#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1k s LEU 2 N 0.00 4.23 0.78 1.04 1.43 -1.26 -5.06 118.68 119.84 3d1k s LEU 2 Ca 0.00 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 3d1k s LEU 2 Cb 0.00 -3.23 0.09 0.00 0.03 0.00 0.00 46.19 43.08 3d1k s LEU 2 CO 0.00 -0.31 1.12 -0.94 0.23 0.00 0.00 176.35 176.45 3d1k s SER 3 N 1.05 4.44 0.34 2.29 1.04 -1.26 -4.87 113.70 116.72 3d1k s SER 3 Ca 0.40 0.53 0.03 0.00 0.48 0.00 0.00 55.95 57.38 3d1k s SER 3 Cb -0.17 -1.02 0.64 0.00 0.10 0.00 0.00 66.02 65.57 3d1k s SER 3 CO 0.16 -1.89 1.95 0.44 0.98 0.00 0.00 173.24 174.88 3d1k h ASP 4 N -0.93 0.77 -0.48 7.02 3.45 -1.99 -0.95 116.42 123.31 3d1k h ASP 4 Ca -0.45 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 3d1k h ASP 4 Cb 1.31 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.89 3d1k h ASP 4 CO 0.59 0.51 0.19 0.50 -1.57 0.00 0.00 179.24 179.46 3d1k h LYS 5 N 0.88 0.71 -0.64 3.56 3.64 -1.99 -1.05 116.57 121.68 3d1k h LYS 5 Ca 0.32 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3d1k h LYS 5 Cb 0.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3d1k h LYS 5 CO -0.10 0.64 0.25 -0.44 -2.27 0.00 0.00 179.45 177.53 3d1k h ASP 6 N 0.63 0.89 -0.54 4.20 3.45 -1.70 -1.52 116.42 121.82 3d1k h ASP 6 Ca 0.16 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 3d1k h ASP 6 Cb 0.20 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3d1k h ASP 6 CO -0.01 0.83 0.21 0.11 -1.57 0.00 0.00 179.24 178.80 3d1k h LYS 7 N 0.90 0.81 -0.58 3.56 1.57 -0.92 -0.08 116.57 121.82 3d1k h LYS 7 Ca 0.21 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3d1k h LYS 7 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3d1k h LYS 7 CO -0.02 0.71 0.07 0.00 -0.57 0.00 0.00 179.45 179.65 3d1k h ALA 8 N 1.06 1.03 -0.56 3.86 0.00 -1.05 -0.69 119.26 122.91 3d1k h ALA 8 Ca 0.18 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3d1k h ALA 8 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d1k h ALA 8 CO -0.01 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 3d1k h ALA 9 N 1.18 0.76 -0.30 0.00 0.00 -0.80 0.36 119.26 120.45 3d1k h ALA 9 Ca 0.18 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3d1k h ALA 9 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3d1k h ALA 9 CO 0.01 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.12 3d1k h VAL 10 N 0.90 1.27 -0.71 0.00 2.07 -0.81 -0.69 116.25 118.27 3d1k h VAL 10 Ca 0.15 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3d1k h VAL 10 Cb 0.60 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3d1k h VAL 10 CO 0.04 0.34 0.44 0.03 0.02 0.00 0.00 177.57 178.43 3d1k h ARG 11 N 0.34 0.96 -0.53 1.57 3.08 -0.99 -0.71 114.38 118.09 3d1k h ARG 11 Ca 0.08 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3d1k h ARG 11 Cb 0.52 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3d1k h ARG 11 CO 0.02 0.68 -0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3d1k h ALA 12 N 1.23 0.73 -0.25 0.04 0.00 -0.75 0.23 119.26 120.49 3d1k h ALA 12 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3d1k h ALA 12 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d1k h ALA 12 CO -0.05 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.20 3d1k h LEU 13 N 0.89 0.35 -1.19 0.00 5.85 -0.91 -2.64 115.31 117.66 3d1k h LEU 13 Ca 0.14 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3d1k h LEU 13 Cb 0.67 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3d1k h LEU 13 CO 0.05 0.42 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.24 3d1k h TRP 14 N 0.26 0.49 -0.62 1.25 2.91 -1.04 -0.36 115.95 118.84 3d1k h TRP 14 Ca 0.08 -0.06 0.05 0.00 1.13 0.00 0.00 58.89 60.09 3d1k h TRP 14 Cb 0.18 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.65 3d1k h TRP 14 CO -0.01 0.54 0.41 1.03 -1.03 0.00 0.00 178.44 179.39 3d1k h SER 15 N 0.44 0.59 0.34 2.65 0.87 -0.73 0.20 113.55 117.92 3d1k h SER 15 Ca 0.09 -0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 3d1k h SER 15 Cb 0.42 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3d1k h SER 15 CO 0.02 0.40 -1.49 0.11 -0.53 0.00 0.00 176.83 175.34 3d1k h LYS 16 N 0.68 0.44 0.00 2.24 1.57 -0.85 -3.40 116.57 117.25 3d1k h LYS 16 Ca 0.26 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d1k h LYS 16 Cb 0.17 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3d1k h LYS 16 CO -0.08 1.35 -1.04 0.44 -0.57 0.00 0.00 179.45 179.55 3d1k n ILE 17 N -3.63 0.00 0.29 1.86 -5.35 -0.28 -4.48 119.36 107.76 3d1k n ILE 17 Ca -0.16 -0.17 0.18 0.00 -0.27 0.00 0.00 62.75 62.33 3d1k n ILE 17 Cb 1.08 0.79 0.97 0.00 -1.74 0.00 0.00 39.64 40.74 3d1k n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3d1k h GLY 18 N 3.88 0.00 0.80 3.28 0.00 -0.81 -0.41 103.07 109.80 3d1k h GLY 18 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3d1k h GLY 18 CO 0.00 0.00 0.45 0.07 0.00 0.00 0.00 176.54 177.06 3d1k h LYS 19 N 0.00 0.00 -0.47 4.80 2.10 -1.81 -0.29 116.57 120.89 3d1k h LYS 