0.34 0.00 -3.12 0.00 0.00 179.24 177.21 1bab h ALA 66 N 1.18 1.12 -0.59 3.45 0.00 -0.80 -1.20 119.26 122.43 1bab h ALA 66 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bab h ALA 66 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1bab h ALA 66 CO -0.03 0.64 0.23 -0.07 0.00 0.00 0.00 179.25 180.02 1bab h LEU 67 N 1.13 0.81 -0.70 0.00 4.07 -0.77 -0.70 115.31 119.15 1bab h LEU 67 Ca 0.27 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1bab h LEU 67 Cb 0.17 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1bab h LEU 67 CO -0.03 0.77 0.46 0.74 -1.08 0.00 0.00 178.44 179.30 1bab h THR 68 N 0.81 1.18 -0.45 0.22 2.02 -0.47 0.15 112.91 116.37 1bab h THR 68 Ca 0.19 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1bab h THR 68 Cb 0.21 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1bab h THR 68 CO -0.01 0.18 0.23 -1.13 0.37 0.00 0.00 175.52 175.15 1bab h ASN 69 N 0.95 0.33 -0.60 4.18 -1.24 -0.86 -1.09 115.58 117.25 1bab h ASN 69 Ca 0.26 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.23 1bab h ASN 69 Cb -0.10 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 1bab h ASN 69 CO -0.05 0.23 0.14 0.00 -1.29 0.00 0.00 177.43 176.46 1bab h ALA 70 N 1.24 1.05 -0.44 1.57 0.00 -0.39 -1.48 119.26 120.82 1bab h ALA 70 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1bab h ALA 70 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bab h ALA 70 CO -0.14 0.62 0.09 0.28 0.00 0.00 0.00 179.25 180.10 1bab h VAL 71 N 0.96 1.24 -0.09 0.00 2.07 -0.52 -0.58 116.25 119.32 1bab h VAL 71 Ca 0.20 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1bab h VAL 71 Cb 0.36 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1bab h VAL 71 CO 0.00 0.30 0.05 0.00 0.02 0.00 0.00 177.57 177.94 1bab h ALA 72 N 0.95 1.92 -0.81 1.67 0.00 -0.93 -2.92 119.26 119.14 1bab h ALA 72 Ca 0.14 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.53 1bab h ALA 72 Cb 0.35 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.69 1bab h ALA 72 CO 0.01 0.07 -0.87 0.72 0.00 0.00 0.00 179.25 179.17 1bab n HIS 73 N -4.52 2.54 0.15 0.00 8.25 -0.58 -4.85 115.22 116.22 1bab n HIS 73 Ca -0.02 -2.35 0.12 0.00 -0.26 0.00 0.00 57.72 55.21 1bab n HIS 73 Cb 0.09 -0.29 0.64 0.00 1.12 0.00 0.00 29.99 31.55 1bab n HIS 73 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1bab h VAL 74 N 2.83 0.92 0.00 1.59 3.04 -0.90 0.09 116.25 123.81 1bab h VAL 74 Ca 0.26 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1bab h VAL 74 Cb 1.40 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1bab h VAL 74 CO 0.67 0.01 0.00 0.44 -1.01 0.00 0.00 177.57 177.68 1bab h ASP 75 N 0.05 0.00 -1.50 3.17 3.32 -1.87 -3.34 116.42 116.24 1bab h ASP 75 Ca 0.10 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.70 1bab h ASP 75 Cb 0.33 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.55 1bab h ASP 75 CO -0.01 0.00 -0.99 -0.67 -1.72 0.00 0.00 179.24 175.86 1bab n ASP 76 N -2.77 -0.25 -0.22 6.45 2.03 -0.01 -4.99 116.55 116.80 1bab n ASP 76 Ca 0.02 -3.03 -0.08 0.00 0.52 0.00 0.00 54.79 52.22 1bab n ASP 76 Cb 0.32 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.75 1bab n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1bab h MET 77 N 3.45 0.97 -0.58 -0.67 2.86 -1.62 -1.90 114.93 117.44 1bab h MET 77 Ca 0.03 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1bab h MET 77 Cb 0.96 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.40 1bab h MET 77 CO 0.42 0.88 0.08 -1.35 1.06 0.00 0.00 176.91 177.99 1bab h PRO 78 N 0.89 0.19 -0.11 -0.22 0.11 -1.94 0.25 132.00 131.18 1bab h PRO 78 Ca 0.19 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.13 