#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5k s SER 3 N 0.00 2.98 0.13 0.00 1.04 -1.26 -4.84 113.70 111.75 2d5k s SER 3 Ca 0.00 1.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 2d5k s SER 3 Cb 0.00 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 2d5k s SER 3 CO 0.00 -2.96 1.64 0.78 0.98 0.00 0.00 173.24 173.68 2d5k h ASN 4 N -1.77 0.59 -0.51 7.02 2.35 -1.99 -1.81 115.58 119.45 2d5k h ASN 4 Ca -0.51 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.02 2d5k h ASN 4 Cb 1.29 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 2d5k h ASN 4 CO 0.52 0.65 0.31 -0.61 -1.65 0.00 0.00 177.43 176.65 2d5k h GLN 5 N 0.50 0.71 -0.03 0.81 5.75 -1.92 -0.63 115.11 120.31 2d5k h GLN 5 Ca 0.13 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 2d5k h GLN 5 Cb 0.28 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2d5k h GLN 5 CO -0.00 0.51 -0.50 0.37 -2.65 0.00 0.00 178.83 176.55 2d5k h GLN 6 N 0.73 0.08 -0.23 1.69 5.75 -1.84 -1.07 115.11 120.21 2d5k h GLN 6 Ca 0.19 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 2d5k h GLN 6 Cb -0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2d5k h GLN 6 CO -0.04 0.56 -0.36 -0.44 -2.65 0.00 0.00 178.83 175.91 2d5k h ASP 7 N 0.06 0.52 -0.47 -0.69 3.32 -0.30 -1.50 116.42 117.36 2d5k h ASP 7 Ca -0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 2d5k h ASP 7 Cb 0.91 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2d5k h ASP 7 CO 0.07 0.84 -0.18 0.58 -1.72 0.00 0.00 179.24 178.82 2d5k h VAL 8 N 0.42 1.27 -0.70 -1.35 2.07 -0.60 -1.85 116.25 115.51 2d5k h VAL 8 Ca 0.04 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2d5k h VAL 8 Cb 0.83 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2d5k h VAL 8 CO 0.07 0.46 0.38 0.58 0.02 0.00 0.00 177.57 179.08 2d5k h VAL 9 N 0.80 1.21 -0.53 2.57 2.07 -0.92 0.12 116.25 121.57 2d5k h VAL 9 Ca 0.11 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2d5k h VAL 9 Cb 0.75 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2d5k h VAL 9 CO 0.06 0.23 0.34 0.50 0.02 0.00 0.00 177.57 178.72 2d5k h LYS 10 N 0.97 0.71 -0.46 1.57 3.64 -0.86 0.78 116.57 122.91 2d5k h LYS 10 Ca 0.25 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2d5k h LYS 10 Cb 0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2d5k h LYS 10 CO -0.04 0.50 -0.06 0.93 -2.27 0.00 0.00 179.45 178.50 2d5k h GLU 11 N 0.72 0.81 -0.36 1.90 4.39 -0.46 -1.08 114.58 120.49 2d5k h GLU 11 Ca 0.19 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2d5k h GLU 11 Cb -0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2d5k h GLU 11 CO -0.04 0.85 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.58 2d5k h LEU 12 N 0.74 0.64 -1.13 1.33 3.38 -0.27 -2.91 115.31 117.10 2d5k h LEU 12 Ca 0.13 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2d5k h LEU 12 Cb 0.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2d5k h LEU 12 CO 0.03 0.80 -0.29 0.78 0.09 0.00 0.00 178.44 179.86 2d5k h ASN 13 N 0.46 0.25 -0.79 -0.43 2.35 -0.67 -1.18 115.58 115.57 2d5k h ASN 13 Ca 0.10 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2d5k h ASN 13 Cb 0.48 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 2d5k h ASN 13 CO 0.02 0.54 0.51 -0.61 -1.65 0.00 0.00 177.43 176.24 2d5k h GLN 14 N 0.22 0.96 -0.03 0.81 5.75 -1.04 0.18 115.11 121.97 2d5k h GLN 14 Ca 0.03 -0.06 -0.20 0.00 -0.15 0.00 0.00 58.65 58.27 2d5k h GLN 14 Cb 0.63 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 2d5k h GLN 14 CO 0.05 0.64 -0.84 1.96 -2.65 0.00 0.00 178.83 177.99 2d5k h GLN 15 N 0.99 0.33 -0.67 1.69 1.08 -1.26 -0.41 115.11 116.86 2d5k h GLN 15 Ca 0.32 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2d5k h GLN 15 Cb 0.00 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2d5k h GLN 15 CO -0.11 1.00 0.26 0.28 -0.95 0.00 0.00 178.83 179.31 2d5k h VAL 16 N 0.20 1.24 -0.02 -0.54 2.07 -0.71 -0.90 116.25 117.59 2d5k h VAL 16 Ca -0.05 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2d5k h VAL 16 Cb 1.45 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2d5k h VAL 16 CO 0.14 0.30 -0.01 0.00 0.02 0.00 0.00 177.57 178.02 2d5k h ALA 17 N 1.31 0.02 -0.35 1.67 0.00 -0.85 -1.77 119.26 119.30 2d5k h ALA 17 Ca 0.23 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2d5k h ALA 17 Cb 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2d5k h ALA 17 CO -0.02 -0.26 0.03 -0.91 0.00 0.00 0.00 179.25 178.08 2d5k h ASN 18 N -0.37 -0.08 1.67 0.00 2.35 -0.83 -2.24 115.58 116.07 2d5k h ASN 18 Ca 0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2d5k h ASN 18 Cb 0.42 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 2d5k h ASN 18 CO 0.00 -0.01 -0.06 -0.50 -1.65 0.00 0.00 177.43 175.21 2d5k h TRP 19 N 0.13 0.00 -0.19 1.19 4.06 -1.21 -0.24 115.95 119.69 2d5k h TRP 19 Ca 0.17 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.96 2d5k h TRP 19 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2d5k h TRP 19 CO -0.22 0.06 -0.49 1.15 -3.56 0.00 0.00 178.44 175.38 2d5k h THR 20 N 0.00 1.32 -0.33 1.49 2.02 -1.02 0.01 112.91 116.41 2d5k h THR 20 Ca -0.00 -1.73 -0.12 0.00 0.77 0.00 0.00 66.41 65.33 2d5k h THR 20 Cb 0.92 