#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1k s SER 3 N 0.00 3.20 0.47 -1.43 1.04 -1.26 -4.77 113.70 110.94 1o1k s SER 3 Ca 0.00 1.60 0.12 0.00 0.48 0.00 0.00 55.95 58.15 1o1k s SER 3 Cb 0.00 -2.26 1.08 0.00 0.10 0.00 0.00 66.02 64.94 1o1k s SER 3 CO 0.00 -2.83 2.10 -0.65 0.98 0.00 0.00 173.24 172.84 1o1k h PRO 4 N -1.68 0.26 -0.42 4.02 0.11 -2.06 -1.29 132.00 130.96 1o1k h PRO 4 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1o1k h PRO 4 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1o1k h PRO 4 CO 0.52 0.17 -0.06 0.00 -0.21 0.00 0.00 178.00 178.42 1o1k h ALA 5 N 1.86 0.57 -0.93 -0.75 0.00 -1.99 -1.51 119.26 116.51 1o1k h ALA 5 Ca 0.09 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1o1k h ALA 5 Cb 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1o1k h ALA 5 CO -0.02 0.41 0.60 -0.44 0.00 0.00 0.00 179.25 179.80 1o1k h ASP 6 N 0.60 0.99 0.01 0.00 3.32 -1.61 -0.88 116.42 118.86 1o1k h ASP 6 Ca 0.11 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1o1k h ASP 6 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1o1k h ASP 6 CO 0.03 0.68 -0.12 0.11 -1.72 0.00 0.00 179.24 178.21 1o1k h LYS 7 N 1.15 0.24 -0.02 3.56 1.57 -0.83 -1.26 116.57 120.99 1o1k h LYS 7 Ca 0.37 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1o1k h LYS 7 Cb 0.03 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1o1k h LYS 7 CO -0.13 0.38 -0.70 1.15 -0.57 0.00 0.00 179.45 179.58 1o1k h THR 8 N 0.23 1.37 -0.60 -0.16 2.02 -0.32 -2.84 112.91 112.61 1o1k h THR 8 Ca 0.05 -2.07 -0.06 0.00 0.77 0.00 0.00 66.41 65.09 1o1k h THR 8 Cb 0.37 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1o1k h THR 8 CO 0.02 0.62 0.14 0.78 0.37 0.00 0.00 175.52 177.45 1o1k h ASN 9 N 0.09 0.91 0.13 4.18 2.35 -0.99 -1.68 115.58 120.57 1o1k h ASN 9 Ca -0.08 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1o1k h ASN 9 Cb 1.39 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 1o1k h ASN 9 CO 0.14 0.91 -0.09 0.58 -1.65 0.00 0.00 177.43 177.32 1o1k h VAL 10 N 0.87 0.80 -0.61 2.81 2.07 -1.30 -0.44 116.25 120.45 1o1k h VAL 10 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1o1k h VAL 10 Cb 0.36 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1o1k h VAL 10 CO 0.00 0.00 0.29 0.11 0.02 0.00 0.00 177.57 177.99 1o1k h LYS 11 N -0.22 0.86 -0.08 1.57 1.57 -1.43 0.10 116.57 118.95 1o1k h LYS 11 Ca -0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1o1k h LYS 11 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1o1k h LYS 11 CO -0.00 0.67 -0.00 0.00 -0.57 0.00 0.00 179.45 179.55 1o1k h ALA 12 N 1.46 0.11 -0.54 3.86 0.00 -1.02 -1.15 119.26 121.97 1o1k h ALA 12 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1o1k h ALA 12 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1o1k h ALA 12 CO -0.03 -0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.11 1o1k h ALA 13 N 0.71 0.72 0.00 0.00 0.00 -0.85 -2.68 119.26 117.17 1o1k h ALA 13 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1o1k h ALA 13 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1o1k h ALA 13 CO 0.00 0.47 -0.33 2.35 0.00 0.00 0.00 179.25 181.74 1o1k h TRP 14 N 0.79 0.00 -0.19 0.00 2.91 -0.80 -2.81 115.95 115.85 1o1k h TRP 14 Ca 0.17 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.15 1o1k h TRP 14 Cb 0.41 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 1o1k h TRP 14 CO 0.03 0.33 -0.00 0.78 -1.03 0.00 0.00 178.44 178.55 1o1k h GLY 15 N 2.01 0.37 0.90 2.65 0.00 -0.94 -2.87 103.07 105.18 1o1k h GLY 15 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.13 1o1k h GLY 15 CO 0.04 0.25 0.53 1.70 0.00 0.00 0.00 176.54 179.06 1o1k h LYS 16 N 0.09 0.81 -0.79 4.80 1.63 -1.27 0.10 116.57 121.95 1o1k h LYS 16 Ca 0.05 -0.05 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 1o1k h LYS 16 Cb 0.40 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 1o1k h LYS 16 CO 0.01 0.54 0.52 0.28 -3.45 0.00 0.00 179.45 177.35 1o1k h VAL 17 N 0.84 0.80 0.00 2.00 2.07 -1.27 -3.45 116.25 117.24 1o1k h VAL 17 Ca 0.36 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1o1k h VAL 17 Cb 0.31 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1o1k h VAL 17 CO -0.13 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.15 1o1k n GLY 18 N -1.50 2.77 0.00 2.17 0.00 0.36 -1.08 105.19 107.91 1o1k n GLY 18 Ca 0.15 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1o1k n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o1k n ALA 19 N 8.33 2.25 1.16 4.61 0.00 -1.26 -3.17 120.51 132.43 1o1k n ALA 19 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1o1k n ALA 19 Cb 0.00 -1.39 0.61 0.00 0.00 0.00 0.00 19.45 18.67 1o1k n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 20 N -1.22 0.00 -0.29 0.00 -0.00 -0.24 -4.35 115.22 109.12 1o1k n HIS 20 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1o1k n HIS 20 Cb 0.16 -0.37 -0.09 0.00 -0.00 0.00 0.00 29.99 29.69 1o1k n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o1k h ALA 21 N 3.19 -0.57 -0.68 -1.41 0.00 -1.61 0.18 119.26 118.36 1o1k h ALA 21 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1o1k h ALA 21 Cb 0.43 1.