#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 5.18 0.50 0.00 0.01 -1.26 -5.01 113.70 113.12 2d5k s SER 3 Ca 0.00 2.33 0.01 0.00 1.31 0.00 0.00 55.95 59.61 2d5k s SER 3 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2d5k s SER 3 CO 0.00 -1.60 0.03 0.54 0.41 0.00 0.00 173.24 172.62 2d5k s ASN 4 N -1.71 3.90 0.26 2.44 2.20 -1.26 -3.91 114.94 116.85 2d5k s ASN 4 Ca 0.76 -1.67 -0.03 0.00 -0.94 0.00 0.00 52.86 50.98 2d5k s ASN 4 Cb -0.29 0.55 0.44 0.00 -2.00 0.00 0.00 41.25 39.95 2d5k s ASN 4 CO 0.34 -0.88 1.83 -0.61 -2.94 0.00 0.00 177.10 174.83 2d5k h GLN 5 N 1.42 0.88 -1.01 3.55 5.75 -1.97 -1.42 115.11 122.31 2d5k h GLN 5 Ca -0.42 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.08 2d5k h GLN 5 Cb 1.31 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 29.60 2d5k h GLN 5 CO 0.71 0.58 0.65 1.96 -2.65 0.00 0.00 178.83 180.08 2d5k h GLN 6 N 0.90 1.19 -0.59 1.69 7.50 -1.98 -0.48 115.11 123.35 2d5k h GLN 6 Ca 0.43 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.46 2d5k h GLN 6 Cb 0.36 -0.27 -0.03 0.00 0.05 0.00 0.00 27.48 27.60 2d5k h GLN 6 CO -0.24 0.79 0.18 -0.44 -1.50 0.00 0.00 178.83 177.62 2d5k h ASP 7 N 1.22 0.82 -0.38 1.46 3.32 -1.66 -2.10 116.42 119.10 2d5k h ASP 7 Ca 0.42 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 2d5k h ASP 7 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2d5k h ASP 7 CO -0.15 0.78 -0.30 0.58 -1.72 0.00 0.00 179.24 178.43 2d5k h VAL 8 N 0.86 1.28 -0.86 -1.35 2.07 -0.90 -2.56 116.25 114.79 2d5k h VAL 8 Ca 0.19 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2d5k h VAL 8 Cb 0.26 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2d5k h VAL 8 CO -0.01 0.49 0.56 0.58 0.02 0.00 0.00 177.57 179.21 2d5k h VAL 9 N 0.68 1.15 -0.73 2.57 2.07 -0.81 0.12 116.25 121.30 2d5k h VAL 9 Ca 0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2d5k h VAL 9 Cb 0.88 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2d5k h VAL 9 CO 0.08 0.20 0.43 0.50 0.02 0.00 0.00 177.57 178.80 2d5k h LYS 10 N 1.08 1.00 -0.44 1.57 3.11 -1.17 0.72 116.57 122.44 2d5k h LYS 10 Ca 0.34 -0.10 -0.12 0.00 -2.81 0.00 0.00 60.65 57.96 2d5k h LYS 10 Cb 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 2d5k h LYS 10 CO -0.10 0.72 -0.22 0.93 -2.81 0.00 0.00 179.45 177.98 2d5k h GLU 11 N 1.00 0.88 -0.29 1.90 4.39 -0.80 -1.67 114.58 119.99 2d5k h GLU 11 Ca 0.26 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2d5k h GLU 11 Cb -0.02 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2d5k h GLU 11 CO -0.05 1.01 0.03 -0.07 -1.16 0.00 0.00 179.01 178.78 2d5k h LEU 12 N 0.77 0.47 -1.22 1.33 3.38 -0.30 -2.89 115.31 116.84 2d5k h LEU 12 Ca 0.10 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2d5k h LEU 12 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2d5k h LEU 12 CO 0.06 0.63 -0.22 0.78 0.09 0.00 0.00 178.44 179.78 2d5k h ASN 13 N 0.30 0.25 -0.92 -0.43 2.35 -0.81 -1.23 115.58 115.08 2d5k h ASN 13 Ca 0.09 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2d5k h ASN 13 Cb 0.37 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2d5k h ASN 13 CO 0.01 0.48 0.60 -0.61 -1.65 0.00 0.00 177.43 