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2d5k h THR 20 CO 0.01 0.54 -0.26 0.58 0.37 0.00 0.00 175.52 176.76 2d5k h VAL 21 N 0.35 1.29 -0.48 3.16 2.07 -1.32 -2.96 116.25 118.36 2d5k h VAL 21 Ca -0.01 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 2d5k h VAL 21 Cb 1.11 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2d5k h VAL 21 CO 0.11 0.46 0.21 0.00 0.02 0.00 0.00 177.57 178.37 2d5k h ALA 22 N 0.74 1.47 -0.51 1.67 0.00 -1.00 -1.37 119.26 120.26 2d5k h ALA 22 Ca 0.06 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2d5k h ALA 22 Cb 0.83 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2d5k h ALA 22 CO 0.07 0.42 0.09 -0.92 0.00 0.00 0.00 179.25 178.91 2d5k h TYR 23 N 0.68 0.14 -0.01 0.00 3.20 -0.81 0.26 116.97 120.43 2d5k h TYR 23 Ca 0.17 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.84 2d5k h TYR 23 Cb 0.11 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.40 2d5k h TYR 23 CO 0.01 -0.02 -0.96 1.15 -1.64 0.00 0.00 178.16 176.70 2d5k h THR 24 N 0.22 1.36 -0.50 1.81 2.02 -1.45 -2.73 112.91 113.64 2d5k h THR 24 Ca 0.26 -2.37 -0.05 0.00 0.77 0.00 0.00 66.41 65.02 2d5k h THR 24 Cb 0.36 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 2d5k h THR 24 CO -0.35 0.71 0.11 0.50 0.37 0.00 0.00 175.52 176.87 2d5k h LYS 25 N 0.29 0.77 0.00 6.66 3.64 -0.63 -0.71 116.57 126.59 2d5k h LYS 25 Ca -0.09 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 2d5k h LYS 25 Cb 1.59 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2d5k h LYS 25 CO 0.17 0.70 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.57 2d5k h LEU 26 N 0.74 0.00 -0.28 5.20 3.38 -0.48 -0.77 115.31 123.10 2d5k h LEU 26 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2d5k h LEU 26 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2d5k h LEU 26 CO -0.00 0.42 -0.30 0.45 0.09 0.00 0.00 178.44 179.10 2d5k h HIS 27 N 0.00 0.85 -0.13 1.13 3.86 -1.01 -0.56 115.15 119.29 2d5k h HIS 27 Ca -0.00 -0.26 0.04 0.00 -1.16 0.00 0.00 60.37 58.98 2d5k h HIS 27 Cb 0.78 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2d5k h HIS 27 CO 0.00 1.01 -0.10 -0.97 0.86 0.00 0.00 177.93 178.73 2d5k h ASN 28 N 0.45 -0.33 -0.46 2.45 -0.73 -0.63 0.83 115.58 117.16 2d5k h ASN 28 Ca 0.04 0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 2d5k h ASN 28 Cb 0.88 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.61 2d5k h ASN 28 CO 0.07 -0.14 0.03 -0.26 -0.37 0.00 0.00 177.43 176.77 2d5k h PHE 29 N -0.11 0.91 -0.97 0.67 -1.00 -1.12 0.11 116.94 115.43 2d5k h PHE 29 Ca 0.09 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.76 2d5k h PHE 29 Cb 0.24 -0.25 -0.05 0.00 3.61 0.00 0.00 35.95 39.49 2d5k h PHE 29 CO -0.23 0.82 0.64 1.25 -1.61 0.00 0.00 178.31 179.18 2d5k h HIS 30 N 0.80 1.21 0.17 -0.55 -0.00 -0.45 -0.90 115.15 115.43 2d5k h HIS 30 Ca 0.16 0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.28 2d5k h HIS 30 Cb 0.44 -0.41 0.02 0.00 -0.00 0.00 0.00 27.41 27.46 2d5k h HIS 30 CO 0.03 0.74 -1.28 -1.49 -0.00 0.00 0.00 177.93 175.92 2d5k h TRP 31 N 1.29 0.66 -0.00 5.26 6.55 -0.27 -3.39 115.95 126.05 2d5k h TRP 31 Ca 0.37 -0.48 0.00 0.00 0.95 0.00 0.00 58.89 59.73 2d5k h TRP 31 Cb -0.09 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2d5k h TRP 31 CO -0.00 1.50 -0.35 0.66 -1.05 0.00 0.00 178.44 179.19 2d5k n TYR 32 N -3.89 0.00 -1.88 0.49 4.01 0.33 -4.95 117.16 111.26 2d5k n TYR 32 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.14 2d5k n TYR 32 Cb 0.95 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.81 2d5k n TYR 32 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2d5k s VAL 33 N -2.70 2.23 0.24 -0.72 0.11 -0.35 -4.97 120.40 114.24 2d5k s VAL 33 Ca 0.19 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 2d5k s VAL 33 Cb 0.19 -3.14 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 2d5k s VAL 33 CO 0.59 0.05 0.21 -0.54 -3.33 0.00 0.00 175.10 172.08 2d5k s LYS 34 N -2.13 1.40 0.00 1.54 1.02 -1.26 -4.94 119.74 115.37 2d5k s LYS 34 Ca 0.54 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2d5k s LYS 34 Cb -0.44 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 2d5k s LYS 34 CO 0.59 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2d5k n GLY 35 N -0.38 1.13 0.20 -3.33 0.00 -1.26 -4.38 105.19 97.18 2d5k n GLY 35 Ca 0.03 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 44.07 2d5k n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d5k h PRO 36 N 0.00 0.00 -0.62 1.61 0.13 -2.07 -1.19 132.00 129.86 2d5k h PRO 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2d5k h PRO 36 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d5k h PRO 36 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2d5k n ASN 37 N -2.44 4.82 -0.08 1.44 3.02 -1.26 -4.67 115.26 116.10 2d5k n ASN 37 Ca -0.02 -2.53 -0.12 0.00 -0.03 0.00 0.00 54.58 51.89 2d5k n ASN 37 Cb 0.05 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.57 2d5k n ASN 37 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2d5k h PHE 38 N 3.93 -1.37 -0.76 3.10 3.57 -1.46 -1.64 116.94 122.32 2d5k h PHE 38 Ca 0.00 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.66 2d5k h PHE 38 Cb 1.51 0.64 -0.07 0.00 2.79 0.00 0.00 35.95 