1bab h PRO 78 Cb 0.34 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1bab h PRO 78 CO -0.00 0.13 -0.56 -0.91 -0.21 0.00 0.00 178.00 176.44 1bab h ASN 79 N 0.20 0.68 -0.60 -2.05 4.21 -1.92 -2.67 115.58 113.43 1bab h ASN 79 Ca 0.30 -0.64 -0.01 0.00 1.21 0.00 0.00 56.30 57.16 1bab h ASN 79 Cb 0.47 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 1bab h ASN 79 CO -0.43 1.22 0.36 0.00 -1.29 0.00 0.00 177.43 177.28 1bab h ALA 80 N 0.48 1.47 -0.65 -0.83 0.00 -0.47 -2.69 119.26 116.56 1bab h ALA 80 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bab h ALA 80 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bab h ALA 80 CO 0.12 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.10 1bab n LEU 81 N -4.40 4.73 -0.18 0.00 4.77 0.80 -4.72 117.00 118.01 1bab n LEU 81 Ca 0.06 -2.43 -0.02 0.00 -0.03 0.00 0.00 56.01 53.59 1bab n LEU 81 Cb 0.08 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1bab n LEU 81 CO 0.37 0.83 0.75 -1.28 -1.33 0.00 0.00 177.39 176.72 1bab h SER 82 N 4.09 -0.54 -0.83 -1.43 0.87 -1.12 -0.14 113.55 114.44 1bab h SER 82 Ca 0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1bab h SER 82 Cb 1.43 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 63.70 1bab h SER 82 CO 0.22 -0.19 0.44 0.00 -0.53 0.00 0.00 176.83 176.77 1bab h ALA 83 N 1.52 1.20 -0.18 6.23 0.00 -1.84 -0.90 119.26 125.29 1bab h ALA 83 Ca 0.26 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1bab h ALA 83 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bab h ALA 83 CO -0.57 0.64 -0.55 1.25 0.00 0.00 0.00 179.25 180.01 1bab h LEU 84 N 1.18 0.61 -0.90 0.00 5.85 -1.65 -1.54 115.31 118.86 1bab h LEU 84 Ca 0.29 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1bab h LEU 84 Cb 0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1bab h LEU 84 CO -0.04 1.04 -0.32 0.77 -0.34 0.00 0.00 178.44 179.55 1bab h SER 85 N 0.42 0.45 -0.25 1.25 4.64 -0.73 -1.00 113.55 118.32 1bab h SER 85 Ca 0.01 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 1bab h SER 85 Cb 1.10 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1bab h SER 85 CO 0.10 0.74 -0.13 0.44 -0.87 0.00 0.00 176.83 177.12 1bab h ASP 86 N 0.38 0.54 -0.65 4.97 3.32 -0.84 -1.72 116.42 122.43 1bab h ASP 86 Ca 0.05 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.73 1bab h ASP 86 Cb 0.74 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 1bab h ASP 86 CO 0.06 0.84 0.38 0.25 -1.72 0.00 0.00 179.24 179.04 1bab h LEU 87 N 0.25 0.59 -0.12 1.55 5.85 -1.09 0.17 115.31 122.52 1bab h LEU 87 Ca 0.06 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.55 1bab h LEU 87 Cb 0.63 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.57 1bab h LEU 87 CO 0.04 0.40 -0.85 0.45 -0.34 0.00 0.00 178.44 178.14 1bab h HIS 88 N 0.73 1.06 -0.40 1.25 3.86 -1.15 -0.02 115.15 120.47 1bab h HIS 88 Ca 0.27 -0.50 -0.12 0.00 -1.16 0.00 0.00 60.37 58.86 1bab h HIS 88 Cb 0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1bab h HIS 88 CO -0.06 1.33 -0.22 0.00 0.86 0.00 0.00 177.93 179.83 1bab h ALA 89 N 0.52 0.57 0.00 2.45 0.00 -1.05 0.33 119.26 122.09 1bab h ALA 89 Ca -0.07 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1bab h ALA 89 Cb 1.