19 Ca 0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.58 3d1k h LYS 19 Cb 0.22 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.49 3d1k h LYS 19 CO -0.00 0.00 0.08 0.43 -2.00 0.00 0.00 179.45 177.96 3d1k n SER 20 N -4.09 4.20 -0.26 7.07 7.64 -0.16 -4.74 113.62 123.29 3d1k n SER 20 Ca 0.10 -3.20 -0.02 0.00 1.01 0.00 0.00 58.87 56.76 3d1k n SER 20 Cb 0.67 -0.64 0.04 0.00 -1.01 0.00 0.00 64.21 63.27 3d1k n SER 20 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3d1k h SER 21 N 2.21 -1.08 -0.21 6.43 0.87 -1.16 0.06 113.55 120.68 3d1k h SER 21 Ca 0.12 0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.95 3d1k h SER 21 Cb 1.84 0.58 -0.02 0.00 -0.44 0.00 0.00 62.40 64.36 3d1k h SER 21 CO 0.45 -0.29 0.09 0.44 -0.53 0.00 0.00 176.83 176.99 3d1k h ASP 22 N -0.08 0.12 -0.67 6.23 3.45 -1.85 -0.74 116.42 122.87 3d1k h ASP 22 Ca 0.30 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.73 3d1k h ASP 22 Cb 0.57 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 3d1k h ASP 22 CO -0.77 0.10 0.26 0.00 -1.57 0.00 0.00 179.24 177.25 3d1k h ALA 23 N 1.12 0.88 -0.66 3.45 0.00 -1.71 -1.06 119.26 121.27 3d1k h ALA 23 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d1k h ALA 23 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3d1k h ALA 23 CO -0.08 0.51 0.41 0.82 0.00 0.00 0.00 179.25 180.91 3d1k h ILE 24 N 0.96 1.08 -0.41 0.00 2.04 -0.66 -1.27 117.51 119.25 3d1k h ILE 24 Ca 0.22 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 3d1k h ILE 24 Cb 0.22 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3d1k h ILE 24 CO -0.02 0.15 -0.08 1.23 0.00 0.00 0.00 178.15 179.43 3d1k h GLY 25 N 0.80 0.85 0.95 5.37 0.00 -0.71 0.63 103.07 110.97 3d1k h GLY 25 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.92 3d1k h GLY 25 CO -0.11 0.63 0.36 -0.57 0.00 0.00 0.00 176.54 176.86 3d1k h ASN 26 N 0.61 0.62 -0.31 0.19 -1.24 -1.01 -1.37 115.58 113.07 3d1k h ASN 26 Ca 0.11 -0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.96 3d1k h ASN 26 Cb 0.61 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 3d1k h ASN 26 CO 0.04 0.44 -0.37 -0.78 -1.29 0.00 0.00 177.43 175.47 3d1k h ASP 27 N 0.74 0.91 -0.36 1.15 -0.00 -1.03 -0.78 116.42 117.05 3d1k h ASP 27 Ca 0.22 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.03 56.81 3d1k h ASP 27 Cb -0.05 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.01 3d1k h ASP 27 CO -0.07 1.18 0.10 0.00 -0.00 0.00 0.00 179.24 180.46 3d1k h ALA 28 N 0.86 0.48 -0.48 -0.78 0.00 -0.68 -1.39 119.26 117.28 3d1k h ALA 28 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3d1k h ALA 28 Cb 0.94 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3d1k h ALA 28 CO 0.09 0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 179.26 3d1k h LEU 29 N 0.43 0.90 -0.31 0.00 3.38 -1.24 -0.24 115.31 118.24 3d1k h LEU 29 Ca 0.12 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3d1k h LEU 29 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3d1k h LEU 29 CO -0.00 1.04 0.10 0.28 0.09 0.00 0.00 178.44 179.94 3d1k h SER 30 N 0.80 0.09 -0.64 -0.43 0.02 -0.96 -1.16 113.55 111.28 3d1k h SER 30 Ca 0.12 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3d1k h SER 30 Cb 0.67 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3d1k h SER 30 CO 0.05 0.09 0.21 0.03 -1.14 0.00 0.00 176.83 176.07 3d1k h ARG 31 N 0.23 0.99 -0.34 3.45 3.08 -1.09 -2.55 114.38 118.13 3d1k h ARG 31 Ca 0.14 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3d1k h ARG 31 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3d1k h ARG 31 CO -0.15 0.86 0.18 1.98 -1.07 0.00 0.00 179.97 181.77 3d1k h MET 32 N 0.91 0.48 -0.28 0.04 4.05 -0.55 0.65 114.93 120.23 3d1k h MET 32 Ca 0.21 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 3d1k h MET 32 Cb 0.28 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3d1k h MET 32 CO -0.01 0.42 -0.16 0.82 0.23 0.00 0.00 176.91 178.21 3d1k h ILE 33 N 0.43 1.24 0.09 1.77 2.04 -1.07 -0.23 117.51 121.78 3d1k h ILE 33 Ca 0.12 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.77 3d1k h ILE 33 Cb 0.08 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3d1k h ILE 33 CO -0.02 0.35 -0.54 0.58 0.00 0.00 0.00 178.15 178.52 3d1k h VAL 34 N 0.45 1.61 0.00 1.67 2.07 -1.16 -3.28 116.25 117.60 3d1k h VAL 34 Ca 0.08 -2.47 -0.20 0.00 0.82 0.00 0.00 66.70 64.93 3d1k h VAL 34 Cb 0.54 3.