40.81 2d5k h PHE 38 CO 0.79 -0.48 0.40 0.74 -2.23 0.00 0.00 178.31 177.53 2d5k h PHE 39 N -0.43 0.73 0.06 0.41 0.04 -1.85 0.29 116.94 116.20 2d5k h PHE 39 Ca 0.09 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2d5k h PHE 39 Cb 0.62 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2d5k h PHE 39 CO -0.60 0.28 -0.03 0.77 -0.60 0.00 0.00 178.31 178.13 2d5k h SER 40 N 0.68 -0.07 -0.55 2.17 0.02 -1.84 -3.07 113.55 110.89 2d5k h SER 40 Ca 0.37 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2d5k h SER 40 Cb 0.37 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2d5k h SER 40 CO -0.26 0.36 0.01 -0.07 -1.14 0.00 0.00 176.83 175.73 2d5k h LEU 41 N -0.53 0.96 -0.64 5.07 3.38 -1.11 -0.06 115.31 122.39 2d5k h LEU 41 Ca -0.01 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2d5k h LEU 41 Cb 0.46 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2d5k h LEU 41 CO 0.01 1.02 0.29 -0.74 0.09 0.00 0.00 178.44 179.11 2d5k h HIS 42 N 0.91 0.51 -0.01 1.13 2.76 -0.48 0.75 115.15 120.72 2d5k h HIS 42 Ca 0.17 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 58.14 2d5k h HIS 42 Cb 0.52 -0.13 0.02 0.00 1.55 0.00 0.00 27.41 29.37 2d5k h HIS 42 CO 0.03 0.18 -0.85 0.28 -1.30 0.00 0.00 177.93 176.27 2d5k h VAL 43 N 0.51 1.33 -0.97 5.26 2.07 -1.41 -3.16 116.25 119.88 2d5k h VAL 43 Ca 0.31 -2.15 0.05 0.00 0.82 0.00 0.00 66.70 65.72 2d5k h VAL 43 Cb 0.33 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 2d5k h VAL 43 CO -0.26 0.65 0.63 0.50 0.02 0.00 0.00 177.57 179.11 2d5k h LYS 44 N 0.22 1.16 -0.08 1.57 1.63 -0.48 -1.11 116.57 119.48 2d5k h LYS 44 Ca -0.10 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 2d5k h LYS 44 Cb 1.52 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 2d5k h LYS 44 CO 0.17 0.76 -0.32 0.74 -3.45 0.00 0.00 179.45 177.35 2d5k h PHE 45 N 1.19 0.16 -0.22 1.91 0.04 -0.93 -1.78 116.94 117.31 2d5k h PHE 45 Ca 0.40 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.99 2d5k h PHE 45 Cb 0.06 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2d5k h PHE 45 CO -0.01 0.46 -0.42 1.49 -0.60 0.00 0.00 178.31 179.23 2d5k h GLU 46 N 0.13 0.67 -0.77 1.51 4.81 -1.26 -1.58 114.58 118.09 2d5k h GLU 46 Ca 0.02 -0.43 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2d5k h GLU 46 Cb 0.64 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2d5k h GLU 46 CO 0.05 1.05 0.51 0.93 -0.73 0.00 0.00 179.01 180.81 2d5k h GLU 47 N 0.38 0.92 -0.36 1.92 5.08 -0.97 -1.31 114.58 120.23 2d5k h GLU 47 Ca 0.01 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 2d5k h GLU 47 Cb 1.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2d5k h GLU 47 CO 0.09 0.61 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.36 2d5k h LEU 48 N 0.95 0.88 -0.82 1.33 3.38 -1.11 -2.06 115.31 117.86 2d5k h LEU 48 Ca 0.30 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2d5k h LEU 48 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2d5k h LEU 48 CO -0.09 1.14 -0.42 0.10 0.09 0.00 0.00 178.44 179.26 2d5k h TYR 49 N 0.63 0.00 -0.49 1.13 -0.00 -0.78 -0.21 116.97 117.25 2d5k h TYR 49 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.69 2d5k h TYR 49 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.58 2d5k h TYR 49 CO 0.06 0.42 -0.13 -0.91 -0.00 0.00 0.00 178.16 177.61 2d5k h ASN 50 N 0.00 0.95 -0.68 0.10 2.35 -1.17 -0.76 115.58 116.38 2d5k h ASN 50 Ca -0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 2d5k h ASN 50 Cb 0.98 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 2d5k h ASN 50 CO 0.06 1.10 0.20 -0.08 -1.65 0.00 0.00 177.43 177.06 2d5k h GLU 51 N 0.80 1.06 -0.83 0.81 4.81 -1.07 -2.45 114.58 117.71 2d5k h GLU 51 Ca 0.12 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2d5k h GLU 51 Cb 0.69 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2d5k h GLU 51 CO 0.05 0.93 0.50 0.00 -0.73 0.00 0.00 179.01 179.76 2d5k h ALA 52 N 1.09 1.06 -0.41 2.92 0.00 -0.65 -1.94 119.26 121.32 2d5k h ALA 52 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2d5k h ALA 52 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2d5k h ALA 52 CO -0.00 0.52 0.08 0.66 0.00 0.00 0.00 179.25 180.51 2d5k h SER 53 N 1.14 0.57 -0.65 0.00 4.64 -0.82 -1.56 113.55 116.87 2d5k h SER 53 Ca 0.30 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 2d5k h SER 53 Cb -0.04 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2d5k h SER 53 CO -0.06 0.59 0.08 1.56 -0.87 0.00 0.00 176.83 178.13 2d5k h GLN 54 N 0.60 1.10 -0.21 4.77 1.08 -0.91 -2.66 115.11 118.87 2d5k h GLN 54 Ca 0.14 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2d5k h GLN 54 Cb 0.26 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2d5k h GLN 54 CO -0.00 1.02 0.06 1.88 -0.95 0.00 0.00 178.83 180.84 2d5k h TYR 55 N 1.01 0.35 -0.57 2.96 0.05 -0.73 -1.18 116.97 118.86 2d5k h TYR 55 Ca 0.20 -0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.02 2d5k h TYR 55 Cb 0.47 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 38.05 2d5k h TYR 55 CO 0.03 0.43 0.22 0.28 -1.05 0.00 0.00 178.16 178.07 2d5k h VAL 56 N 0.17 0.80 -0.15 -2.88 2.07 -1.22 0.30 116.25 115.34 2d5k h VAL 56 Ca 0.07 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2d5k