176.26 2d5k h GLN 14 N 0.23 1.11 -0.01 0.81 5.75 -1.12 0.39 115.11 122.28 2d5k h GLN 14 Ca 0.04 -0.07 -0.22 0.00 -0.15 0.00 0.00 58.65 58.26 2d5k h GLN 14 Cb 0.53 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 2d5k h GLN 14 CO 0.04 0.74 -0.91 1.96 -2.65 0.00 0.00 178.83 178.00 2d5k h GLN 15 N 1.15 0.37 -0.85 1.69 1.08 -1.23 -0.97 115.11 116.36 2d5k h GLN 15 Ca 0.37 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2d5k h GLN 15 Cb 0.03 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2d5k h GLN 15 CO -0.13 1.07 0.54 0.28 -0.95 0.00 0.00 178.83 179.64 2d5k h VAL 16 N 0.21 1.23 0.08 -0.54 2.07 -0.57 -0.42 116.25 118.31 2d5k h VAL 16 Ca -0.07 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2d5k h VAL 16 Cb 1.54 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2d5k h VAL 16 CO 0.15 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.93 2d5k h ALA 17 N 1.30 -0.11 -0.32 1.67 0.00 -0.86 -1.48 119.26 119.45 2d5k h ALA 17 Ca 0.31 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2d5k h ALA 17 Cb -0.10 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2d5k h ALA 17 CO -0.06 -0.43 -0.08 -0.91 0.00 0.00 0.00 179.25 177.76 2d5k h ASN 18 N -0.37 -0.31 1.44 0.00 2.35 -0.84 -1.95 115.58 115.91 2d5k h ASN 18 Ca -0.01 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2d5k h ASN 18 Cb 0.32 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2d5k h ASN 18 CO 0.02 -0.11 -0.12 -0.50 -1.65 0.00 0.00 177.43 175.07 2d5k h TRP 19 N -0.01 0.00 -0.15 1.19 4.06 -1.09 0.08 115.95 120.02 2d5k h TRP 19 Ca 0.15 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.95 2d5k h TRP 19 Cb 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2d5k h TRP 19 CO -0.30 0.12 -0.52 1.15 -3.56 0.00 0.00 178.44 175.33 2d5k h THR 20 N 0.00 1.33 -0.35 1.49 2.02 -0.90 0.61 112.91 117.11 2d5k h THR 20 Ca -0.00 -1.78 -0.07 0.00 0.77 0.00 0.00 66.41 65.33 2d5k h THR 20 Cb 0.88 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 2d5k h THR 20 CO 0.02 0.55 -0.05 0.58 0.37 0.00 0.00 175.52 176.98 2d5k h VAL 21 N 0.28 1.27 -0.49 3.16 2.07 -1.21 -2.87 116.25 118.46 2d5k h VAL 21 Ca -0.02 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2d5k h VAL 21 Cb 1.15 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2d5k h VAL 21 CO 0.11 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.29 2d5k h ALA 22 N 0.84 1.49 -0.49 1.67 0.00 -0.93 -1.39 119.26 120.45 2d5k h ALA 22 Ca 0.09 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2d5k h ALA 22 Cb 0.54 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2d5k h ALA 22 CO 0.03 0.41 0.09 -0.92 0.00 0.00 0.00 179.25 178.85 2d5k h TYR 23 N 0.69 0.14 0.02 0.00 3.20 -0.64 0.27 116.97 120.65 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 0.07 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2d5k h TYR 23 CO 0.01 -0.02 -0.99 1.15 -1.64 0.00 0.00 178.16 176.67 2d5k h THR 24 N 0.22 1.41 -0.39 1.81 2.02 -1.43 -2.81 112.91 113.73 2d5k h THR 24 Ca 0.25 -2.52 -0.05 0.00 0.77 0.00 0.00 66.41 64.86 2d5k h THR 24 Cb 0.33 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 2d5k h THR 24 CO -0.33 0.75 0.03 