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 1o1k h ALA 21 CO 0.00 -0.90 0.27 0.78 0.00 0.00 0.00 179.25 179.41 1o1k h GLY 22 N -0.12 0.99 1.30 0.00 0.00 -1.85 0.18 103.07 103.58 1o1k h GLY 22 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1o1k h GLY 22 CO -0.74 -0.03 0.15 -2.09 0.00 0.00 0.00 176.54 173.83 1o1k h GLU 23 N 0.46 0.88 0.00 4.80 4.81 -1.50 -2.28 114.58 121.74 1o1k h GLU 23 Ca 0.35 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1o1k h GLU 23 Cb 0.46 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1o1k h GLU 23 CO -0.33 0.78 -0.61 1.88 -0.73 0.00 0.00 179.01 180.00 1o1k h TYR 24 N 0.85 0.00 -0.32 0.92 0.05 0.80 -2.61 116.97 116.65 1o1k h TYR 24 Ca 0.19 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.87 1o1k h TYR 24 Cb 0.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1o1k h TYR 24 CO 0.02 0.61 -0.19 0.78 -1.05 0.00 0.00 178.16 178.33 1o1k h GLY 25 N 1.87 0.65 1.07 3.88 0.00 -0.19 -1.65 103.07 108.70 1o1k h GLY 25 Ca -0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1o1k h GLY 25 CO 0.08 0.46 -0.59 0.00 0.00 0.00 0.00 176.54 176.49 1o1k h ALA 26 N 1.26 0.33 -0.17 3.60 0.00 -1.30 -2.61 119.26 120.37 1o1k h ALA 26 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1o1k h ALA 26 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1o1k h ALA 26 CO 0.04 0.58 0.11 1.49 0.00 0.00 0.00 179.25 181.48 1o1k h GLU 27 N 0.46 0.23 -0.77 0.00 4.81 -1.33 -0.40 114.58 117.58 1o1k h GLU 27 Ca -0.02 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1o1k h GLU 27 Cb 1.21 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 1o1k h GLU 27 CO 0.13 0.15 0.44 0.00 -0.73 0.00 0.00 179.01 179.00 1o1k h ALA 28 N 1.06 1.08 -0.36 2.92 0.00 -1.31 0.23 119.26 122.87 1o1k h ALA 28 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1o1k h ALA 28 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1o1k h ALA 28 CO -0.01 0.10 0.16 -0.07 0.00 0.00 0.00 179.25 179.42 1o1k h LEU 29 N 0.78 0.49 -0.43 0.00 3.38 -1.04 0.44 115.31 118.93 1o1k h LEU 29 Ca 0.36 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1o1k h LEU 29 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1o1k h LEU 29 CO -0.22 0.51 0.27 -0.08 0.09 0.00 0.00 178.44 179.01 1o1k h GLU 30 N 0.44 0.53 -0.91 1.13 4.81 -0.32 0.09 114.58 120.35 1o1k h GLU 30 Ca 0.12 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1o1k h GLU 30 Cb 0.16 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1o1k h GLU 30 CO -0.01 0.35 0.59 0.00 -0.73 0.00 0.00 179.01 179.21 1o1k h ARG 31 N 0.55 1.10 0.15 1.92 3.08 -0.27 -2.07 114.38 118.84 1o1k h ARG 31 Ca 0.16 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1o1k h ARG 31 Cb -0.03 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1o1k h ARG 31 CO -0.06 0.73 -0.07 1.98 -1.07 0.00 0.00 179.97 181.48 1o1k h MET 32 N 1.13 -0.19 -0.70 0.04 4.05 -0.19 -1.05 114.93 118.01 1o1k h MET 32 Ca 0.37 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.86 1o1k h MET 32 Cb 0.03 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 1o1k h MET 32 CO -0.13 0.05 0.46 0.74 0.23 0.00 0.00 176.91 178.26 1o1k h PHE 33 N -0.41 0.74 0.13 1.39 0.04 -0.78 0.19 116.94 118.25 1o1k h PHE 33 Ca -0.02 0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 1o1k h PHE 33 Cb 0.32 -0.24 0.03 0.00 2.20 0.00 0.00 35.95 38.25 1o1k h PHE 33 CO -0.00 0.40 -0.99 -0.07 -0.60 0.00 0.00 178.31 177.04 1o1k h LEU 34 N 0.74 0.65 -0.01 1.54 3.38 -1.33 -3.28 115.31 117.00 1o1k h LEU 34 Ca 0.30 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 57.13 1o1k h LEU 34 Cb 0.24 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1o1k h LEU 34 CO -0.10 1.47 -1.11 0.28 0.09 0.00 0.00 178.44 179.07 1o1k h SER 35 N -0.07 0.63 -3.10 -0.43 0.02 -0.99 -3.39 113.55 106.23 1o1k h SER 35 Ca -0.16 -0.56 -0.62 0.00 -0.84 0.00 0.00 61.79 59.61 1o1k h SER 35 Cb 1.74 -0.20 -0.41 0.00 0.14 0.00 0.00 62.40 63.67 1o1k h SER 35 CO 0.19 1.39 -0.67 -0.36 -1.14 0.00 0.00 176.83 176.23 1o1k s PHE 36 N -3.04 2.91 0.49 3.45 0.08 0.66 -4.98 117.98 117.56 1o1k s PHE 36 Ca -0.07 -3.05 0.26 0.00 0.12 0.00 0.00 56.93 54.20 1o1k s PHE 36 Cb 0.07 -2.29 1.34 0.00 -0.57 0.00 0.00 43.02 41.57 1o1k s PHE 36 CO 0.89 -0.64 1.88 -1.35 -0.10 0.00 0.00 175.22 175.90 1o1k h PRO 37 N 5.65 0.14 0.00 0.24 0.11 -1.75 -1.63 132.00 134.77 1o1k h PRO 37 Ca 0.14 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1o1k h PRO 37 Cb 0.81 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1o1k h PRO 37 CO 0.63 0.09 -0.03 1.79 -0.21 0.00 0.00 178.00 