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 3d1k h VAL 34 CO 0.03 0.68 -0.94 0.58 0.02 0.00 0.00 177.57 177.94 3d1k h VAL 35 N -0.58 1.61 -2.28 2.57 2.07 -0.89 -3.37 116.25 115.38 3d1k h VAL 35 Ca -0.09 -3.28 -0.59 0.00 0.82 0.00 0.00 66.70 63.55 3d1k h VAL 35 Cb 1.43 2.80 -0.41 0.00 -1.52 0.00 0.00 31.29 33.58 3d1k h VAL 35 CO 0.10 0.92 -0.70 -1.22 0.02 0.00 0.00 177.57 176.69 3d1k n TYR 36 N -3.33 2.67 0.20 1.57 4.02 -0.10 -4.97 117.16 117.21 3d1k n TYR 36 Ca 0.00 -4.03 0.13 0.00 -0.01 0.00 0.00 57.90 53.99 3d1k n TYR 36 Cb 0.92 -0.50 0.69 0.00 -0.02 0.00 0.00 39.34 40.43 3d1k n TYR 36 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3d1k h PRO 37 N 4.36 0.00 -0.00 -0.72 0.13 -1.73 -0.15 132.00 133.88 3d1k h PRO 37 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3d1k h PRO 37 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3d1k h PRO 37 CO 0.73 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.95 3d1k h GLN 38 N 0.00 0.00 0.00 0.86 3.07 -1.91 -1.77 115.11 115.36 3d1k h GLN 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3d1k h GLN 38 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 3d1k h GLN 38 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.83 180.71 3d1k h THR 39 N 0.00 0.00 -0.32 1.86 1.35 -1.32 -3.34 112.91 111.13 3d1k h THR 39 Ca 0.00 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 3d1k h THR 39 Cb 0.01 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 3d1k h THR 39 CO -0.00 0.00 0.16 0.50 -0.25 0.00 0.00 175.52 175.93 3d1k h LYS 40 N 0.00 0.44 -0.84 4.72 3.64 -1.49 -2.65 116.57 120.40 3d1k h LYS 40 Ca 0.00 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.51 3d1k h LYS 40 Cb 0.83 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 3d1k h LYS 40 CO 0.00 0.34 0.55 0.97 -2.27 0.00 0.00 179.45 179.05 3d1k h ILE 41 N 0.44 0.76 0.00 2.00 6.09 -1.77 -0.79 117.51 124.25 3d1k h ILE 41 Ca 0.11 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.44 3d1k h ILE 41 Cb 0.05 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 37.58 3d1k h ILE 41 CO -0.02 0.09 -0.03 1.88 -3.07 0.00 0.00 178.15 177.00 3d1k h TYR 42 N 0.47 0.00 -0.21 2.19 0.05 -1.75 -2.61 116.97 115.11 3d1k h TYR 42 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 3d1k h TYR 42 Cb 0.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3d1k h TYR 42 CO -0.00 0.03 0.00 1.19 -1.05 0.00 0.00 178.16 178.33 3d1k n PHE 43 N -3.21 0.27 0.38 4.88 3.01 -0.32 -4.70 117.46 117.77 3d1k n PHE 43 Ca -0.01 -0.25 0.09 0.00 1.01 0.00 0.00 57.45 58.29 3d1k n PHE 43 Cb 0.22 -0.01 0.37 0.00 -0.01 0.00 0.00 39.48 40.06 3d1k n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3d1k n SER 44 N 0.70 0.31 0.14 4.37 3.41 -0.99 -1.19 113.62 120.38 3d1k n SER 44 Ca 0.10 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 3d1k n SER 44 Cb 0.39 -0.65 0.45 0.00 -0.26 0.00 0.00 64.21 64.14 3d1k n SER 44 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3d1k h HIS 45 N 0.00 0.00 -4.09 7.33 2.07 -1.84 -3.45 115.15 115.18 3d1k h HIS 45 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3d1k h HIS 45 Cb 0.25 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.28 3d1k h HIS 45 CO 0.00 0.00 0.41 -1.58 -3.07 0.00 0.00 177.93 173.69 3d1k s TRP 46 N -3.25 2.84 0.26 6.12 0.51 -0.33 -4.93 118.94 120.16 3d1k s TRP 46 Ca 0.07 1.56 0.37 0.00 -2.12 0.00 0.00 56.10 55.97 3d1k s TRP 46 Cb 0.10 -3.17 1.73 0.00 -0.81 0.00 0.00 33.47 31.32 3d1k s TRP 46 CO 0.51 -1.20 2.10 -1.35 -0.51 0.00 0.00 176.95 176.51 3d1k h PRO 47 N 1.32 0.00 -2.86 4.98 0.11 -1.89 -3.41 132.00 130.26 3d1k h PRO 47 Ca -0.50 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 3d1k h PRO 47 Cb 1.24 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 3d1k h PRO 47 CO 0.58 0.00 -0.61 0.34 -0.21 0.00 0.00 178.00 178.10 3d1k s ASP 48 N -5.33 0.89 -0.09 -2.05 -1.08 -1.26 -4.99 116.67 102.76 3d1k s ASP 48 Ca -0.01 0.20 0.13 0.00 -0.52 0.00 0.00 52.55 52.35 3d1k s ASP 48 Cb 0.10 0.40 0.23 0.00 -1.46 0.00 0.00 42.92 42.19 3d1k s ASP 48 CO 0.47 -0.27 1.13 1.33 0.52 0.00 0.00 175.17 178.35 3d1k n VAL 49 N 5.33 1.64 -2.75 1.11 0.24 -1.26 -4.46 118.33 118.18 3d1k n VAL 49 Ca -0.05 -1.84 -0.26 0.00 -2.04 0.00 0.00 64.34 60.15 3d1k n VAL 49 Cb 0.50 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3d1k n VAL 49 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3d1k s THR 50 N -2.28 4.59 0.22 3.34 -4.23 -1.26 -4.96 115.64 111.06 3d1k s THR 50 Ca 0.24 -0.03 -0.32 0.00 -1.18 0.00 0.00 61.69 60.40 3d1k s THR 50 Cb 0.20 -3.74 -0.14 0.00 1.34 0.00 0.00 72.50 70.16 3d1k s THR 50 CO 0.03 -0.67 1.37 -2.65 -0.54 0.00 0.00 174.62 172.16 3d1k n PRO 51 N -2.22 1.84 -0.38 3.99 -0.02 -1.26 -1.02 135.00 135.92 3d1k n PRO 51 Ca 0.01 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3d1k n PRO 51 Cb 0.56 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3d1k n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d1k n GLY 52 N 2.22 0.80 3.69 -1.23 0.00 -1.26 -5.03 105.19 104.39 3d1k n GLY 52 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3d1k n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d1k n SER 53 N 0.00 2.90 0.26 1.61 2.88 -0.19 -4.89 113.62 116.19 3d1k n SER 53 Ca 0.00 1.17 0.15 0.00 -1.33 0.00 0.00 58.87 58.86 3d1k n SER 53 Cb 0.00 -1.47 0.62 0.00 -0.75 0.00 0.00 64.21 62.61 3d1k n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3d1k h PRO 54 N 3.55 0.00 -0.16 -1.46 0.13 -1.90 -1.40 132.00 130.75 3d1k h PRO 54 