h VAL 56 Cb 0.25 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2d5k h VAL 56 CO -0.00 0.07 -0.15 -0.78 0.02 0.00 0.00 177.57 176.73 2d5k h ASP 57 N 0.40 0.40 -0.01 0.57 3.58 -1.40 -0.89 116.42 119.08 2d5k h ASP 57 Ca 0.28 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.26 2d5k h ASP 57 Cb 0.32 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2d5k h ASP 57 CO -0.28 0.80 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.76 2d5k h GLU 58 N 0.01 -0.07 -0.37 0.28 4.81 -0.89 -0.75 114.58 117.60 2d5k h GLU 58 Ca 0.02 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2d5k h GLU 58 Cb 0.69 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2d5k h GLU 58 CO 0.04 -0.05 -0.32 -0.07 -0.73 0.00 0.00 179.01 177.88 2d5k h LEU 59 N -0.08 0.85 -0.69 1.64 4.07 -1.01 -2.30 115.31 117.78 2d5k h LEU 59 Ca 0.02 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 2d5k h LEU 59 Cb 0.10 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2d5k h LEU 59 CO -0.05 1.09 0.35 0.00 -1.08 0.00 0.00 178.44 178.75 2d5k h ALA 60 N 0.95 0.89 0.00 1.53 0.00 -0.97 -1.53 119.26 120.14 2d5k h ALA 60 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2d5k h ALA 60 Cb 0.87 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d5k h ALA 60 CO 0.08 0.44 -0.01 0.93 0.00 0.00 0.00 179.25 180.69 2d5k h GLU 61 N 0.96 0.00 -0.11 0.00 5.08 -1.07 -2.64 114.58 116.79 2d5k h GLU 61 Ca 0.24 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.41 2d5k h GLU 61 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2d5k h GLU 61 CO -0.03 0.01 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.21 2d5k h ARG 62 N 0.00 0.66 -0.98 2.33 9.65 -0.88 -0.08 114.38 125.08 2d5k h ARG 62 Ca -0.00 -0.56 0.11 0.00 -1.10 0.00 0.00 59.98 58.42 2d5k h ARG 62 Cb 0.79 0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 29.42 2d5k h ARG 62 CO 0.00 1.18 0.63 0.82 2.80 0.00 0.00 179.97 185.39 2d5k h ILE 63 N 0.32 0.96 -0.36 1.20 2.04 -1.08 0.10 117.51 120.69 2d5k h ILE 63 Ca -0.06 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.33 2d5k h ILE 63 Cb 1.33 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2d5k h ILE 63 CO 0.14 0.18 -0.31 -0.07 0.00 0.00 0.00 178.15 178.10 2d5k h LEU 64 N 1.00 0.82 -2.00 1.44 3.38 -1.24 0.39 115.31 119.10 2d5k h LEU 64 Ca 0.47 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2d5k h LEU 64 Cb 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2d5k h LEU 64 CO -0.23 1.06 -0.10 0.00 0.09 0.00 0.00 178.44 179.27 2d5k h ALA 65 N 0.98 1.27 -0.52 1.53 0.00 0.11 -1.81 119.26 120.82 2d5k h ALA 65 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d5k h ALA 65 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2d5k h ALA 65 CO 0.07 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.77 2d5k n VAL 66 N -3.60 1.92 -1.52 0.00 0.24 -0.53 -4.96 118.33 109.89 2d5k n VAL 66 Ca -0.02 -1.33 -0.04 0.00 -2.04 0.00 0.00 64.34 60.91 2d5k n VAL 66 Cb 0.22 0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.63 2d5k n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d5k n GLY 67 N 0.66 0.49 2.96 7.63 0.00 -0.68 -5.05 105.19 111.20 2d5k n GLY 67 Ca 0.23 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 2d5k n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d5k n GLY 68 N -1.87 2.47 3.20 -0.02 0.00 0.14 -5.00 105.19 104.10 2d5k n GLY 68 Ca -0.05 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 2d5k n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d5k s ASN 69 N -3.60 4.86 0.20 1.61 0.02 -1.26 -4.18 114.94 112.60 2d5k s ASN 69 Ca 0.33 -1.16 -0.30 0.00 -1.02 0.00 0.00 52.86 50.71 2d5k s ASN 69 Cb -0.03 -1.73 -0.08 0.00 0.02 0.00 0.00 41.25 39.43 2d5k s ASN 69 CO 0.21 -0.24 1.19 -2.84 0.02 0.00 0.00 177.10 175.44 2d5k s PRO 70 N 1.30 4.50 -0.11 -0.60 0.02 -1.26 -4.92 135.00 133.92 2d5k s PRO 70 Ca -0.04 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 2d5k s PRO 70 Cb -0.19 -3.23 -0.08 0.00 0.02 0.00 0.00 34.50 31.02 2d5k s PRO 70 CO -0.01 -0.06 2.08 1.33 -0.33 0.00 0.00 177.00 180.01 2d5k n VAL 71 N 2.30 0.53 -1.49 3.83 0.24 -1.26 -4.86 118.33 117.63 2d5k n VAL 71 Ca 0.04 -0.27 -0.02 0.00 -2.04 0.00 0.00 64.34 62.04 2d5k n VAL 71 Cb 0.44 -2.31 0.20 0.00 -1.47 0.00 0.00 33.84 30.71 2d5k n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d5k n GLY 72 N 5.16 4.96 2.98 7.63 0.00 -1.26 -4.96 105.19 119.69 2d5k n GLY 72 Ca 0.26 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2d5k n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d5k s THR 73 N -3.25 0.05 0.27 2.61 -4.23 -1.26 -5.04 115.64 104.80 2d5k s THR 73 Ca 0.43 -0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2d5k s THR 73 Cb 0.40 -0.21 0.11 0.00 1.34 0.00 0.00 72.50 74.14 2d5k s THR 73 CO -0.02 -0.25 1.76 -0.07 -0.54 0.00 0.00 174.62 175.51 2d5k h LEU 74 N 5.25 0.68 -0.53 4.79 3.38 -1.99 -2.26 115.31 124.62 2d5k h LEU 74 Ca -0.28 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2d5k h LEU 74 Cb 1.21 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2d5k h LEU 74 CO 0.44 0.78 0.27 0.74 0.09 0.00 0.00 178.44 180.76 2d5k h THR 75 N 0.65 0.95 -0.39 0.22 2.02 -2.00 -0.75 112.91 