180.27 1o1k h THR 38 N 0.14 0.58 0.00 -1.15 1.35 -1.92 -0.91 112.91 111.00 1o1k h THR 38 Ca 0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1o1k h THR 38 Cb 1.52 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1o1k h THR 38 CO -0.07 0.03 0.00 0.35 -0.25 0.00 0.00 175.52 175.57 1o1k n THR 39 N -3.86 0.91 0.35 6.82 -2.24 -0.61 -2.19 114.28 113.46 1o1k n THR 39 Ca -0.03 0.43 0.14 0.00 -2.27 0.00 0.00 64.05 62.33 1o1k n THR 39 Cb 0.12 -1.40 0.55 0.00 -2.10 0.00 0.00 70.33 67.50 1o1k n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1o1k h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.35 -3.09 116.57 112.92 1o1k h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o1k h LYS 40 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1o1k h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1o1k h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.63 -1.18 112.91 111.28 1o1k h THR 41 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1o1k h THR 41 Cb 0.51 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1o1k h THR 41 CO 0.00 0.00 -0.43 -1.22 -0.25 0.00 0.00 175.52 173.62 1o1k n TYR 42 N -2.74 0.00 -2.49 4.73 4.01 -1.17 -4.32 117.16 115.19 1o1k n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1o1k n TYR 42 Cb 0.09 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1o1k n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1o1k n PHE 43 N -1.13 2.37 0.30 -0.72 3.01 -0.45 -4.84 117.46 116.00 1o1k n PHE 43 Ca 0.08 -2.73 0.16 0.00 1.01 0.00 0.00 57.45 55.97 1o1k n PHE 43 Cb 0.34 -0.23 0.74 0.00 -0.01 0.00 0.00 39.48 40.32 1o1k n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1o1k h PRO 44 N 2.63 0.00 -0.01 -1.08 0.13 -1.75 -2.22 132.00 129.70 1o1k h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o1k h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1o1k h PRO 44 CO 0.65 0.00 -0.24 -2.39 -0.23 0.00 0.00 178.00 175.79 1o1k n HIS 45 N -2.67 0.00 -3.84 1.56 1.44 -1.26 -4.92 115.22 105.52 1o1k n HIS 45 Ca -0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1o1k n HIS 45 Cb 0.17 -0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.15 1o1k n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1o1k s PHE 46 N -2.41 3.50 -0.48 -1.40 0.40 -0.84 -5.05 117.98 111.71 1o1k s PHE 46 Ca 0.26 0.33 -0.24 0.00 -0.60 0.00 0.00 56.93 56.68 1o1k s PHE 46 Cb 0.19 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.93 1o1k s PHE 46 CO 0.49 0.53 0.85 0.34 0.70 0.00 0.00 175.22 178.14 1o1k s ASP 47 N -2.56 6.42 -0.40 1.36 -1.08 -1.26 -4.91 116.67 114.24 1o1k s ASP 47 Ca 0.37 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.31 1o1k s ASP 47 Cb -0.13 -2.41 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 1o1k s ASP 47 CO 0.27 -1.02 1.81 0.18 0.52 0.00 0.00 175.17 176.93 1o1k n LEU 48 N 6.99 6.29 -4.86 -1.34 4.77 -1.26 -4.58 117.00 123.01 1o1k n LEU 48 Ca 0.03 -3.36 -0.31 0.00 -0.03 0.00 0.00 56.01 52.34 1o1k n LEU 48 Cb 0.48 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1o1k n LEU 48 CO 0.61 1.00 0.52 -0.94 -1.33 0.00 0.00 177.39 177.25 1o1k s SER 49 N -0.99 6.56 0.38 -1.43 1.04 -1.26 -4.98 113.70 113.01 1o1k s SER 49 Ca 0.49 1.28 -0.26 0.00 0.48 0.00 0.00 55.95 57.95 1o1k s SER 49 Cb 0.41 -2.39 -0.12 0.00 0.10 0.00 0.00 66.02 64.03 1o1k s SER 49 CO 0.09 -0.46 1.02 1.57 0.98 0.00 0.00 173.24 176.44 1o1k n HIS 50 N -1.38 1.26 -1.08 5.02 -0.00 -1.26 -1.73 115.22 116.06 1o1k n HIS 50 Ca 0.04 0.59 -0.03 0.00 0.46 0.00 0.00 57.72 58.79 1o1k n HIS 50 Cb 0.54 -2.25 -0.01 0.00 -0.12 0.00 0.00 29.99 28.15 1o1k n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1o1k n GLY 51 N 1.17 0.48 3.78 1.57 0.00 -1.26 -4.97 105.19 105.96 1o1k n GLY 51 Ca 0.09 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1o1k n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1o1k s SER 52 N -2.22 6.37 0.22 1.61 0.15 -0.70 -4.91 113.70 114.21 1o1k s SER 52 Ca 0.00 3.02 -0.06 0.00 0.70 0.00 0.00 55.95 59.62 1o1k s SER 52 Cb 0.00 -2.66 0.19 0.00 -1.71 0.00 0.00 66.02 61.83 1o1k s SER 52 CO 0.00 -0.86 1.68 0.00 1.20 0.00 0.00 173.24 175.26 1o1k h ALA 53 N 3.22 0.94 -0.79 5.45 0.00 -1.90 -2.04 119.26 124.13 1o1k h ALA 53 Ca -0.50 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1o1k h ALA 53 Cb 1.