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 3d1k h PRO 54 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3d1k h PRO 54 CO 0.70 0.08 -0.50 -0.91 -0.23 0.00 0.00 178.00 177.15 3d1k h ASN 55 N 0.00 0.71 -0.68 1.44 4.21 -1.90 -0.87 115.58 118.50 3d1k h ASN 55 Ca -0.00 -0.60 -0.03 0.00 1.21 0.00 0.00 56.30 56.88 3d1k h ASN 55 Cb 0.57 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 3d1k h ASN 55 CO 0.01 1.19 0.29 0.40 -1.29 0.00 0.00 177.43 178.03 3d1k h ILE 56 N 0.28 1.24 -0.52 2.81 2.04 -1.71 0.05 117.51 121.70 3d1k h ILE 56 Ca -0.02 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3d1k h ILE 56 Cb 1.12 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3d1k h ILE 56 CO 0.11 0.29 0.21 0.50 0.00 0.00 0.00 178.15 179.26 3d1k h LYS 57 N 0.95 0.78 -0.57 2.37 3.64 -1.14 0.92 116.57 123.52 3d1k h LYS 57 Ca 0.23 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3d1k h LYS 57 Cb 0.17 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3d1k h LYS 57 CO -0.02 0.68 0.19 0.00 -2.27 0.00 0.00 179.45 178.03 3d1k h ALA 58 N 1.06 0.75 -0.07 5.00 0.00 -0.94 -2.67 119.26 122.38 3d1k h ALA 58 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d1k h ALA 58 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3d1k h ALA 58 CO -0.02 0.40 -0.50 1.25 0.00 0.00 0.00 179.25 180.39 3d1k h HIS 59 N 0.80 0.22 -0.19 0.00 -0.00 -0.78 -2.63 115.15 112.57 3d1k h HIS 59 Ca 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3d1k h HIS 59 Cb 0.26 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 3d1k h HIS 59 CO 0.02 0.64 0.07 0.78 -0.00 0.00 0.00 177.93 179.44 3d1k h GLY 60 N 1.38 0.27 1.04 5.26 0.00 -0.48 -0.16 103.07 110.38 3d1k h GLY 60 Ca 0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3d1k h GLY 60 CO 0.07 0.11 0.12 0.50 0.00 0.00 0.00 176.54 177.35 3d1k h LYS 61 N 0.26 1.03 -0.44 4.80 1.57 -1.24 -2.52 116.57 120.02 3d1k h LYS 61 Ca 0.07 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3d1k h LYS 61 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3d1k h LYS 61 CO -0.01 0.95 0.01 0.87 -0.57 0.00 0.00 179.45 180.70 3d1k h LYS 62 N 0.95 0.78 -0.31 3.15 1.57 -1.05 -1.37 116.57 120.27 3d1k h LYS 62 Ca 0.19 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3d1k h LYS 62 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3d1k h LYS 62 CO 0.01 0.84 0.17 0.28 -0.57 0.00 0.00 179.45 180.18 3d1k h VAL 63 N 0.62 1.02 0.00 0.50 2.07 -1.06 -0.27 116.25 119.13 3d1k h VAL 63 Ca 0.13 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3d1k h VAL 63 Cb 0.48 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3d1k h VAL 63 CO 0.02 0.07 -0.15 0.24 0.02 0.00 0.00 177.57 177.77 3d1k h MET 64 N 0.36 0.00 -0.31 1.57 2.86 -1.38 -0.52 114.93 117.50 3d1k h MET 64 Ca 0.13 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3d1k h MET 64 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3d1k h MET 64 CO -0.07 0.15 -0.15 0.78 1.06 0.00 0.00 176.91 178.68 3d1k h GLY 65 N 2.97 0.59 1.22 8.32 0.00 -0.39 0.12 103.07 115.90 3d1k h GLY 65 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3d1k h GLY 65 CO 0.02 0.40 -0.10 -1.33 0.00 0.00 0.00 176.54 175.52 3d1k h GLY 66 N 0.96 0.99 0.99 4.60 0.00 0.47 -0.17 103.07 110.91 3d1k h GLY 66 Ca 0.09 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 3d1k h GLY 66 CO 0.03 0.71 0.08 -2.22 0.00 0.00 0.00 176.54 175.14 3d1k h ILE 67 N 0.82 1.25 -0.91 2.60 1.08 -0.88 0.00 117.51 121.48 3d1k h ILE 67 Ca 0.13 -0.94 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3d1k h ILE 67 Cb 0.63 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 3d1k h ILE 67 CO 0.04 0.34 0.55 0.00 -0.69 0.00 0.00 178.15 178.39 3d1k h ALA 68 N 0.97 1.26 -0.54 1.87 0.00 -0.54 -0.21 119.26 122.06 3d1k h ALA 68 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3d1k h ALA 68 Cb 0.40 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3d1k h ALA 68 CO 0.01 0.64 0.27 1.25 0.00 0.00 0.00 179.25 181.42 3d1k h LEU 69 N 1.26 0.70 -1.17 0.00 5.85 -0.69 -0.97 115.31 120.30 3d1k h LEU 69 Ca 0.33 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3d1k h LEU 69 Cb -0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3d1k h LEU 69 CO -0.06 0.62 0.37 0.00 -0.34 0.00 0.00 178.44 179.03 3d1k h ALA 70 N 1.11 1.36 -0.49 1.25 0.00 -0.14 0.51 119.26 122.86 3d1k h ALA 70 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3d1k h ALA 70 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3d1k h ALA 70 CO -0.03 0.52 0.24 0.28 0.00 0.00 0.00 179.25 180.26 3d1k h VAL 71 N 0.96 1.19 -0.37 0.00 2.07 -0.65 -0.87 116.25 118.57 3d1k h VAL 71 Ca 0.24 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3d1k h VAL 71 Cb 0.03 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3d1k h VAL 71 CO -0.04 0.21 0.11 0.28 0.02 0.00 0.00 177.57 178.15 3d1k h SER 72 N 0.64 0.48 -0.55 0.57 0.02 -0.24 -2.53 113.55 111.94 3d1k h SER 72 Ca 0.17 