113.62 2d5k h THR 75 Ca 0.12 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 2d5k h THR 75 Cb 0.48 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2d5k h THR 75 CO 0.02 0.09 0.01 -0.33 0.37 0.00 0.00 175.52 175.69 2d5k h GLU 76 N 0.52 0.68 -0.61 6.66 5.08 -1.92 -3.04 114.58 121.95 2d5k h GLU 76 Ca 0.23 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2d5k h GLU 76 Cb 0.14 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2d5k h GLU 76 CO -0.16 0.76 0.38 0.00 -1.00 0.00 0.00 179.01 178.99 2d5k h LEU 78 N 0.76 0.00 -0.02 0.00 3.38 -1.11 0.06 115.31 118.38 2d5k h LEU 78 Ca 0.24 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.95 2d5k h LEU 78 Cb -0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2d5k h LEU 78 CO -0.08 0.08 -1.01 -0.33 0.09 0.00 0.00 178.44 177.19 2d5k h GLU 79 N 0.00 0.72 0.00 1.13 5.08 -1.25 -3.36 114.58 116.89 2d5k h GLU 79 Ca -0.00 -0.75 -0.24 0.00 -1.00 0.00 0.00 59.36 57.37 2d5k h GLU 79 Cb 0.16 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2d5k h GLU 79 CO 0.01 1.32 -1.61 1.04 -1.00 0.00 0.00 179.01 178.77 2d5k n GLN 80 N -3.86 0.63 -1.78 2.33 6.02 -0.95 -4.96 117.38 114.79 2d5k n GLN 80 Ca -0.11 0.26 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 2d5k n GLN 80 Cb 0.87 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 2d5k n GLN 80 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2d5k s SER 81 N -5.95 6.40 0.00 1.08 0.15 -0.02 -4.86 113.70 110.50 2d5k s SER 81 Ca -0.04 2.89 0.26 0.00 0.70 0.00 0.00 55.95 59.77 2d5k s SER 81 Cb 0.08 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.54 2d5k s SER 81 CO 0.82 -0.92 1.57 2.30 1.20 0.00 0.00 173.24 178.22 2d5k n ILE 82 N 2.81 0.00 -3.19 6.45 -5.35 -1.26 -4.71 119.36 114.11 2d5k n ILE 82 Ca 0.11 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 62.08 2d5k n ILE 82 Cb 0.37 0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 38.54 2d5k n ILE 82 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2d5k s VAL 83 N -2.56 5.05 0.32 7.28 1.01 -1.26 -5.06 120.40 125.18 2d5k s VAL 83 Ca 0.23 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 2d5k s VAL 83 Cb 0.19 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2d5k s VAL 83 CO 0.54 0.10 0.56 -0.54 0.00 0.00 0.00 175.10 175.76 2d5k s LYS 84 N 2.09 3.55 0.73 2.72 -0.14 -1.26 -4.86 119.74 122.58 2d5k s LYS 84 Ca 0.24 -0.15 -0.13 0.00 -1.36 0.00 0.00 55.97 54.58 2d5k s LYS 84 Cb -0.16 -2.65 0.04 0.00 -1.68 0.00 0.00 37.83 33.38 2d5k s LYS 84 CO 0.09 0.17 1.11 -1.21 -0.76 0.00 0.00 175.35 174.75 2d5k s GLU 85 N -3.94 2.43 0.36 1.68 2.02 -1.26 -4.96 118.70 115.03 2d5k s GLU 85 Ca 0.42 1.30 -0.28 0.00 0.02 0.00 0.00 54.97 56.43 2d5k s GLU 85 Cb -0.10 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.11 2d5k s GLU 85 CO 0.34 -1.53 1.41 0.00 0.02 0.00 0.00 175.26 175.49 2d5k s ALA 86 N -2.62 3.52 0.71 5.21 0.00 -1.26 -5.03 121.76 122.29 2d5k s ALA 86 Ca 0.64 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 54.04 2d5k s ALA 86 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2d5k s ALA 86 CO 0.50 -0.89 0.03 0.00 0.00 0.00 0.00 175.76 175.39 2d5k n ALA 87 N 0.56 -0.02 -2.42 0.00 0.00 -1.26 -5.05 120.51 112.32 2d5k n ALA 87 Ca 0.01 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 2d5k n ALA 87 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 2d5k n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2d5k s LYS 88 N -2.77 4.23 -0.43 0.00 -0.14 -1.26 -4.74 119.74 114.63 2d5k s LYS 88 Ca 0.02 0.68 -0.36 0.00 -1.36 0.00 0.00 55.97 54.94 2d5k s LYS 88 Cb -0.00 -3.30 0.05 0.00 -1.68 0.00 0.00 37.83 32.91 2d5k s LYS 88 CO 0.01 0.49 0.63 0.41 -0.76 0.00 0.00 175.35 176.14 2d5k n GLY 89 N 2.16 0.07 3.94 -3.33 0.00 -1.26 -5.02 105.19 101.75 2d5k n GLY 89 Ca -0.09 1.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.81 2d5k n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d5k s TYR 90 N -1.51 3.45 0.50 1.61 1.51 -1.26 -5.10 117.35 116.55 2d5k s TYR 90 Ca 0.36 0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 2d5k s TYR 90 Cb -0.04 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 2d5k s TYR 90 CO 0.83 0.01 0.72 -1.54 -1.11 0.00 0.00 175.55 174.47 2d5k s SER 91 N -4.07 5.53 0.20 2.29 1.04 -1.26 -4.89 113.70 112.54 2d5k s SER 91 Ca 0.42 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.85 2d5k s SER 91 Cb -0.10 -1.16 0.16 0.00 0.10 0.00 0.00 66.02 65.02 2d5k s SER 91 CO 0.37 -0.94 1.86 0.00 0.98 0.00 0.00 173.24 175.51 2d5k h ALA 92 N 0.23 0.89 -0.70 5.32 0.00 -1.95 -1.50 119.26 121.55 2d5k h ALA 92 Ca -0.44 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2d5k h ALA 92 Cb 1.28 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2d5k h ALA 92 CO 0.54 0.25 0.42 1.49 0.00 0.00 0.00 179.25 181.96 2d5k h GLU 93 N 0.89 0.78 -0.12 0.00 4.81 -1.93 -1.90 114.58 117.11 2d5k h GLU 93 Ca 0.27 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2d5k h GLU 93 Cb -0.04 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2d5k h GLU 93 CO -0.08 0.51 -0.29 1.96 -0.73 0.00 0.00 179.01 180.38 2d5k h GLN 94 N 0.80 0.22 -0.30 1.92 4.20 -1.77 -0.72 115.11 119.46 2d5k h GLN 94 Ca 0.29 