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1o1k h ALA 53 CO 0.66 0.63 0.38 1.96 0.00 0.00 0.00 179.25 182.88 1o1k h GLN 54 N 0.84 1.14 -0.25 0.00 4.20 -1.91 0.92 115.11 120.04 1o1k h GLN 54 Ca 0.15 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1o1k h GLN 54 Cb 0.55 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1o1k h GLN 54 CO 0.03 0.87 -0.38 0.28 -0.67 0.00 0.00 178.83 178.96 1o1k h VAL 55 N 1.13 1.31 -0.51 -0.54 2.07 -1.76 -0.90 116.25 117.04 1o1k h VAL 55 Ca 0.27 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1o1k h VAL 55 Cb 0.11 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1o1k h VAL 55 CO -0.04 0.50 0.18 0.11 0.02 0.00 0.00 177.57 178.35 1o1k h LYS 56 N 0.42 0.77 -0.44 1.57 1.57 -1.10 0.23 116.57 119.60 1o1k h LYS 56 Ca 0.02 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1o1k h LYS 56 Cb 0.97 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1o1k h LYS 56 CO 0.09 0.70 0.19 0.78 -0.57 0.00 0.00 179.45 180.64 1o1k h GLY 57 N 0.69 0.70 1.56 3.86 0.00 -0.78 -1.86 103.07 107.24 1o1k h GLY 57 Ca 0.17 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1o1k h GLY 57 CO -0.01 0.35 -0.24 0.84 0.00 0.00 0.00 176.54 177.49 1o1k h HIS 58 N 0.57 0.58 -0.98 5.60 -0.00 -0.97 -2.56 115.15 117.38 1o1k h HIS 58 Ca 0.15 -0.12 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1o1k h HIS 58 Cb 0.17 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 1o1k h HIS 58 CO -0.00 0.71 0.64 0.78 -0.00 0.00 0.00 177.93 180.06 1o1k h GLY 59 N 1.01 1.43 1.46 5.26 0.00 -0.00 -1.53 103.07 110.69 1o1k h GLY 59 Ca 0.07 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1o1k h GLY 59 CO 0.05 0.41 -0.51 1.70 0.00 0.00 0.00 176.54 178.19 1o1k h LYS 60 N 1.23 0.58 -0.28 4.80 3.64 -0.96 -1.46 116.57 124.11 1o1k h LYS 60 Ca 0.39 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1o1k h LYS 60 Cb 0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1o1k h LYS 60 CO -0.12 0.95 0.13 0.87 -2.27 0.00 0.00 179.45 179.01 1o1k h LYS 61 N 0.45 0.41 -0.32 1.90 1.57 -1.11 0.31 116.57 119.78 1o1k h LYS 61 Ca 0.02 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1o1k h LYS 61 Cb 1.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1o1k h LYS 61 CO 0.10 0.40 0.16 0.28 -0.57 0.00 0.00 179.45 179.82 1o1k h VAL 62 N 0.31 1.00 -0.70 0.50 2.07 -1.22 -1.40 116.25 116.81 1o1k h VAL 62 Ca 0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1o1k h VAL 62 Cb 0.13 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1o1k h VAL 62 CO -0.01 0.06 0.35 0.00 0.02 0.00 0.00 177.57 177.99 1o1k h ALA 63 N 1.16 0.90 -0.79 1.67 0.00 -1.01 -2.01 119.26 119.17 1o1k h ALA 63 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1o1k h ALA 63 Cb 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1o1k h ALA 63 CO -0.08 0.44 0.34 -0.44 0.00 0.00 0.00 179.25 179.50 1o1k h ASP 64 N 0.96 1.07 -0.37 0.00 3.32 0.04 -1.36 116.42 120.07 1o1k h ASP 64 Ca 0.24 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1o1k h ASP 64 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1o1k h ASP 64 CO -0.03 0.93 0.17 0.00 -1.72 0.00 0.00 179.24 178.58 1o1k h ALA 65 N 1.22 0.48 -0.83 3.45 0.00 -0.93 -1.25 119.26 121.41 1o1k h ALA 65 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1o1k h ALA 65 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1o1k h ALA 65 CO -0.03 0.06 0.55 -0.07 0.00 0.00 0.00 179.25 179.76 1o1k h LEU 66 N 0.46 0.95 -1.24 0.00 3.38 -1.10 0.31 115.31 118.07 1o1k h LEU 66 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1o1k h LEU 66 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1o1k h LEU 66 CO -0.01 0.69 0.29 0.74 0.09 0.00 0.00 178.44 180.24 1o1k h THR 67 N 1.12 1.19 -0.41 0.22 2.02 -0.90 -0.34 112.91 115.81 1o1k h THR 67 Ca 0.31 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 1o1k h THR 67 Cb -0.12 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1o1k h THR 67 CO -0.07 0.22 -0.22 -1.13 0.37 0.00 0.00 175.52 174.69 1o1k h ASN 68 N 0.82 0.83 -0.75 4.18 -1.24 -0.02 -2.36 115.58 117.03 1o1k h ASN 68 Ca 0.21 -0.30 -0.06 0.00 0.71 0.00 0.00 56.30 56.86 1o1k h ASN 68 Cb 0.07 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1o1k h ASN 68 CO -0.03 1.02 0.24 0.00 -1.29 0.00 0.00 177.43 177.37 1o1k h ALA 69 N 1.04 0.98 -0.46 1.57 0.00 0.19 -2.56 119.26 120.02 1o1k h ALA 69 Ca 0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1o1k h ALA 69 Cb 0.74 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1o1k h ALA 69 CO 0.06 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.29 1o1k h VAL 70 N 1.11 1.25 0.00 0.00 2.07 -0.93 -0.02 116.25 119.73 1o1k h VAL 70 Ca 0.24 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1o1k h VAL 70 Cb 0.30 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1o1k h VAL 70 CO -0.01 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1o1k n ALA 71 N -2.40 1.58 -2.52 1.67 0.00 -0.90 -2.90 120.51 115.03 1o1k n ALA 71 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1o1k n ALA 71 Cb 0.27 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.44 1o1k n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1k n HIS 72 N -2.05 1.13 0.18 0.00 8.25 -0.98 -4.90 115.22 116.86 1o1k n HIS 72 Ca 0.02 -1.73 0.16 0.00 -0.26 0.00 0.00 57.72 55.92 1o1k n HIS 72 Cb 0.19 -0.23 0.78 0.00 1.12 0.00 0.00 29.99 31.85 1o1k n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1o1k