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3d1k h SER 72 Cb 0.11 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3d1k h SER 72 CO -0.02 0.47 0.02 0.29 -1.14 0.00 0.00 176.83 176.44 3d1k n LYS 73 N -4.36 4.59 0.32 3.45 4.76 0.08 -4.61 118.16 122.38 3d1k n LYS 73 Ca 0.02 -2.94 0.20 0.00 -2.87 0.00 0.00 58.31 52.72 3d1k n LYS 73 Cb 0.17 -2.22 1.08 0.00 -1.84 0.00 0.00 35.03 32.22 3d1k n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 3d1k h ILE 74 N 3.65 0.21 0.00 -0.18 2.10 -0.72 0.52 117.51 123.09 3d1k h ILE 74 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.96 3d1k h ILE 74 Cb 1.91 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 3d1k h ILE 74 CO 0.48 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.99 3d1k h ASP 75 N 0.00 0.00 -1.09 2.19 3.32 -1.86 -3.39 116.42 115.59 3d1k h ASP 75 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.88 3d1k h ASP 75 Cb 0.05 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.43 3d1k h ASP 75 CO -0.00 0.00 -0.52 -0.62 -1.72 0.00 0.00 179.24 176.38 3d1k s ASP 76 N -4.71 -1.26 0.29 6.45 2.15 0.16 -5.01 116.67 114.73 3d1k s ASP 76 Ca 0.08 -1.80 0.10 0.00 0.43 0.00 0.00 52.55 51.36 3d1k s ASP 76 Cb 0.10 1.75 0.42 0.00 -0.30 0.00 0.00 42.92 44.89 3d1k s ASP 76 CO 0.55 -0.06 1.65 -0.07 -0.17 0.00 0.00 175.17 177.06 3d1k h LEU 77 N 5.10 0.05 0.16 -1.34 3.38 -1.74 -1.34 115.31 119.57 3d1k h LEU 77 Ca 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3d1k h LEU 77 Cb 1.10 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3d1k h LEU 77 CO 0.04 0.60 -0.17 0.50 0.09 0.00 0.00 178.44 179.49 3d1k h LYS 78 N 0.03 -0.35 -0.37 1.13 3.64 -1.90 0.15 116.57 118.90 3d1k h LYS 78 Ca -0.00 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 3d1k h LYS 78 Cb 1.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3d1k h LYS 78 CO 0.08 -0.23 -0.33 1.15 -2.27 0.00 0.00 179.45 177.84 3d1k h THR 79 N -0.36 1.28 -0.35 1.00 2.02 -1.93 -2.39 112.91 112.19 3d1k h THR 79 Ca 0.00 -1.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.63 3d1k h THR 79 Cb 0.35 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3d1k h THR 79 CO -0.05 0.50 -0.03 1.23 0.37 0.00 0.00 175.52 177.54 3d1k h GLY 80 N 0.69 0.59 -1.97 2.16 0.00 -0.98 -3.02 103.07 100.54 3d1k h GLY 80 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3d1k h GLY 80 CO 0.08 0.34 0.00 1.04 0.00 0.00 0.00 176.54 178.00 3d1k n LEU 81 N -4.26 3.58 -0.21 3.11 4.77 0.02 -4.67 117.00 119.34 3d1k n LEU 81 Ca 0.01 -2.16 -0.00 0.00 -0.03 0.00 0.00 56.01 53.84 3d1k n LEU 81 Cb 0.27 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.08 3d1k n LEU 81 CO 0.39 0.81 1.01 -0.03 -1.33 0.00 0.00 177.39 178.25 3d1k h MET 82 N 2.96 0.46 -0.50 3.23 4.05 -1.29 0.12 114.93 123.95 3d1k h MET 82 Ca 0.00 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 3d1k h MET 82 Cb 0.97 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 3d1k h MET 82 CO 0.05 0.30 -0.07 0.93 0.23 0.00 0.00 176.91 178.36 3d1k h GLU 83 N 0.47 0.90 -0.08 0.39 5.08 -1.84 -0.49 114.58 119.02 3d1k h GLU 83 Ca 0.30 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3d1k h GLU 83 Cb 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3d1k h GLU 83 CO -0.27 0.93 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.15 3d1k h LEU 84 N 0.81 0.20 -0.32 1.33 3.38 -1.65 -1.39 115.31 117.66 3d1k h LEU 84 Ca 0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3d1k h LEU 84 Cb 0.58 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3d1k h LEU 84 CO 0.04 0.63 0.04 -1.28 0.09 0.00 0.00 178.44 177.95 3d1k h SER 85 N 0.15 0.52 -0.90 -0.43 0.87 -0.29 -1.45 113.55 112.03 3d1k h SER 85 Ca 0.01 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3d1k h SER 85 Cb 0.86 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 3d1k h SER 85 CO 0.07 0.67 0.59 -0.08 -0.53 0.00 0.00 176.83 177.55 3d1k h GLU 86 N 0.36 1.17 -0.18 2.24 4.57 -0.82 0.12 114.58 122.04 3d1k h GLU 86 Ca 0.10 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3d1k h GLU 86 Cb 0.37 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3d1k h GLU 86 CO 0.01 0.77 0.09 0.37 -1.18 0.00 0.00 179.01 179.07 3d1k h GLN 87 N 1.20 0.26 -0.08 1.92 4.15 -1.05 0.03 115.11 121.54 3d1k h GLN 87 Ca 0.33 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.55 3d1k h GLN 87 Cb -0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 3d1k h GLN 87 CO -0.08 0.29 -0.65 0.45 -1.93 0.00 0.00 178.83 176.91 3d1k h HIS 88 N 0.17 0.43 0.08 3.99 3.86 -0.92 0.38 115.15 123.15 3d1k h HIS 88 Ca 0.06 -0.18 -0.21 0.00 -1.16 0.00 0.00 60.37 58.89 3d1k h HIS 88 Cb 0.11 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 28.53 3d1k h HIS 88 CO -0.03 0.88 -0.86 0.00 0.86 0.00 0.00 177.93 178.78 3d1k h ALA 89 N 1.07 -0.01 0.00 2.45 0.00 -0.66 0.12 119.26 122.23 3d1k h ALA 89 Ca -0.01 -0.67 -0.38 0.00 0.00 0.00 0.00 54.91 53.85 3d1k h ALA 89 Cb 1.