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2d5k h GLN 94 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2d5k h GLN 94 CO -0.14 0.50 -0.02 0.52 -0.67 0.00 0.00 178.83 179.02 2d5k h MET 95 N 0.20 0.55 -0.34 1.46 2.86 -0.55 -1.11 114.93 117.99 2d5k h MET 95 Ca 0.03 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 2d5k h MET 95 Cb 0.62 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2d5k h MET 95 CO 0.05 0.71 -0.30 0.28 1.06 0.00 0.00 176.91 178.71 2d5k h VAL 96 N 0.34 1.28 -0.69 -2.22 2.07 -1.17 -1.49 116.25 114.37 2d5k h VAL 96 Ca 0.08 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 2d5k h VAL 96 Cb 0.48 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2d5k h VAL 96 CO 0.02 0.47 0.32 -0.33 0.02 0.00 0.00 177.57 178.08 2d5k h GLU 97 N 0.62 1.00 -0.37 1.57 5.08 -1.01 -0.22 114.58 121.25 2d5k h GLU 97 Ca 0.07 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2d5k h GLU 97 Cb 0.82 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2d5k h GLU 97 CO 0.07 0.79 -0.22 1.49 -1.00 0.00 0.00 179.01 180.14 2d5k h GLU 98 N 0.96 0.80 -0.53 2.33 4.81 -0.99 -1.93 114.58 120.03 2d5k h GLU 98 Ca 0.24 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2d5k h GLU 98 Cb 0.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2d5k h GLU 98 CO -0.03 1.00 0.12 -0.07 -0.73 0.00 0.00 179.01 179.30 2d5k h LEU 99 N 0.59 0.76 -0.61 1.64 3.38 -1.10 0.15 115.31 120.11 2d5k h LEU 99 Ca 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2d5k h LEU 99 Cb 0.79 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2d5k h LEU 99 CO 0.06 0.75 0.26 -1.28 0.09 0.00 0.00 178.44 178.32 2d5k h SER 100 N 0.78 0.83 -0.60 -0.43 0.87 -0.82 0.15 113.55 114.33 2d5k h SER 100 Ca 0.17 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 2d5k h SER 100 Cb 0.30 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2d5k h SER 100 CO -0.00 0.76 -0.02 -0.61 -0.53 0.00 0.00 176.83 176.43 2d5k h GLN 101 N 0.85 1.07 -0.52 2.24 5.75 -0.84 0.00 115.11 123.67 2d5k h GLN 101 Ca 0.21 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2d5k h GLN 101 Cb 0.18 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2d5k h GLN 101 CO -0.02 1.06 0.29 -0.44 -2.65 0.00 0.00 178.83 177.07 2d5k h ASP 102 N 0.97 0.65 -0.17 -0.69 3.32 -0.52 0.16 116.42 120.14 2d5k h ASP 102 Ca 0.17 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2d5k h ASP 102 Cb 0.59 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2d5k h ASP 102 CO 0.03 0.55 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.70 2d5k h PHE 103 N 0.70 0.60 -0.33 4.55 -1.00 -0.46 0.16 116.94 121.16 2d5k h PHE 103 Ca 0.18 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 2d5k h PHE 103 Cb 0.04 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 2d5k h PHE 103 CO -0.02 0.67 0.01 1.15 -1.61 0.00 0.00 178.31 178.52 2d5k h THR 104 N 0.51 1.25 -0.61 -1.55 2.02 -0.57 -0.33 112.91 113.63 2d5k h THR 104 Ca 0.09 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 2d5k h THR 104 Cb 0.55 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2d5k h THR 104 CO 0.03 0.31 0.17 0.78 0.37 0.00 0.00 175.52 177.18 2d5k h ASN 105 N 0.39 0.91 -0.43 4.18 2.35 -0.58 -2.30 115.58 120.10 2d5k h ASN 105 Ca 0.10 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 2d5k h ASN 105 Cb 0.42 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2d5k h ASN 105 CO 0.01 0.89 0.10 0.40 -1.65 0.00 0.00 177.43 177.19 2d5k h ILE 106 N 0.88 1.23 -0.79 2.81 1.08 -0.58 -1.84 117.51 120.30 2d5k h ILE 106 Ca 0.19 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 2d5k h ILE 106 Cb 0.32 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 2d5k h ILE 106 CO -0.00 0.28 0.47 -1.28 -0.69 0.00 0.00 178.15 176.94 2d5k h SER 107 N 0.56 0.95 -0.47 1.72 0.87 -0.93 0.13 113.55 116.39 2d5k h SER 107 Ca 0.14 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2d5k h SER 107 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2d5k h SER 107 CO 0.00 0.74 0.01 0.50 -0.53 0.00 0.00 176.83 177.55 2d5k h LYS 108 N 1.10 0.82 -0.83 2.24 3.64 -1.22 -1.45 116.57 120.87 2d5k h LYS 108 Ca 0.29 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2d5k h LYS 108 Cb -0.04 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2d5k h LYS 108 CO -0.05 0.87 0.37 1.96 -2.27 0.00 0.00 179.45 180.32 2d5k h GLN 109 N 0.67 1.21 -0.33 1.90 4.20 -0.61 -2.70 115.11 119.44 2d5k h GLN 109 Ca 0.13 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2d5k h GLN 109 Cb 0.49 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2d5k h GLN 109 CO 0.02 0.95 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.02 2d5k h LEU 110 N 1.19 0.50 -0.57 1.46 3.38 -0.42 -0.31 115.31 120.54 2d5k h LEU 110 Ca 0.28 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2d5k h LEU 110 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2d5k h LEU 110 CO -0.03 0.60 0.35 -0.08 0.09 0.00 0.00 178.44 179.37 2d5k h GLU 111 N 0.50 0.68 -0.23 1.13 4.57 -0.94 0.16 114.58 120.46 2d5k h GLU 111 Ca 0.10 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 2d5k h GLU 111 Cb 0.39 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2d5k h GLU 111 CO 0.02 0.45 -0.09 -0.97 -1.18 0.00 0.00 179.01 177.23 2d5k h ASN 112 N 0.70 0.47 -0.81 1.04 -1.24 -1.37 -2.80 115.58 111.57 2d5k h ASN 112 Ca 0.23 -0.40 0.04 0.00 0.71 0.00 0.00 56.30 56.88 2d5k h ASN 112 Cb 0.00 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.88 2d5k h ASN 112 CO -0.09 0.77 0.53 0.00 -1.29 0.00 0.00 177.43 177.35 2d5k h ALA 113 N 0.72 1.52 -0.56 1.57 0.00 -0.58 -0.16 119.26 121.78 2d5k h ALA 113 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2d5k h ALA 113 Cb 0.