h VAL 73 N 4.98 0.58 -0.18 1.59 3.04 -0.87 0.05 116.25 125.44 1o1k h VAL 73 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1o1k h VAL 73 Cb 1.44 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1o1k h VAL 73 CO 0.25 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.28 1o1k n ASP 74 N -4.00 2.45 -2.66 3.17 8.00 -1.26 -4.08 116.55 118.18 1o1k n ASP 74 Ca 0.02 -2.28 -0.04 0.00 0.71 0.00 0.00 54.79 53.20 1o1k n ASP 74 Cb 0.34 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1o1k n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1o1k n ASP 75 N 0.20 -1.22 -0.18 -2.24 2.03 -0.03 -5.05 116.55 110.07 1o1k n ASP 75 Ca 0.09 -1.74 -0.09 0.00 0.52 0.00 0.00 54.79 53.57 1o1k n ASP 75 Cb 0.54 1.01 0.01 0.00 -0.72 0.00 0.00 41.12 41.96 1o1k n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1o1k h MET 76 N 1.28 0.85 -0.83 -0.67 2.86 -1.62 -2.66 114.93 114.14 1o1k h MET 76 Ca -0.55 -0.24 0.16 0.00 -2.06 0.00 0.00 59.70 57.01 1o1k h MET 76 Cb 1.24 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 1o1k h MET 76 CO -0.19 0.86 0.39 -1.35 1.06 0.00 0.00 176.91 177.67 1o1k h PRO 77 N 0.72 0.52 -0.08 -0.22 0.11 -1.94 0.14 132.00 131.24 1o1k h PRO 77 Ca 0.15 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.00 1o1k h PRO 77 Cb 0.44 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1o1k h PRO 77 CO 0.01 0.34 -0.86 -0.97 -0.21 0.00 0.00 178.00 176.32 1o1k h ASN 78 N 0.53 0.81 0.34 -2.05 -1.24 -1.96 -1.86 115.58 110.16 1o1k h ASN 78 Ca 0.46 -0.58 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 1o1k h ASN 78 Cb 0.71 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1o1k h ASN 78 CO -0.40 1.37 -0.25 0.00 -1.29 0.00 0.00 177.43 176.86 1o1k h ALA 79 N 0.60 1.43 -0.28 1.57 0.00 -0.87 -2.85 119.26 118.86 1o1k h ALA 79 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1o1k h ALA 79 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1o1k h ALA 79 CO 0.17 0.31 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1o1k n LEU 80 N -4.01 3.16 -0.19 0.00 4.77 0.37 -4.74 117.00 116.37 1o1k n LEU 80 Ca -0.02 -2.38 -0.02 0.00 -0.03 0.00 0.00 56.01 53.56 1o1k n LEU 80 Cb 0.32 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1o1k n LEU 80 CO 0.36 0.69 0.74 -1.28 -1.33 0.00 0.00 177.39 176.56 1o1k h SER 81 N 1.72 -0.60 -0.84 -1.43 0.87 -1.08 1.00 113.55 113.19 1o1k h SER 81 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1o1k h SER 81 Cb 0.96 0.38 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 1o1k h SER 81 CO 0.08 -0.21 0.48 0.00 -0.53 0.00 0.00 176.83 176.65 1o1k h ALA 82 N 1.50 1.07 -0.12 6.23 0.00 -1.85 -1.71 119.26 124.38 1o1k h ALA 82 Ca 0.27 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1o1k h ALA 82 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1o1k h ALA 82 CO -0.60 0.55 -0.57 -0.07 0.00 0.00 0.00 179.25 178.56 1o1k h LEU 83 N 1.15 0.42 -0.11 0.00 3.38 -1.65 -2.10 115.31 116.42 1o1k h LEU 83 Ca 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1o1k h LEU 83 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1o1k h LEU 83 CO -0.05 0.90 0.07 -1.28 0.09 0.00 0.00 178.44 178.16 1o1k h SER 84 N 0.28 0.12 -0.47 -0.43 0.87 -0.45 -0.76 113.55 112.72 1o1k h SER 84 Ca 0.00 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1o1k h SER 84 Cb 1.09 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 1o1k h SER 84 CO 0.10 0.11 0.28 0.44 -0.53 0.00 0.00 176.83 177.23 1o1k h ASP 85 N 0.12 0.44 -0.20 6.23 3.32 -1.23 -1.50 116.42 123.61 1o1k h ASP 85 Ca 0.04 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1o1k h ASP 85 Cb 0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1o1k h ASP 85 CO -0.01 0.32 0.05 0.25 -1.72 0.00 0.00 179.24 178.13 1o1k h LEU 86 N 0.55 0.03 -0.53 1.55 5.85 -1.03 0.17 115.31 121.91 1o1k h LEU 86 Ca 0.19 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 1o1k h LEU 86 Cb 0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1o1k h LEU 86 CO -0.09 0.05 -0.64 0.45 -0.34 0.00 0.00 178.44 177.87 1o1k h HIS 87 N 0.13 0.48 -0.20 1.25 3.86 -1.03 -1.70 115.15 117.94 1o1k h HIS 87 Ca 0.09 -0.19 -0.16 0.00 -1.16 0.00 0.00 60.37 58.95 1o1k h HIS 87 Cb 0.08 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1o1k h HIS 87 CO -0.13 0.90 -0.50 0.00 0.86 0.00 0.00 177.93 179.06 1o1k h ALA 88 N 1.05 0.33 0.00 2.45 0.00 -1.04 0.54 119.26 122.59 1o1k h ALA 88 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1o1k h ALA 88 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1o1k h ALA 88 CO 0.11 0.51 -2.02 0.72 0.00 0.00 0.00 179.25 178.57 1o1k n HIS 89 N -4.14 0.05 0.02 0.00 8.25 0.58 -4.54 115.22 115.44 1o1k n HIS 89 Ca -0.06 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1o1k n HIS 89 Cb 0.60 -0.60 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 1o1k n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1o1k