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3d1k h ALA 89 CO 0.11 0.46 -2.31 0.98 0.00 0.00 0.00 179.25 178.48 3d1k n TYR 90 N -4.06 0.00 0.08 0.00 4.19 -0.01 -3.68 117.16 113.68 3d1k n TYR 90 Ca -0.13 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.87 3d1k n TYR 90 Cb 0.82 -0.85 -0.14 0.00 0.49 0.00 0.00 39.34 39.65 3d1k n TYR 90 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3d1k h LYS 91 N -0.58 0.43 0.00 2.98 3.64 -1.38 -3.38 116.57 118.28 3d1k h LYS 91 Ca -0.57 -0.68 -0.21 0.00 -1.27 0.00 0.00 60.65 57.91 3d1k h LYS 91 Cb 1.61 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.63 3d1k h LYS 91 CO -0.28 1.31 -1.91 1.28 -2.27 0.00 0.00 179.45 177.59 3d1k n LEU 92 N -3.97 0.37 -3.81 5.20 4.77 0.08 -5.01 117.00 114.64 3d1k n LEU 92 Ca -0.14 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.73 3d1k n LEU 92 Cb 0.92 0.22 0.04 0.00 -2.33 0.00 0.00 43.42 42.26 3d1k n LEU 92 CO 0.54 0.26 0.08 0.54 -1.33 0.00 0.00 177.39 177.47 3d1k n ARG 93 N -2.72 -5.70 -2.37 3.23 1.74 -0.13 -4.93 116.66 105.78 3d1k n ARG 93 Ca -0.17 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 3d1k n ARG 93 Cb 0.91 -5.46 -0.03 0.00 -1.02 0.00 0.00 32.46 26.86 3d1k n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d1k s VAL 94 N -3.41 4.03 0.20 1.55 1.01 -0.27 -4.96 120.40 118.55 3d1k s VAL 94 Ca 0.46 1.39 -0.32 0.00 0.00 0.00 0.00 61.98 63.50 3d1k s VAL 94 Cb -0.22 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3d1k s VAL 94 CO 0.81 0.01 1.69 -0.67 0.00 0.00 0.00 175.10 176.94 3d1k n ASP 95 N 5.13 3.81 0.07 3.32 -0.08 -1.26 -4.78 116.55 122.77 3d1k n ASP 95 Ca 0.12 1.07 0.09 0.00 -1.51 0.00 0.00 54.79 54.55 3d1k n ASP 95 Cb 0.45 -1.55 0.39 0.00 2.34 0.00 0.00 41.12 42.76 3d1k n ASP 95 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3d1k n PRO 96 N 3.83 0.10 0.13 -0.67 -0.04 -1.26 -1.90 135.00 135.19 3d1k n PRO 96 Ca 0.16 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 3d1k n PRO 96 Cb 0.34 -1.71 0.49 0.00 -0.04 0.00 0.00 33.50 32.58 3d1k n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3d1k n SER 97 N -1.90 0.56 0.15 3.54 3.41 -1.26 -2.68 113.62 115.44 3d1k n SER 97 Ca 0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 3d1k n SER 97 Cb 0.17 -0.78 0.21 0.00 -0.26 0.00 0.00 64.21 63.55 3d1k n SER 97 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3d1k h ASN 98 N 0.00 0.00 -0.95 4.04 4.21 -1.75 -3.35 115.58 117.77 3d1k h ASN 98 Ca 0.00 -0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.52 3d1k h ASN 98 Cb 0.21 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.35 3d1k h ASN 98 CO 0.00 0.01 0.62 -0.26 -1.29 0.00 0.00 177.43 176.52 3d1k h PHE 99 N 0.00 1.17 0.00 1.19 0.04 -1.73 -1.49 116.94 116.12 3d1k h PHE 99 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3d1k h PHE 99 Cb 0.89 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3d1k h PHE 99 CO 0.00 0.68 -0.21 1.57 -0.60 0.00 0.00 178.31 179.74 3d1k h LYS 100 N 1.21 0.00 -0.05 1.51 2.10 -1.80 -1.48 116.57 118.06 3d1k h LYS 100 Ca 0.38 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.02 3d1k h LYS 100 Cb -0.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3d1k h LYS 100 CO -0.12 0.21 0.00 0.82 -2.00 0.00 0.00 179.45 178.37 3d1k h ILE 101 N 0.00 1.24 -0.41 0.07 2.04 -1.49 -1.90 117.51 117.07 3d1k h ILE 101 Ca -0.00 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 3d1k h ILE 101 Cb 0.45 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3d1k h ILE 101 CO 0.03 0.20 -0.07 0.25 0.00 0.00 0.00 178.15 178.56 3d1k h LEU 102 N -0.20 0.69 -0.59 1.44 5.85 -1.10 -1.65 115.31 119.74 3d1k h LEU 102 Ca 0.01 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3d1k h LEU 102 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3d1k h LEU 102 CO 0.00 0.80 0.38 0.78 -0.34 0.00 0.00 178.44 180.06 3d1k h ASN 103 N 0.65 0.65 -0.73 1.25 -0.26 -1.20 0.57 115.58 116.52 3d1k h ASN 103 Ca 0.12 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3d1k h ASN 103 Cb 0.50 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 3d1k h ASN 103 CO 0.03 0.47 0.39 -0.74 -1.06 0.00 0.00 177.43 176.52 3d1k h HIS 104 N 0.78 1.01 -0.65 1.19 2.76 -0.96 -1.43 115.15 117.84 3d1k h HIS 104 Ca 0.22 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3d1k h HIS 104 Cb -0.06 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.55 3d1k h HIS 104 CO -0.04 0.72 0.21 0.00 -1.30 0.00 0.00 177.93 177.52 3d1k h ILE 106 N 0.95 1.17 -0.80 0.00 2.04 -0.46 -0.53 117.51 119.89 3d1k h ILE 106 Ca 0.21 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3d1k h ILE 106 Cb 0.26 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3d1k h ILE 106 CO -0.01 0.18 0.50 -0.07 0.00 0.00 0.00 178.15 178.74 3d1k h LEU 107 N 0.57 0.94 -0.52 1.44 3.38 -0.65 -0.42 115.31 120.06 3d1k h LEU 107 Ca 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3d1k h LEU 107 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3d1k h LEU 107 CO -0.02 0.71 0.26 0.58 