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1bab h ALA 89 CO 0.17 0.55 -2.03 0.72 0.00 0.00 0.00 179.25 178.67 1bab n HIS 90 N -4.20 0.11 0.02 0.00 8.25 0.58 -4.55 115.22 115.43 1bab n HIS 90 Ca -0.01 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1bab n HIS 90 Cb 0.45 -0.71 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 1bab n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bab n LYS 91 N -2.46 0.09 -0.05 -0.41 0.00 -0.61 -4.86 118.16 109.86 1bab n LYS 91 Ca -0.13 0.04 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 1bab n LYS 91 Cb 0.76 -0.60 -0.07 0.00 0.00 0.00 0.00 35.03 35.12 1bab n LYS 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bab h LEU 92 N -0.17 0.29 -1.54 3.14 3.38 -1.14 -3.48 115.31 115.79 1bab h LEU 92 Ca 0.00 -0.43 -0.40 0.00 0.09 0.00 0.00 57.88 57.14 1bab h LEU 92 Cb 0.17 -0.08 0.08 0.00 0.09 0.00 0.00 40.66 40.92 1bab h LEU 92 CO 0.00 0.65 -0.79 0.54 0.09 0.00 0.00 178.44 178.93 1bab n ARG 93 N -4.66 -5.76 -2.39 1.13 1.74 0.12 -4.94 116.66 101.89 1bab n ARG 93 Ca -0.06 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1bab n ARG 93 Cb 0.30 -5.47 -0.03 0.00 -1.02 0.00 0.00 32.46 26.23 1bab n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bab s VAL 94 N -3.50 4.03 0.35 1.55 1.01 -1.26 -4.97 120.40 117.60 1bab s VAL 94 Ca 0.15 1.42 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 1bab s VAL 94 Cb -0.07 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 1bab s VAL 94 CO 0.78 0.05 1.35 -0.67 0.00 0.00 0.00 175.10 176.61 1bab n ASP 95 N 4.62 3.02 0.23 3.32 -0.08 -1.26 -4.83 116.55 121.57 1bab n ASP 95 Ca 0.10 1.21 0.18 0.00 -1.51 0.00 0.00 54.79 54.77 1bab n ASP 95 Cb 0.46 -1.52 0.87 0.00 2.34 0.00 0.00 41.12 43.27 1bab n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bab h PRO 96 N 2.74 0.00 -0.58 -0.67 0.11 -2.00 -2.32 132.00 129.28 1bab h PRO 96 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1bab h PRO 96 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1bab h PRO 96 CO 0.64 0.00 0.39 0.28 -0.21 0.00 0.00 178.00 179.09 1bab h VAL 97 N 0.00 1.04 0.00 3.15 2.07 -2.04 -2.34 116.25 118.13 1bab h VAL 97 Ca 0.07 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1bab h VAL 97 Cb 0.47 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1bab h VAL 97 CO -0.00 0.11 -0.11 0.78 0.02 0.00 0.00 177.57 178.37 1bab h ASN 98 N 0.62 0.00 -0.52 0.57 4.21 -1.78 -2.68 115.58 116.01 1bab h ASN 98 Ca 0.24 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.70 1bab h ASN 98 Cb 0.18 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 1bab h ASN 98 CO -0.07 0.11 0.13 -0.26 -1.29 0.00 0.00 177.43 176.05 1bab h PHE 99 N 0.00 0.91 -0.30 1.19 -1.00 -1.60 -2.19 116.94 113.96 1bab h PHE 99 Ca -0.00 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 1bab h PHE 99 Cb 0.36 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1bab h PHE 99 CO 0.00 0.77 -0.12 0.87 -1.61 0.00 0.00 178.31 178.22 1bab h LYS 100 N 0.84 0.50 -0.07 1.51 1.57 -1.62 -1.36 116.57 117.94 1bab h LYS 100 Ca 0.18 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1bab h LYS 100 Cb 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bab h LYS 100 CO 0.00 0.62 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.24 1bab h LEU 101 N 0.46 0.29 -0.73 2.94 3.38 -1.49 -1.48 115.31 118.68 1bab h LEU 101 Ca 0.09 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1bab h LEU 101 Cb 0.48 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1bab h LEU 101 CO 0.03 0.82 0.35 0.25 0.09 0.00 0.00 178.44 179.98 1bab h LEU 102 N -0.24 0.96 -0.68 1.67 6.46 -1.36 -1.95 115.31 120.18 1bab h LEU 102 Ca -0.00 -0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1bab h LEU 102 Cb 0.79 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.41 1bab h LEU 102 CO 0.04 0.83 0.38 0.28 -0.62 0.00 0.00 178.44 179.35 1bab h SER 103 N 1.03 0.56 -0.25 1.25 0.02 -1.19 0.15 113.55 115.12 1bab h SER 103 Ca 0.25 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1bab h SER 103 Cb 0.13 