n LYS 90 N -2.36 0.07 -0.07 -0.41 5.02 -0.71 -4.85 118.16 114.86 1o1k n LYS 90 Ca -0.08 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1o1k n LYS 90 Cb 0.66 -0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 35.14 1o1k n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1o1k h LEU 91 N -0.13 0.30 -1.50 -0.35 3.38 -1.49 -3.47 115.31 112.05 1o1k h LEU 91 Ca 0.00 -0.02 -0.45 0.00 0.09 0.00 0.00 57.88 57.49 1o1k h LEU 91 Cb 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1o1k h LEU 91 CO 0.00 0.23 -0.81 0.54 0.09 0.00 0.00 178.44 178.49 1o1k n ARG 92 N -4.90 -4.88 -2.42 1.13 1.74 0.19 -4.94 116.66 102.57 1o1k n ARG 92 Ca -0.02 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 1o1k n ARG 92 Cb 0.03 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.24 1o1k n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1o1k s VAL 93 N -3.57 4.00 0.31 1.55 1.01 -1.26 -4.97 120.40 117.47 1o1k s VAL 93 Ca 0.25 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1o1k s VAL 93 Cb -0.13 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 1o1k s VAL 93 CO 0.83 0.12 1.55 -0.67 0.00 0.00 0.00 175.10 176.93 1o1k n ASP 94 N 3.83 3.70 -0.31 3.32 -0.08 -1.26 -4.86 116.55 120.88 1o1k n ASP 94 Ca 0.09 1.16 0.21 0.00 -1.51 0.00 0.00 54.79 54.74 1o1k n ASP 94 Cb 0.46 -1.58 0.49 0.00 2.34 0.00 0.00 41.12 42.84 1o1k n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1k h PRO 95 N 4.32 0.42 -0.80 -0.67 0.11 -2.00 -1.69 132.00 131.69 1o1k h PRO 95 Ca -0.47 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.77 1o1k h PRO 95 Cb 1.23 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1o1k h PRO 95 CO 0.76 0.28 0.53 -0.39 -0.21 0.00 0.00 178.00 178.96 1o1k h VAL 96 N 0.43 0.77 0.00 3.15 -1.51 -2.03 -2.00 116.25 115.05 1o1k h VAL 96 Ca 0.57 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.87 1o1k h VAL 96 Cb 1.40 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1o1k h VAL 96 CO -0.28 0.08 -0.12 0.78 -1.23 0.00 0.00 177.57 176.79 1o1k h ASN 97 N 0.43 0.00 0.35 4.19 2.35 -1.66 -2.71 115.58 118.52 1o1k h ASN 97 Ca 0.40 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 1o1k h ASN 97 Cb 0.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1o1k h ASN 97 CO -0.14 0.12 -0.26 -0.26 -1.65 0.00 0.00 177.43 175.25 1o1k h PHE 98 N 0.00 0.00 -0.00 1.19 -1.00 -1.53 -2.29 116.94 113.30 1o1k h PHE 98 Ca -0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1o1k h PHE 98 Cb 0.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 1o1k h PHE 98 CO 0.00 0.26 -0.63 0.87 -1.61 0.00 0.00 178.31 177.20 1o1k h LYS 99 N 0.00 0.02 -0.39 1.51 1.57 -1.64 -2.09 116.57 115.55 1o1k h LYS 99 Ca -0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1o1k h LYS 99 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1o1k h LYS 99 CO 0.03 0.64 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.27 1o1k h LEU 100 N 0.01 0.86 -0.25 2.94 3.38 -1.51 -1.86 115.31 118.89 1o1k h LEU 100 Ca -0.01 -0.42 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 1o1k h LEU 100 Cb 1.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1o1k h LEU 100 CO 0.08 1.09 -0.47 0.25 0.09 0.00 0.00 178.44 179.48 1o1k h LEU 101 N 0.64 0.84 -0.47 1.67 5.85 -1.46 -2.24 115.31 120.13 1o1k h LEU 101 Ca 0.08 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1o1k h LEU 101 Cb 0.78 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1o1k h LEU 101 CO 0.06 1.23 0.20 0.28 -0.34 0.00 0.00 178.44 179.87 1o1k h SER 102 N 0.50 0.26 -0.38 1.25 0.02 -1.36 0.20 113.55 114.04 1o1k h SER 102 Ca 0.01 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1o1k h SER 102 Cb 1.08 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1o1k h SER 102 CO 0.11 0.19 0.19 -0.74 -1.14 0.00 0.00 176.83 175.43 1o1k h HIS 103 N 0.41 0.35 0.00 3.45 -0.00 -1.28 -0.87 115.15 117.20 1o1k h HIS 103 Ca 0.22 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1o1k h HIS 103 Cb 0.17 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1o1k h HIS 103 CO -0.13 0.18 -0.29 0.00 -0.00 0.00 0.00 177.93 177.69 1o1k h LEU 105 N 0.00 0.87 -0.51 0.00 3.38 -0.05 -1.34 115.31 117.66 1o1k h LEU 105 Ca -0.00 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1o1k h LEU 105 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1o1k h LEU 105 CO 0.04 1.24 -0.07 -0.07 0.09 0.00 0.00 178.44 179.67 1o1k h LEU 106 N 0.60 0.94 -0.73 1.67 3.38 -0.65 -0.66 115.31 119.86 1o1k h LEU 106 Ca 0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1o1k h LEU 106 Cb 1.