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2d5k h ALA 113 CO 0.03 0.39 0.17 0.82 0.00 0.00 0.00 179.25 180.66 2d5k h ILE 114 N 0.98 1.24 -0.36 0.00 2.04 -0.61 -0.13 117.51 120.67 2d5k h ILE 114 Ca 0.33 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 2d5k h ILE 114 Cb 0.06 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2d5k h ILE 114 CO -0.10 0.30 -0.32 -0.33 0.00 0.00 0.00 178.15 177.71 2d5k h GLU 115 N 0.79 0.81 -0.29 2.37 5.08 -1.09 -0.91 114.58 121.33 2d5k h GLU 115 Ca 0.18 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2d5k h GLU 115 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2d5k h GLU 115 CO -0.01 1.01 0.06 0.82 -1.00 0.00 0.00 179.01 179.89 2d5k h ILE 116 N 0.68 1.23 -0.34 3.13 1.08 -0.84 -0.37 117.51 122.07 2d5k h ILE 116 Ca 0.07 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 2d5k h ILE 116 Cb 0.86 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2d5k h ILE 116 CO 0.08 0.25 0.12 0.00 -0.69 0.00 0.00 178.15 177.91 2d5k h ALA 117 N 0.89 0.45 -0.68 1.87 0.00 -0.93 -1.53 119.26 119.32 2d5k h ALA 117 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2d5k h ALA 117 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2d5k h ALA 117 CO 0.00 0.07 0.35 0.78 0.00 0.00 0.00 179.25 180.45 2d5k h GLY 118 N 0.40 1.03 1.72 0.00 0.00 -1.09 -0.57 103.07 104.56 2d5k h GLY 118 Ca 0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2d5k h GLY 118 CO -0.01 0.47 -0.02 -0.57 0.00 0.00 0.00 176.54 176.41 2d5k h ASN 119 N 0.93 0.32 0.23 0.19 -1.24 -0.86 -1.89 115.58 113.27 2d5k h ASN 119 Ca 0.23 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.19 2d5k h ASN 119 Cb 0.08 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2d5k h ASN 119 CO -0.03 0.40 -0.06 0.00 -1.29 0.00 0.00 177.43 176.44 2d5k n ALA 120 N -2.49 2.70 -1.02 1.57 0.00 -0.59 -4.90 120.51 115.78 2d5k n ALA 120 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 2d5k n ALA 120 Cb 0.22 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 2d5k n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d5k n GLY 121 N 1.20 0.47 3.41 0.00 0.00 -0.71 -4.80 105.19 104.77 2d5k n GLY 121 Ca 0.17 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2d5k n GLY 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d5k s ASP 122 N -2.23 7.18 0.49 1.61 -1.08 -0.28 -4.80 116.67 117.56 2d5k s ASP 122 Ca 0.00 -3.25 0.28 0.00 -0.52 0.00 0.00 52.55 49.06 2d5k s ASP 122 Cb 0.00 -2.32 1.01 0.00 -1.46 0.00 0.00 42.92 40.15 2d5k s ASP 122 CO 0.00 -0.56 1.86 0.44 0.52 0.00 0.00 175.17 177.43 2d5k h ASP 123 N 6.95 0.00 0.07 -0.34 3.32 -1.91 -2.18 116.42 122.32 2d5k h ASP 123 Ca 0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2d5k h ASP 123 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2d5k h ASP 123 CO 1.15 0.10 -0.03 0.58 -1.72 0.00 0.00 179.24 179.32 2d5k h VAL 124 N 0.00 1.21 -0.68 -1.35 2.07 -1.95 -1.60 116.25 113.96 2d5k h VAL 124 Ca -0.00 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2d5k h VAL 124 Cb 0.70 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2d5k h VAL 124 CO 0.01 0.27 0.31 0.28 0.02 0.00 0.00 177.57 178.47 2d5k h SER 125 N -0.62 0.89 -0.57 0.57 0.02 -1.94 -1.66 113.55 110.23 2d5k h SER 125 Ca -0.01 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2d5k h SER 125 Cb 0.52 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2d5k h SER 125 CO 0.02 0.76 0.37 -0.08 -1.14 0.00 0.00 176.83 176.76 2d5k h GLU 126 N 0.97 0.73 -0.73 3.45 4.81 -1.36 -0.63 114.58 121.82 2d5k h GLU 126 Ca 0.24 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2d5k h GLU 126 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2d5k h GLU 126 CO -0.03 0.48 0.30 0.22 -0.73 0.00 0.00 179.01 179.26 2d5k h ASP 127 N 0.75 0.99 -0.61 1.04 3.58 -0.67 -0.81 116.42 120.69 2d5k h ASP 127 Ca 0.22 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 2d5k h ASP 127 Cb -0.05 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 2d5k h ASP 127 CO -0.06 0.87 0.07 0.24 -2.88 0.00 0.00 179.24 177.48 2d5k h MET 128 N 1.06 1.03 -0.59 0.28 2.86 -0.72 -0.73 114.93 118.12 2d5k h MET 128 Ca 0.25 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2d5k h MET 128 Cb 0.18 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2d5k h MET 128 CO -0.02 0.98 0.07 0.74 1.06 0.00 0.00 176.91 179.73 2d5k h PHE 129 N 0.94 1.03 -0.51 -0.22 0.04 -0.68 -1.62 116.94 115.92 2d5k h PHE 129 Ca 0.18 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2d5k h PHE 129 Cb 0.47 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2d5k h PHE 129 CO 0.03 0.89 0.19 0.82 -0.60 0.00 0.00 178.31 179.65 2d5k h ILE 130 N 0.91 1.22 -0.55 -0.55 1.08 -0.82 0.13 117.51 118.93 2d5k h ILE 130 Ca 0.18 -0.