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1bab h SER 103 CO -0.03 0.36 0.16 -0.74 -1.14 0.00 0.00 176.83 175.43 1bab h HIS 104 N 0.69 0.33 -0.16 3.45 -0.00 -1.05 -0.69 115.15 117.72 1bab h HIS 104 Ca 0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.60 1bab h HIS 104 Cb 0.20 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1bab h HIS 104 CO -0.08 0.24 -0.24 0.00 -0.00 0.00 0.00 177.93 177.86 1bab h LEU 106 N 0.27 0.83 -0.65 0.00 5.85 -0.43 -1.60 115.31 119.57 1bab h LEU 106 Ca 0.04 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1bab h LEU 106 Cb 0.57 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1bab h LEU 106 CO 0.04 0.94 0.40 0.25 -0.34 0.00 0.00 178.44 179.73 1bab h LEU 107 N 0.70 0.66 -0.78 2.25 5.85 -0.59 0.21 115.31 123.61 1bab h LEU 107 Ca 0.13 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1bab h LEU 107 Cb 0.52 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1bab h LEU 107 CO 0.03 0.46 0.39 0.58 -0.34 0.00 0.00 178.44 179.56 1bab h VAL 108 N 0.80 1.24 -0.09 1.05 2.07 -1.01 0.73 116.25 121.04 1bab h VAL 108 Ca 0.26 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1bab h VAL 108 Cb 0.01 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1bab h VAL 108 CO -0.10 0.28 0.03 0.74 0.02 0.00 0.00 177.57 178.54 1bab h THR 109 N 1.10 1.17 -0.30 2.57 2.02 -0.75 -1.49 112.91 117.22 1bab h THR 109 Ca 0.27 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1bab h THR 109 Cb 0.09 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1bab h THR 109 CO -0.04 0.14 0.18 -0.07 0.37 0.00 0.00 175.52 176.11 1bab h LEU 110 N -0.04 0.31 -0.65 2.58 4.07 -0.79 -2.27 115.31 118.51 1bab h LEU 110 Ca 0.03 -0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.11 1bab h LEU 110 Cb 0.20 -0.07 -0.09 0.00 1.08 0.00 0.00 40.66 41.78 1bab h LEU 110 CO -0.00 0.22 0.18 0.00 -1.08 0.00 0.00 178.44 177.76 1bab h ALA 111 N 1.12 0.82 0.00 1.53 0.00 -0.57 0.14 119.26 122.31 1bab h ALA 111 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1bab h ALA 111 Cb -0.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bab h ALA 111 CO -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1bab h ALA 112 N 1.51 1.00 0.00 0.00 0.00 -0.94 -3.25 119.26 117.58 1bab h ALA 112 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1bab h ALA 112 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bab h ALA 112 CO -0.41 0.00 -1.10 0.72 0.00 0.00 0.00 179.25 178.46 1bab n HIS 113 N -3.08 0.00 -3.25 0.00 -0.00 -0.61 -4.78 115.22 103.51 1bab n HIS 113 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 1bab n HIS 113 Cb 0.28 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.99 30.05 1bab n HIS 113 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bab n LEU 114 N -1.63 4.05 -0.14 2.41 4.77 0.39 -4.92 117.00 121.93 1bab n LEU 114 Ca -0.00 -5.53 -0.04 0.00 -0.03 0.00 0.00 56.01 50.41 1bab n LEU 114 Cb 0.24 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1bab n LEU 114 CO 0.22 2.16 0.81 1.55 -1.33 0.00 0.00 177.39 180.81 1bab h PRO 115 N 3.76 0.05 -0.19 3.23 0.13 -1.85 -1.92 132.00 135.20 1bab h PRO 115 Ca 0.18 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.13 1bab h PRO 115 Cb 0.60 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1bab h PRO 115 CO 0.84 0.03 -0.59 0.00 -0.23 0.00 0.00 178.00 178.05 1bab h ALA 116 N 1.42 0.60 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.45 1bab h ALA 116 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bab h ALA 116 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bab h ALA 116 CO -0.42 0.70 -0.69 0.39 0.00 0.00 0.00 179.25 179.22 1bab n GLU 117 N -3.95 0.14 -1.76 0.00 4.71 -1.06 -4.63 120.64 114.08 1bab n GLU 117 Ca -0.04 0.02 -0.40 0.00 -0.01 0.00 0.00 57.16 56.73 1bab n GLU 117 Cb 0.64 -1.57 -0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1bab n GLU 117 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1bab n PHE 118 N -1.76 2.71 -1.99 -0.32 7.35 -0.75 -4.75 117.46 117.94 1bab n PHE 118 Ca 0.04 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.51 1bab n PHE 118 Cb 0.39 -2.19 0.11 0.00 0.35 0.00 0.00 39.48 38.14 1bab n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bab s THR 119 N 0.85 2.06 0.19 -2.13 -4.23 -1.26 -4.78 115.64 106.34 1bab s THR 119 Ca 0.57 -0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1bab s THR 119 Cb 0.16 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 71.13 1bab s THR 119 CO -0.07 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 1bab h PRO 120 N -1.08 0.47 -0.47 3.99 0.11 -1.99 0.12 132.00 133.16 1bab h PRO 120 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1bab h PRO 120 Cb 1.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1bab h PRO 120 CO 0.57 0.31 -0.14 0.00 -0.21 0.00 0.00 178.00 178.54 1bab h ALA 121 N 1.33 0.87 -0.25 -0.75 0.00 -1.97 -1.05 119.26 117.45 1bab h ALA 121 Ca 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bab h ALA 121 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bab h ALA 121 CO -0.21 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 179.89 1bab h VAL 122 N 0.78 1.29 -0.36 0.00 2.07 -1.73 -1.55 116.25 116.74 1bab h VAL 122 Ca 0.12 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1bab h VAL 122 Cb 0.66 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1bab h VAL 122 CO 0.05 0.34 -0.09 -0.74 0.02 0.00 0.00 177.57 177.15 1bab h HIS 123 N 0.23 -0.20 -0.32 1.57 6.17 -0.62 0.24 115.15 122.23 1bab h HIS 123 Ca 0.06 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.20 1bab h HIS 123 Cb 0.54 0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.59 1bab h HIS 123 CO 0.05 -0.16 0.14 0.00 0.71 0.00 0.00 177.93 178.68 1bab h ALA 124 N 1.36 0.38 -0.70 5.26 0.00 -0.96 -0.69 119.26 123.90 1bab h ALA 124 Ca 0.17 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1bab h ALA 124 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1bab h ALA 124 CO -0.38 -0.24 0.21 0.77 0.00 0.00 0.00 179.25 179.62 1bab h SER 125 N 0.30 1.02 -0.54 0.00 0.02 -0.66 -1.57 113.55 112.13 1bab h SER 125 Ca 0.13 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1bab h SER 125 Cb 0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1bab h SER 125 CO -0.11 0.96 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.44 1bab h LEU 126 N 1.03 0.99 -0.52 5.07 3.38 -0.28 0.31 115.31 125.28 1bab h LEU 126 Ca 0.23 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1bab h LEU 126 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1bab h LEU 126 CO -0.01 1.06 0.32 -0.78 0.09 0.00 0.00 178.44 179.12 1bab h ASP 127 N 0.91 0.62 -0.56 -0.43 3.58 -0.87 -0.04 116.42 119.63 1bab h ASP 127 Ca 0.16 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1bab h ASP 127 Cb 0.58 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1bab h ASP 127 CO 0.04 0.48 0.18 0.11 -2.88 0.00 0.00 179.24 177.17 1bab h LYS 128 N 0.69 0.87 -0.32 0.28 1.57 -1.05 -1.29 116.57 117.31 1bab h LYS 128 Ca 0.19 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1bab h LYS 128 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1bab h LYS 128 CO -0.04 0.78 0.18 0.35 -0.57 0.00 0.00 179.45 180.16 1bab h PHE 129 N 0.78 0.34 -0.41 -1.35 3.57 -0.44 -0.61 116.94 118.82 1bab h PHE 129 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1bab