0.09 0.00 0.00 178.44 180.06 3d1k h VAL 108 N 1.09 1.19 -0.12 1.22 2.07 -0.72 -1.07 116.25 119.91 3d1k h VAL 108 Ca 0.29 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3d1k h VAL 108 Cb -0.07 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3d1k h VAL 108 CO -0.06 0.21 0.03 0.58 0.02 0.00 0.00 177.57 178.35 3d1k h VAL 109 N 0.69 1.20 -0.98 2.57 2.07 -0.71 -0.81 116.25 120.28 3d1k h VAL 109 Ca 0.18 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3d1k h VAL 109 Cb 0.10 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3d1k h VAL 109 CO -0.02 0.18 0.64 0.40 0.02 0.00 0.00 177.57 178.78 3d1k h ILE 110 N -0.01 1.12 -0.66 4.57 2.04 -0.95 -1.58 117.51 122.03 3d1k h ILE 110 Ca 0.04 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3d1k h ILE 110 Cb 0.25 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3d1k h ILE 110 CO 0.00 0.22 0.37 -1.28 0.00 0.00 0.00 178.15 177.45 3d1k h SER 111 N 1.18 0.82 -0.00 1.72 0.87 -0.72 0.22 113.55 117.64 3d1k h SER 111 Ca 0.41 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 3d1k h SER 111 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3d1k h SER 111 CO -0.15 0.67 -0.12 0.71 -0.53 0.00 0.00 176.83 177.41 3d1k h THR 112 N 0.90 1.18 0.00 2.23 1.35 -0.31 -3.17 112.91 115.10 3d1k h THR 112 Ca 0.23 -0.81 -0.29 0.00 -0.55 0.00 0.00 66.41 64.99 3d1k h THR 112 Cb 0.03 1.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.59 3d1k h THR 112 CO -0.04 0.25 -2.11 0.23 -0.25 0.00 0.00 175.52 173.60 3d1k n MET 113 N -4.27 0.67 -2.98 4.72 2.00 -0.68 -4.64 117.12 111.95 3d1k n MET 113 Ca -0.00 0.05 -0.20 0.00 0.00 0.00 0.00 57.70 57.55 3d1k n MET 113 Cb 0.27 -1.60 -0.02 0.00 0.00 0.00 0.00 33.22 31.87 3d1k n MET 113 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3d1k n PHE 114 N -2.77 1.78 0.03 2.03 3.01 0.75 -4.95 117.46 117.35 3d1k n PHE 114 Ca -0.24 -3.67 0.06 0.00 1.01 0.00 0.00 57.45 54.61 3d1k n PHE 114 Cb 1.04 -0.41 0.48 0.00 -0.01 0.00 0.00 39.48 40.59 3d1k n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3d1k h PRO 115 N 2.96 0.41 -0.15 -1.08 0.13 -1.72 -0.91 132.00 131.64 3d1k h PRO 115 Ca 0.10 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.02 3d1k h PRO 115 Cb 0.85 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.90 3d1k h PRO 115 CO 0.63 0.27 -0.61 0.87 -0.23 0.00 0.00 178.00 178.92 3d1k h LYS 116 N 0.42 0.67 0.00 0.86 1.79 -1.92 -3.27 116.57 115.11 3d1k h LYS 116 Ca 0.15 -0.53 -0.12 0.00 -2.18 0.00 0.00 60.65 57.97 3d1k h LYS 116 Cb 0.07 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3d1k h LYS 116 CO -0.03 1.15 -0.58 0.93 -1.08 0.00 0.00 179.45 179.83 3d1k h GLU 117 N 0.35 0.00 -3.19 3.15 3.07 -1.91 -3.36 114.58 112.69 3d1k h GLU 117 Ca -0.04 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.08 3d1k h GLU 117 Cb 1.25 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.04 3d1k h GLU 117 CO 0.13 0.58 2.40 0.34 -1.40 0.00 0.00 179.01 181.06 3d1k n PHE 118 N -3.43 2.81 -1.23 4.33 7.35 -0.37 -4.76 117.46 122.17 3d1k n PHE 118 Ca 0.00 -2.84 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 3d1k n PHE 118 Cb 0.69 -2.00 0.17 0.00 0.35 0.00 0.00 39.48 38.69 3d1k n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d1k s THR 119 N 0.21 2.14 0.36 -2.13 -4.23 -1.26 -4.78 115.64 105.96 3d1k s THR 119 Ca 0.48 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.08 3d1k s THR 119 Cb 0.14 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.69 3d1k s THR 119 CO -0.04 -0.06 1.97 -0.65 -0.54 0.00 0.00 174.62 175.30 3d1k h PRO 120 N -1.80 0.74 -0.30 3.99 0.11 -1.97 0.33 132.00 133.11 3d1k h PRO 120 Ca -0.53 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.38 3d1k h PRO 120 Cb 1.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3d1k h PRO 120 CO 0.58 0.49 -0.41 0.93 -0.21 0.00 0.00 178.00 179.37 3d1k h GLU 121 N 0.76 0.74 -0.64 1.05 3.07 -1.96 -0.55 114.58 117.05 3d1k h GLU 121 Ca 0.29 -0.39 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3d1k h GLU 121 Cb 0.19 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 3d1k h GLU 121 CO -0.09 1.01 0.08 0.00 -1.40 0.00 0.00 179.01 178.61 3d1k h ALA 122 N 0.93 0.93 -0.51 3.43 0.00 -1.70 -3.10 119.26 119.25 3d1k h ALA 122 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3d1k h ALA 122 Cb 0.96 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3d1k h ALA 122 CO 0.09 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.32 3d1k h HIS 123 N 0.99 0.90 -0.49 0.00 6.17 -0.56 -0.46 115.15 121.71 3d1k h HIS 123 Ca 0.19 -0.13 -0.02 0.00 0.71 0.00 0.00 60.37 61.12 3d1k h HIS 123 Cb 0.46 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.12 3d1k h HIS 123 CO 0.03 0.82 0.22 -0.24 0.71 0.00 0.00 177.93 179.47 3d1k h VAL 124 N 0.72 1.20 -0.28 5.26 3.04 -1.08 0.13 116.25 125.24 3d1k h VAL 124 Ca 0.15 -0.58 -0.14 0.00 -1.01 0.00 0.00 66.70 65.12 3d1k h VAL 124 Cb 0.42 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 