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1o1k h LEU 106 CO 0.12 1.06 0.46 0.58 0.09 0.00 0.00 178.44 180.75 1o1k h VAL 107 N 0.81 1.20 -0.50 1.22 2.07 -1.09 0.19 116.25 120.15 1o1k h VAL 107 Ca 0.14 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1o1k h VAL 107 Cb 0.62 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1o1k h VAL 107 CO 0.04 0.20 0.18 0.74 0.02 0.00 0.00 177.57 178.75 1o1k h THR 108 N 1.00 1.22 -0.63 2.57 2.02 -0.90 -1.47 112.91 116.71 1o1k h THR 108 Ca 0.27 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1o1k h THR 108 Cb -0.07 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1o1k h THR 108 CO -0.05 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.10 1o1k h LEU 109 N 0.67 1.02 -0.85 2.58 3.38 -0.79 -2.78 115.31 118.54 1o1k h LEU 109 Ca 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1o1k h LEU 109 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1o1k h LEU 109 CO -0.01 1.03 0.54 0.00 0.09 0.00 0.00 178.44 180.09 1o1k h ALA 110 N 1.08 1.09 0.00 1.53 0.00 -0.62 0.20 119.26 122.53 1o1k h ALA 110 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1o1k h ALA 110 Cb 0.47 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1o1k h ALA 110 CO 0.02 0.52 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1o1k h ALA 111 N 1.29 1.01 0.00 0.00 0.00 -1.06 -3.29 119.26 117.22 1o1k h ALA 111 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1o1k h ALA 111 Cb -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1o1k h ALA 111 CO -0.06 0.10 -1.61 0.72 0.00 0.00 0.00 179.25 178.39 1o1k n HIS 112 N -3.20 0.00 -3.24 0.00 -0.00 -0.92 -4.76 115.22 103.10 1o1k n HIS 112 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1o1k n HIS 112 Cb 0.36 -0.31 -0.06 0.00 -0.00 0.00 0.00 29.99 29.98 1o1k n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1o1k n LEU 113 N -1.98 4.46 -0.23 2.41 4.77 0.67 -4.92 117.00 122.18 1o1k n LEU 113 Ca -0.03 -5.46 0.03 0.00 -0.03 0.00 0.00 56.01 50.52 1o1k n LEU 113 Cb 0.37 -0.76 0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1o1k n LEU 113 CO 0.28 2.06 0.98 1.55 -1.33 0.00 0.00 177.39 180.93 1o1k h PRO 114 N 4.15 0.38 0.11 3.23 0.13 -1.83 -1.88 132.00 136.28 1o1k h PRO 114 Ca 0.20 -0.02 -0.27 0.00 -0.87 0.00 0.00 66.00 65.04 1o1k h PRO 114 Cb 0.61 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1o1k h PRO 114 CO 0.93 0.25 -1.24 0.00 -0.23 0.00 0.00 178.00 177.71 1o1k h ALA 115 N 1.51 0.16 0.00 -0.56 0.00 -1.94 -3.36 119.26 115.06 1o1k h ALA 115 Ca 0.37 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1o1k h ALA 115 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1o1k h ALA 115 CO -0.39 1.04 -0.53 0.93 0.00 0.00 0.00 179.25 180.30 1o1k h GLU 116 N 0.06 0.00 -3.32 0.00 3.07 -1.93 -3.40 114.58 109.06 1o1k h GLU 116 Ca -0.13 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.05 1o1k h GLU 116 Cb 1.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.86 1o1k h GLU 116 CO 0.19 0.10 3.58 0.34 -1.40 0.00 0.00 179.01 181.82 1o1k n PHE 117 N -2.96 2.79 -1.96 4.33 7.35 -0.72 -4.74 117.46 121.54 1o1k n PHE 117 Ca 0.01 -3.05 -0.30 0.00 -0.76 0.00 0.00 57.45 53.35 1o1k n PHE 117 Cb 0.60 -2.50 0.03 0.00 0.35 0.00 0.00 39.48 37.95 1o1k n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1k s THR 118 N 2.41 4.15 0.29 -2.13 -4.23 -1.26 -4.78 115.64 110.08 1o1k s THR 118 Ca 0.62 0.61 0.03 0.00 -1.18 0.00 0.00 61.69 61.77 1o1k s THR 118 Cb 0.17 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1o1k s THR 118 CO -0.07 -0.87 1.72 -0.65 -0.54 0.00 0.00 174.62 174.21 1o1k h PRO 119 N -0.41 0.48 -0.07 3.99 0.11 -1.99 0.14 132.00 134.24 1o1k h PRO 119 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1o1k h PRO 119 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1o1k h PRO 119 CO 0.63 0.32 0.02 0.00 -0.21 0.00 0.00 178.00 178.76 1o1k h ALA 120 N 1.67 0.09 -0.87 -0.75 0.00 -1.96 -1.71 119.26 115.73 1o1k h ALA 120 Ca 0.55 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1o1k h ALA 120 Cb 0.97 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1o1k h ALA 120 CO -0.47 -0.31 0.57 0.28 0.00 0.00 0.00 179.25 179.32 1o1k h VAL 121 N -0.07 1.23 -0.49 0.00 2.07 -1.60 -1.21 116.25 116.17 1o1k h VAL 121 Ca 0.02 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1o1k h VAL 121 Cb 0.20 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 1o1k h VAL 121 CO -0.00 0.22 0.18 -0.74 0.02 0.00 0.00 177.57 177.25 1o1k h HIS 122 N 1.19 0.31 -0.44 1.57 6.17 -0.57 0.15 115.15 123.52 1o1k h HIS 122 Ca 0.32 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.38 1o1k h HIS 122 Cb -0.12 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 29.73 1o1k h HIS 122 CO -0.01 0.10 0.09 0.00 0.71 0.00 0.00 177.93 178.83 1o1k h ALA 123 N 1.33 0.59 -0.49 5.26 0.00 -0.54 -1.98 119.26 123.42 1o1k h ALA 123 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1o1k h ALA 123 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1o1k h ALA 123 CO -0.24 0.29 -0.09 0.77 0.00 0.00 0.00 179.25 179.98 1o1k h SER 124 N 0.59 0.87 -0.00 0.00 0.02 -0.72 -2.26 113.55 112.05 1o1k h SER 124 