h PHE 129 Cb 0.27 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1bab h PHE 129 CO 0.02 0.20 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.18 1bab h LEU 130 N 0.37 0.65 -0.86 0.59 3.38 -0.86 0.28 115.31 118.86 1bab h LEU 130 Ca 0.13 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1bab h LEU 130 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1bab h LEU 130 CO -0.07 0.74 0.27 0.00 0.09 0.00 0.00 178.44 179.47 1bab h ALA 131 N 1.33 1.09 -0.31 1.53 0.00 -0.83 -1.17 119.26 120.90 1bab h ALA 131 Ca 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1bab h ALA 131 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bab h ALA 131 CO 0.02 0.64 -0.19 0.77 0.00 0.00 0.00 179.25 180.48 1bab h SER 132 N 1.07 0.70 -0.33 0.00 0.02 -0.32 -0.22 113.55 114.47 1bab h SER 132 Ca 0.24 -0.43 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1bab h SER 132 Cb 0.24 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1bab h SER 132 CO -0.02 0.98 0.12 0.58 -1.14 0.00 0.00 176.83 177.36 1bab h VAL 133 N 0.43 0.92 -0.54 2.27 2.07 -0.77 -0.63 116.25 120.00 1bab h VAL 133 Ca 0.06 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1bab h VAL 133 Cb 0.74 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1bab h VAL 133 CO 0.05 0.05 0.30 0.28 0.02 0.00 0.00 177.57 178.28 1bab h SER 134 N 0.27 0.47 -0.58 0.57 0.02 -0.96 0.79 113.55 114.13 1bab h SER 134 Ca 0.15 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1bab h SER 134 Cb 0.11 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1bab h SER 134 CO -0.14 0.32 0.37 0.74 -1.14 0.00 0.00 176.83 176.98 1bab h THR 135 N 0.59 1.12 -0.48 -2.27 2.02 -0.63 -1.57 112.91 111.70 1bab h THR 135 Ca 0.23 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1bab h THR 135 Cb 0.08 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1bab h THR 135 CO -0.13 0.14 0.04 0.58 0.37 0.00 0.00 175.52 176.52 1bab h VAL 136 N 0.75 1.26 0.00 3.16 2.07 -0.36 -2.24 116.25 120.90 1bab h VAL 136 Ca 0.22 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1bab h VAL 136 Cb -0.05 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1bab h VAL 136 CO -0.06 0.35 -0.04 -0.07 0.02 0.00 0.00 177.57 177.77 1bab h LEU 137 N 0.69 0.00 -2.15 2.57 3.38 -0.41 -2.66 115.31 116.73 1bab h LEU 137 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bab h LEU 137 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1bab h LEU 137 CO 0.02 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1bab n THR 138 N -3.22 0.44 0.29 0.22 -2.24 -0.63 -4.49 114.28 104.64 1bab n THR 138 Ca -0.01 -0.72 0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1bab n THR 138 Cb 0.24 0.96 0.78 0.00 -2.10 0.00 0.00 70.33 70.20 1bab n THR 138 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bab h SER 139 N 2.92 0.00 -0.53 3.42 4.64 -1.03 -2.67 113.55 120.29 1bab h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bab h SER 139 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1bab h SER 139 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1bab n LYS 140 N -3.13 3.27 0.05 4.77 5.02 -1.26 -4.59 118.16 122.28 1bab n LYS 140 Ca -0.00 -2.65 0.04 0.00 -2.02 0.00 0.00 58.31 53.69 1bab n LYS 140 Cb 0.27 -1.68 0.46 0.00 -0.02 0.00 0.00 35.03 34.05 1bab n LYS 140 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1bab h TYR 141 N 3.29 0.43 0.00 2.13 -1.99 -1.80 -3.46 116.97 115.56 1bab h TYR 141 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1bab h TYR 141 Cb 1.21 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1bab h TYR 141 CO 0.56 0.28 0.00 2.89 -0.00 0.00 0.00 178.16 181.88