0.50 0.37 0.00 0.00 175.52 176.84 2d5k h LYS 25 N 0.22 0.60 0.00 6.66 3.64 -0.67 -0.79 116.57 126.23 2d5k h LYS 25 Ca -0.09 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2d5k h LYS 25 Cb 1.64 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2d5k h LYS 25 CO 0.17 0.60 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.43 2d5k h LEU 26 N 0.58 0.00 -0.30 5.20 3.38 -0.45 -1.04 115.31 122.67 2d5k h LEU 26 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2d5k h LEU 26 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2d5k h LEU 26 CO 0.01 0.45 -0.32 0.45 0.09 0.00 0.00 178.44 179.12 2d5k h HIS 27 N 0.00 0.90 -0.16 1.13 3.86 -1.04 -0.28 115.15 119.57 2d5k h HIS 27 Ca -0.00 -0.28 0.03 0.00 -1.16 0.00 0.00 60.37 58.96 2d5k h HIS 27 Cb 0.84 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2d5k h HIS 27 CO 0.00 1.04 -0.03 -0.97 0.86 0.00 0.00 177.93 178.83 2d5k h ASN 28 N 0.50 -0.13 -0.47 2.45 -0.73 -0.73 0.66 115.58 117.14 2d5k h ASN 28 Ca 0.04 0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 2d5k h ASN 28 Cb 0.90 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 2d5k h ASN 28 CO 0.08 -0.04 0.03 -0.26 -0.37 0.00 0.00 177.43 176.86 2d5k h PHE 29 N 0.01 0.93 -0.88 0.67 0.04 -1.15 0.12 116.94 116.67 2d5k h PHE 29 Ca 0.07 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2d5k h PHE 29 Cb 0.11 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 2d5k h PHE 29 CO -0.18 0.83 0.58 1.25 -0.60 0.00 0.00 178.31 180.19 2d5k h HIS 30 N 0.81 1.07 0.17 -0.55 -0.00 -0.35 -1.22 115.15 115.09 2d5k h HIS 30 Ca 0.16 0.03 -0.31 0.00 -0.00 0.00 0.00 60.37 60.25 2d5k h HIS 30 Cb 0.45 -0.36 0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2d5k h HIS 30 CO 0.03 0.63 -1.50 -1.49 -0.00 0.00 0.00 177.93 175.60 2d5k h TRP 31 N 1.12 0.64 -0.01 5.26 6.55 -0.35 -3.39 115.95 125.77 2d5k h TRP 31 Ca 0.34 -0.47 0.00 0.00 0.95 0.00 0.00 58.89 59.72 2d5k h TRP 31 Cb -0.01 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.26 2d5k h TRP 31 CO -0.00 1.58 -0.31 0.66 -1.05 0.00 0.00 178.44 179.33 2d5k n TYR 32 N -3.78 0.00 -1.85 0.49 4.01 0.36 -4.95 117.16 111.44 2d5k n TYR 32 Ca -0.23 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.10 2d5k n TYR 32 Cb 0.99 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 -2.56 2.14 0.15 -0.72 0.11 -0.47 -4.97 120.40 114.09 2d5k s VAL 33 Ca 0.22 0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 2d5k s VAL 33 Cb 0.19 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 2d5k s VAL 33 CO 0.55 0.03 0.07 -0.54 -3.33 0.00 0.00 175.10 171.88 2d5k s LYS 34 N -2.00 1.01 0.00 1.54 1.02 -1.26 -4.94 119.74 115.11 2d5k s LYS 34 Ca 0.53 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 55.02 2d5k s LYS 34 Cb -0.46 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2d5k s LYS 34 CO 0.61 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 2d5k n GLY 35 N -0.15 1.09 0.24 -3.33 0.00 -1.26 -4.26 105.19 97.52 2d5k n GLY 35 Ca -0.04 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.61 1.61 0.13 -2.07 -1.28 132.00 129.79 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 -2.57 5.08 -0.05 