Ca 0.14 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1o1k h SER 124 Cb 0.35 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1o1k h SER 124 CO 0.00 0.98 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.30 1o1k h LEU 125 N 0.80 0.46 -0.40 5.07 3.38 -0.89 0.11 115.31 123.84 1o1k h LEU 125 Ca 0.13 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1o1k h LEU 125 Cb 0.60 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1o1k h LEU 125 CO 0.04 0.75 -0.15 -0.78 0.09 0.00 0.00 178.44 178.39 1o1k h ASP 126 N 0.39 0.82 -0.61 -0.43 3.58 -1.13 -1.54 116.42 117.50 1o1k h ASP 126 Ca 0.05 -0.39 -0.09 0.00 0.42 0.00 0.00 57.03 57.02 1o1k h ASP 126 Cb 0.73 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1o1k h ASP 126 CO 0.06 1.02 0.03 0.11 -2.88 0.00 0.00 179.24 177.58 1o1k h LYS 127 N 0.61 1.06 -0.12 0.28 1.57 -1.21 -1.87 116.57 116.90 1o1k h LYS 127 Ca 0.09 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1o1k h LYS 127 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1o1k h LYS 127 CO 0.05 1.02 0.08 0.35 -0.57 0.00 0.00 179.45 180.38 1o1k h PHE 128 N 0.97 0.16 -0.15 -1.35 3.57 -0.76 -0.46 116.94 118.92 1o1k h PHE 128 Ca 0.18 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1o1k h PHE 128 Cb 0.52 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1o1k h PHE 128 CO 0.04 0.13 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.98 1o1k h LEU 129 N 0.15 0.24 -0.60 0.59 3.38 -1.22 -0.83 115.31 117.03 1o1k h LEU 129 Ca 0.05 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1o1k h LEU 129 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1o1k h LEU 129 CO -0.01 0.46 -0.31 0.00 0.09 0.00 0.00 178.44 178.67 1o1k h ALA 130 N 1.57 0.78 -0.53 1.53 0.00 -0.99 -0.09 119.26 121.53 1o1k h ALA 130 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1o1k h ALA 130 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1o1k h ALA 130 CO 0.03 0.65 -0.13 0.77 0.00 0.00 0.00 179.25 180.58 1o1k h SER 131 N 0.66 1.03 -0.27 0.00 0.02 -0.52 -0.90 113.55 113.56 1o1k h SER 131 Ca 0.07 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1o1k h SER 131 Cb 0.84 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1o1k h SER 131 CO 0.07 1.15 0.11 0.58 -1.14 0.00 0.00 176.83 177.60 1o1k h VAL 132 N 0.90 1.17 -0.66 2.27 2.07 -0.92 -1.42 116.25 119.66 1o1k h VAL 132 Ca 0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1o1k h VAL 132 Cb 0.70 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1o1k h VAL 132 CO 0.05 0.17 0.35 0.28 0.02 0.00 0.00 177.57 178.45 1o1k h SER 133 N 0.29 0.82 -0.44 0.57 0.02 -0.85 -0.92 113.55 113.05 1o1k h SER 133 Ca 0.09 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1o1k h SER 133 Cb 0.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1o1k h SER 133 CO -0.01 0.67 -0.11 0.74 -1.14 0.00 0.00 176.83 176.99 1o1k h THR 134 N 0.93 1.26 -0.23 -2.27 2.02 -0.86 -2.64 112.91 111.12 1o1k h THR 134 Ca 0.23 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1o1k h THR 134 Cb 0.04 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1o1k h THR 134 CO -0.04 0.43 -0.09 0.58 0.37 0.00 0.00 175.52 176.77 1o1k h VAL 135 N 0.81 1.30 0.00 3.16 2.07 -0.68 -2.20 116.25 120.71 1o1k h VAL 135 Ca 0.13 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1o1k h VAL 135 Cb 0.63 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1o1k h VAL 135 CO 0.04 0.35 0.00 -0.07 0.02 0.00 0.00 177.57 177.91 1o1k h LEU 136 N 0.20 0.00 -1.89 2.57 3.38 -1.06 -2.66 115.31 115.84 1o1k h LEU 136 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o1k h LEU 136 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1o1k h LEU 136 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1o1k n THR 137 N -2.84 0.37 0.26 0.22 -2.24 -1.01 -4.53 114.28 104.52 1o1k n THR 137 Ca -0.01 -0.68 0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1o1k n THR 137 Cb 0.16 0.92 0.69 0.00 -2.10 0.00 0.00 70.33 69.99 1o1k n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1o1k h SER 138 N 1.47 0.00 -0.67 3.42 4.64 -1.02 -2.82 113.55 118.57 1o1k h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o1k h SER 138 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1o1k h SER 138 CO 0.00 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1o1k n LYS 139 N -4.10 3.58 -0.14 4.77 5.02 -1.26 -4.55 118.16 121.48 1o1k n LYS 139 Ca -0.03 -2.85 -0.03 0.00 -2.02 0.00 0.00 58.31 53.39 1o1k n LYS 139 Cb 0.17 -1.85 0.18 0.00 -0.02 0.00 0.00 35.03 33.51 1o1k n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1o1k h TYR 140 N 4.17 0.89 0.00 2.13 -1.99 -1.83 -3.46 116.97 116.88 1o1k h TYR 140 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1o1k h TYR 140 Cb 1.38 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1o1k h TYR 140 CO 0.73 0.74 0.00 0.54 -0.00 0.00 0.00 178.16 180.17