3d1k h VAL 124 CO 0.01 0.22 -0.41 0.28 -1.01 0.00 0.00 177.57 176.67 3d1k h SER 125 N 0.64 0.71 -0.06 3.17 0.02 -1.47 -1.26 113.55 115.30 3d1k h SER 125 Ca 0.16 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 3d1k h SER 125 Cb 0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3d1k h SER 125 CO -0.02 1.03 -0.32 0.25 -1.14 0.00 0.00 176.83 176.63 3d1k h LEU 126 N 0.55 0.55 -0.45 5.07 5.85 -0.80 -0.25 115.31 125.83 3d1k h LEU 126 Ca 0.04 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 3d1k h LEU 126 Cb 0.94 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3d1k h LEU 126 CO 0.08 0.84 -0.18 -0.78 -0.34 0.00 0.00 178.44 178.07 3d1k h ASP 127 N 0.46 0.94 -0.83 1.25 3.58 -0.58 0.17 116.42 121.40 3d1k h ASP 127 Ca 0.05 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 3d1k h ASP 127 Cb 0.79 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 3d1k h ASP 127 CO 0.06 1.11 0.42 0.11 -2.88 0.00 0.00 179.24 178.07 3d1k h LYS 128 N 0.75 1.19 -0.34 0.28 1.57 -0.97 -0.88 116.57 118.17 3d1k h LYS 128 Ca 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3d1k h LYS 128 Cb 0.74 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3d1k h LYS 128 CO 0.06 0.90 0.13 0.35 -0.57 0.00 0.00 179.45 180.32 3d1k h PHE 129 N 1.19 0.51 -0.05 -1.35 3.57 -0.64 -1.11 116.94 119.06 3d1k h PHE 129 Ca 0.29 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3d1k h PHE 129 Cb 0.09 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3d1k h PHE 129 CO 0.01 0.48 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.17 3d1k h LEU 130 N 0.40 0.10 -0.68 0.59 3.38 -0.39 0.60 115.31 119.30 3d1k h LEU 130 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3d1k h LEU 130 Cb 0.19 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3d1k h LEU 130 CO -0.01 0.43 0.33 0.28 0.09 0.00 0.00 178.44 179.57 3d1k h SER 131 N 0.09 0.89 -0.27 -0.43 0.02 -0.89 0.41 113.55 113.37 3d1k h SER 131 Ca 0.01 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 3d1k h SER 131 Cb 0.64 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3d1k h SER 131 CO 0.05 0.77 -0.18 1.23 -1.14 0.00 0.00 176.83 177.55 3d1k h GLY 132 N 0.95 0.78 0.94 -3.77 0.00 0.11 -0.52 103.07 101.55 3d1k h GLY 132 Ca 0.24 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3d1k h GLY 132 CO -0.03 0.57 0.11 -2.08 0.00 0.00 0.00 176.54 175.11 3d1k h VAL 133 N 0.64 1.11 -0.85 4.60 2.07 -0.58 -0.11 116.25 123.13 3d1k h VAL 133 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3d1k h VAL 133 Cb 0.66 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3d1k h VAL 133 CO 0.05 0.11 0.48 0.00 0.02 0.00 0.00 177.57 178.23 3d1k h ALA 134 N 0.99 1.26 -0.27 1.67 0.00 -0.62 0.14 119.26 122.43 3d1k h ALA 134 Ca 0.07 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3d1k h ALA 134 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d1k h ALA 134 CO -0.01 0.62 -0.40 1.25 0.00 0.00 0.00 179.25 180.71 3d1k h LEU 135 N 1.18 0.67 -0.59 0.00 5.85 -0.76 -0.43 115.31 121.23 3d1k h LEU 135 Ca 0.30 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3d1k h LEU 135 Cb -0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3d1k h LEU 135 CO -0.05 0.99 -0.05 0.00 -0.34 0.00 0.00 178.44 178.99 3d1k h ALA 136 N 1.04 0.80 0.00 1.25 0.00 -0.56 -2.47 119.26 119.32 3d1k h ALA 136 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3d1k h ALA 136 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3d1k h ALA 136 CO 0.08 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.75 3d1k h LEU 137 N 0.96 0.00 0.00 0.00 3.38 -0.46 -1.91 115.31 117.28 3d1k h LEU 137 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3d1k h LEU 137 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3d1k h LEU 137 CO 0.04 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3d1k n ALA 138 N -2.29 2.38 -0.31 1.53 0.00 -0.19 -4.31 120.51 117.30 3d1k n ALA 138 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.36 3d1k n ALA 138 Cb 0.30 -1.45 0.22 0.00 0.00 0.00 0.00 19.45 18.52 3d1k n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3d1k h GLU 139 N 0.00 0.75 -0.26 0.00 4.57 -1.12 -1.86 114.58 116.67 3d1k h GLU 139 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3d1k h GLU 139 Cb 0.25 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3d1k h GLU 139 CO 0.00 0.50 0.00 0.54 -1.18 0.00 0.00 179.01 178.87 3d1k n ARG 140 N -4.76 1.88 0.08 1.92 5.12 -1.26 -4.35 116.66 115.29 3d1k n ARG 140 Ca 0.17 -1.33 -0.07 0.00 -1.93 0.00 0.00 57.85 54.68 3d1k n ARG 140 Cb 0.38 -1.39 -0.06 0.00 -1.16 0.00 0.00 32.46 30.23 3d1k n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3d1k h TYR 141 N 2.52 0.10 0.00 -1.55 0.05 -1.62 -3.47 116.97 113.00 3d1k h TYR 141 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3d1k h TYR 141 Cb 0.56 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.29 3d1k h TYR 141 CO 0.17 0.97 0.00 2.89 -1.05 0.00 0.00 178.16 181.14