1.44 3.02 -1.26 -4.65 115.26 116.26 2d5k n ASN 37 Ca -0.02 -2.64 -0.08 0.00 -0.03 0.00 0.00 54.58 51.81 2d5k n ASN 37 Cb 0.10 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 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 3.97 -0.58 -0.43 3.10 3.57 -1.49 -1.85 116.94 123.22 2d5k h PHE 38 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2d5k h PHE 38 Cb 1.64 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.64 2d5k h PHE 38 CO 0.87 -0.30 0.25 0.74 -2.23 0.00 0.00 178.31 177.64 2d5k h PHE 39 N -0.22 0.47 -0.03 0.41 0.04 -1.85 0.14 116.94 115.90 2d5k h PHE 39 Ca 0.14 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 2d5k h PHE 39 Cb 0.44 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 2d5k h PHE 39 CO -0.38 0.27 0.00 0.77 -0.60 0.00 0.00 178.31 178.37 2d5k h SER 40 N 0.51 0.05 -0.25 2.17 0.02 -1.87 -3.02 113.55 111.15 2d5k h SER 40 Ca 0.17 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 2d5k h SER 40 Cb 0.02 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2d5k h SER 40 CO -0.08 0.31 -0.29 -0.07 -1.14 0.00 0.00 176.83 175.56 2d5k h LEU 41 N -0.20 0.78 -0.63 5.07 3.38 -1.25 -0.49 115.31 121.96 2d5k h LEU 41 Ca 0.01 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2d5k h LEU 41 Cb 0.28 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2d5k h LEU 41 CO 0.00 1.02 0.30 -0.74 0.09 0.00 0.00 178.44 179.10 2d5k h HIS 42 N 0.64 0.53 -0.07 1.13 2.76 -0.75 0.30 115.15 119.69 2d5k h HIS 42 Ca 0.08 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 2d5k h HIS 42 Cb 0.81 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.63 2d5k h HIS 42 CO 0.04 0.20 -0.24 0.28 -1.30 0.00 0.00 177.93 176.91 2d5k h VAL 43 N 0.53 1.43 -0.92 5.26 2.07 -1.38 -3.15 116.25 120.08 2d5k h VAL 43 Ca 0.30 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.28 2d5k h VAL 43 Cb 0.30 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 2d5k h VAL 43 CO -0.24 0.46 0.57 0.50 0.02 0.00 0.00 177.57 178.88 2d5k h LYS 44 N -0.21 0.96 -0.10 1.57 1.63 -0.67 -0.72 116.57 119.02 2d5k h LYS 44 Ca -0.01 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 2d5k h LYS 44 Cb 0.87 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2d5k h LYS 44 CO 0.05 0.64 -0.19 0.74 -3.45 0.00 0.00 179.45 177.24 2d5k h PHE 45 N 0.99 0.18 -0.22 1.91 0.04 -1.00 -1.18 116.94 117.66 2d5k h PHE 45 Ca 0.42 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.99 2d5k h PHE 45 Cb 0.27 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2d5k h PHE 45 CO -0.02 0.35 -0.55 1.49 -0.60 0.00 0.00 178.31 178.98 2d5k h GLU 46 N 0.16 0.76 -0.90 1.51 4.81 -1.13 -1.32 114.58 118.47 2d5k h GLU 46 Ca 0.03 -0.53 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2d5k h GLU 46 Cb 0.43 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2d5k h GLU 46 CO 0.03 1.15 0.60 0.93 -0.73 0.00 0.00 179.01 180.99 2d5k h GLU 47 N 0.49 1.19 -0.34 1.92 5.08 -0.85 -0.85 114.58 121.21 2d5k h GLU 47 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2d5k h GLU 47 Cb 1.17 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2d5k h GLU 47 CO 0.12 0.78 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.77 