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2d5k h ILE 130 Cb 0.44 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2d5k h ILE 130 CO 0.01 0.26 0.36 1.23 -0.69 0.00 0.00 178.15 179.33 2d5k h GLY 131 N 0.68 0.77 0.91 5.37 0.00 -0.83 -0.46 103.07 109.50 2d5k h GLY 131 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2d5k h GLY 131 CO -0.01 0.28 0.10 1.98 0.00 0.00 0.00 176.54 178.89 2d5k h MET 132 N 0.74 0.45 -0.58 4.80 1.85 -1.03 -2.80 114.93 118.37 2d5k h MET 132 Ca 0.20 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 2d5k h MET 132 Cb -0.08 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 2d5k h MET 132 CO -0.05 0.50 0.34 0.37 -0.40 0.00 0.00 176.91 177.67 2d5k h GLN 133 N 0.32 0.79 -0.14 0.39 4.15 -0.64 -0.04 115.11 119.93 2d5k h GLN 133 Ca 0.10 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2d5k h GLN 133 Cb 0.23 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2d5k h GLN 133 CO -0.00 0.56 -0.01 1.15 -1.93 0.00 0.00 178.83 178.60 2d5k h THR 134 N 0.80 0.90 -0.28 2.39 2.02 -0.83 0.04 112.91 117.94 2d5k h THR 134 Ca 0.21 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.25 2d5k h THR 134 Cb -0.02 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2d5k h THR 134 CO -0.04 0.01 -0.32 -1.28 0.37 0.00 0.00 175.52 174.26 2d5k h SER 135 N 0.04 0.75 -0.19 4.18 0.87 -1.23 -2.25 113.55 115.72 2d5k h SER 135 Ca 0.07 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2d5k h SER 135 Cb 0.08 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2d5k h SER 135 CO -0.11 1.09 0.02 0.58 -0.53 0.00 0.00 176.83 177.87 2d5k h VAL 136 N 0.44 0.89 -0.71 2.23 2.07 -0.83 0.03 116.25 120.36 2d5k h VAL 136 Ca 0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2d5k h VAL 136 Cb 0.89 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2d5k h VAL 136 CO 0.08 0.02 0.28 0.44 0.02 0.00 0.00 177.57 178.40 2d5k h ASP 137 N 0.09 0.96 -0.17 0.57 3.32 -1.01 -0.23 116.42 119.96 2d5k h ASP 137 Ca 0.09 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2d5k h ASP 137 Cb 0.10 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2d5k h ASP 137 CO -0.13 0.85 0.06 0.50 -1.72 0.00 0.00 179.24 178.80 2d5k h LYS 138 N 1.02 0.26 -0.86 3.56 3.64 -0.88 -1.67 116.57 121.63 2d5k h LYS 138 Ca 0.24 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2d5k h LYS 138 Cb 0.20 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2d5k h LYS 138 CO -0.02 0.36 0.44 0.45 -2.27 0.00 0.00 179.45 178.41 2d5k h HIS 139 N 0.10 1.22 -0.77 1.91 3.86 -0.81 -2.59 115.15 118.07 2d5k h HIS 139 Ca 0.05 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2d5k h HIS 139 Cb 0.21 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2d5k h HIS 139 CO -0.00 0.87 0.31 -0.97 0.86 0.00 0.00 177.93 178.99 2d5k h ASN 140 N 1.22 1.06 -0.86 2.45 -1.24 -0.78 0.25 115.58 117.67 2d5k h ASN 140 Ca 0.30 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2d5k h ASN 140 Cb 0.08 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 2d5k h ASN 140 CO -0.04 0.93 0.54 -0.25 -1.29 0.00 0.00 177.43 177.33 2d5k h TRP 141 N 1.12 1.11 -0.54 0.67 7.01 -0.99 -0.54 115.95 123.79 2d5k h TRP 141 Ca 0.26 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.20 2d5k h TRP 141 Cb 0.21 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2d5k h TRP 141 CO 0.02 0.72 0.07 0.52 -2.79 0.00 0.00 178.44 176.98 2d5k h MET 142 N 1.18 0.90 -0.35 2.65 2.86 -0.97 -1.05 114.93 120.14 2d5k h MET 142 Ca 0.31 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2d5k h MET 142 Cb -0.09 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2d5k h MET 142 CO -0.06 0.88 0.21 0.74 1.06 0.00 0.00 176.91 179.74 2d5k h PHE 143 N 0.78 0.46 -0.55 -0.22 0.04 -0.46 -0.31 116.94 116.68 2d5k h PHE 143 Ca 0.16 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2d5k h PHE 143 Cb 0.43 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2d5k h PHE 143 CO 0.03 0.33 0.14 0.87 -0.60 0.00 0.00 178.31 179.09 2d5k h LYS 144 N 0.46 0.85 -0.51 1.51 1.57 -0.97 -1.37 116.57 118.10 2d5k h LYS 144 Ca 0.13 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2d5k h LYS 144 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2d5k h LYS 144 CO -0.02 0.75 -0.01 0.77 -0.57 0.00 0.00 179.45 180.37 2d5k h SER 145 N 0.82 0.90 -0.95 0.86 0.02 -0.76 -2.31 113.55 112.13 2d5k h SER 145 Ca 0.18 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2d5k h SER 145 Cb 0.28 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2d5k h SER 145 CO -0.00 0.99 0.62 0.22 -1.14 0.00 0.00 176.83 177.52 2d5k h TYR 146 N 0.78 1.18 0.00 3.45 3.20 -0.64 -1.17 116.97 123.77 2d5k h TYR 146 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2d5k h TYR 146 Cb 0.53 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2d5k h TYR 146 CO 0.04 0.71 0.00 1.28 -1.64 0.00 0.00 178.16 178.55 2d5k n LEU 147 N -4.45 0.00 0.00 2.82 4.77 -0.56 -5.11 117.00 114.48 2d5k n LEU 147 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2d5k n LEU 147 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2d5k n LEU 147 CO 0.36 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.22