2d5k h LEU 48 N 1.22 0.66 -0.86 1.33 3.38 -1.04 -1.84 115.31 118.16 2d5k h LEU 48 Ca 0.33 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2d5k h LEU 48 Cb -0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2d5k h LEU 48 CO -0.07 0.87 -0.38 0.10 0.09 0.00 0.00 178.44 179.05 2d5k h TYR 49 N 0.44 0.00 -0.38 1.13 -0.00 -0.86 0.39 116.97 117.69 2d5k h TYR 49 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.70 2d5k h TYR 49 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.29 2d5k h TYR 49 CO 0.05 0.38 -0.23 -0.91 -0.00 0.00 0.00 178.16 177.45 2d5k h ASN 50 N 0.00 0.76 -0.18 0.10 2.35 -1.04 -1.09 115.58 116.49 2d5k h ASN 50 Ca -0.00 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 2d5k h ASN 50 Cb 0.93 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2d5k h ASN 50 CO 0.05 0.97 -0.40 -0.08 -1.65 0.00 0.00 177.43 176.32 2d5k h GLU 51 N 0.66 0.71 -0.73 0.81 4.81 -0.89 -2.74 114.58 117.20 2d5k h GLU 51 Ca 0.09 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2d5k h GLU 51 Cb 0.74 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2d5k h GLU 51 CO 0.06 0.99 0.45 0.00 -0.73 0.00 0.00 179.01 179.77 2d5k h ALA 52 N 0.97 0.93 -0.53 2.92 0.00 -0.49 -2.04 119.26 121.02 2d5k h ALA 52 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2d5k h ALA 52 Cb 0.94 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2d5k h ALA 52 CO 0.09 0.38 0.19 0.66 0.00 0.00 0.00 179.25 180.57 2d5k h SER 53 N 0.99 0.71 -0.70 0.00 4.64 -1.06 -1.36 113.55 116.77 2d5k h SER 53 Ca 0.26 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 2d5k h SER 53 Cb -0.05 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 2d5k h SER 53 CO -0.05 0.66 0.19 1.56 -0.87 0.00 0.00 176.83 178.32 2d5k h GLN 54 N 0.76 1.11 -0.24 4.77 4.20 -1.09 -2.41 115.11 122.21 2d5k h GLN 54 Ca 0.18 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2d5k h GLN 54 Cb 0.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2d5k h GLN 54 CO -0.01 0.97 0.05 1.88 -0.67 0.00 0.00 178.83 181.05 2d5k h TYR 55 N 1.05 0.41 -0.61 2.96 0.05 -0.79 -1.10 116.97 118.94 2d5k h TYR 55 Ca 0.22 -0.05 0.08 0.00 0.05 0.00 0.00 58.73 59.04 2d5k h TYR 55 Cb 0.34 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 37.90 2d5k h TYR 55 CO 0.03 0.50 0.26 0.28 -1.05 0.00 0.00 178.16 178.17 2d5k h VAL 56 N 0.20 0.82 -0.20 -2.88 2.07 -1.13 -0.19 116.25 114.93 2d5k h VAL 56 Ca 0.07 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 2d5k h VAL 56 Cb 0.30 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2d5k h VAL 56 CO 0.00 0.09 -0.30 -0.78 0.02 0.00 0.00 177.57 176.60 2d5k h ASP 57 N 0.47 0.62 0.20 0.57 3.58 -1.34 -1.63 116.42 118.88 2d5k h ASP 57 Ca 0.30 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 2d5k h ASP 57 Cb 0.33 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2d5k h ASP 57 CO -0.27 1.01 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.91 2d5k h GLU 58 N 0.24 -0.29 -0.34 0.28 4.81 -0.82 -0.87 114.58 117.59 2d5k h GLU 58 Ca 0.02 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2d5k h GLU 58 Cb 0.88 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2d5k h GLU 58 CO 0.07 -0.19 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.85 2d5k h LEU 59 N -0.30 0.69 -0.62 1.64 3.38 -1.11 -2.20 115.31 116.79 2d5k h LEU 59 Ca -0.02 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2d5k h LEU 59 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2d5k h LEU 59 CO 0.02 0.91 0.16 0.00 0.09 0.00 0.00 178.44 179.63 2d5k h ALA 60 N 1.14 0.81 0.00 1.53 0.00 -1.14 -1.80 119.26 119.80 2d5k h ALA 60 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d5k h ALA 60 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2d5k h ALA 60 CO 0.06 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2d5k h GLU 61 N 0.90 0.00 0.10 0.00 5.08 -1.02 -2.41 114.58 117.23 2d5k h GLU 61 Ca 0.20 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.30 2d5k h GLU 61 Cb 0.34 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.61 2d5k h GLU 61 CO -0.00 0.00 -1.08 -0.09 -1.00 0.00 0.00 179.01 176.84 2d5k h ARG 62 N 0.00 0.55 -0.90 2.33 9.65 -0.96 -1.62 114.38 123.42 2d5k h ARG 62 Ca 0.00 -0.73 0.07 0.00 -1.10 0.00 0.00 59.98 58.22 2d5k h ARG 62 Cb 0.62 0.24 -0.06 0.00 -1.39 0.00 0.00 29.97 29.38 2d5k h ARG 62 CO 0.00 1.32 0.58 0.82 2.80 0.00 0.00 179.97 185.49 2d5k h ILE 63 N 0.12 1.05 -0.52 1.20 2.04 -1.05 0.13 117.51 120.48 2d5k h ILE 63 Ca -0.16 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 2d5k h ILE 63 Cb 1.78 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2d5k h ILE 63 CO 0.21 0.18 -0.17 -0.07 0.00 0.00 0.00 178.15 178.30 2d5k h LEU 64 N 1.00 1.04 -2.38 1.44 3.38 -1.37 0.37 115.31 118.79 2d5k h LEU 64 Ca 0.39 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2d5k h LEU 64 Cb 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2d5k h LEU 64 CO -0.15 1.18 -0.00 0.00 0.09 0.00 0.00 178.44 179.55 2d5k h ALA 65 N 0.90 1.00 -0.46 1.53 0.00 0.01 -1.29 119.26 120.95 2d5k h ALA 65 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2d5k h ALA 65 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2d5k h ALA 65 CO 0.06 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.64 2d5k n VAL 66 N -3.09 1.48 -1.01 0.00 0.24 -0.63 -4.96 118.33 110.36 2d5k n VAL 66 Ca -0.02 -1.23 -0.00 0.00 -2.04 0.00 0.00 64.34 61.05 2d5k n VAL 66 Cb 0.17 0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.61 0.44 3.11 7.63 0.00 -0.48 -5.05 105.19 111.45 2d5k n GLY 67 Ca 0.19 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.95 1.58 3.20 -0.02 0.00 0.13 -4.99 105.19 102.13 2d5k n GLY 68 Ca -0.00 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.98 5.00 0.27 1.61 0.02 -1.26 -4.20 114.94 112.40 2d5k s ASN 69 Ca 0.50 -1.26 -0.29 0.00 -1.02 0.00 0.00 52.86 50.78 2d5k s ASN 69 Cb -0.04 -1.75 -0.10 0.00 0.02 0.00 0.00 41.25 39.39 2d5k s ASN 69 CO 0.32 -0.28 1.27 -2.84 0.02 0.00 0.00 177.10 175.59 2d5k s PRO 70 N 1.28 4.42 -0.09 -0.60 0.02 -1.26 -4.89 135.00 133.88 2d5k s PRO 70 Ca -0.04 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 2d5k s PRO 70 Cb -0.20 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 31.10 2d5k s PRO 70 CO -0.00 -0.14 2.06 1.33 -0.33 0.00 0.00 177.00 179.92 2d5k n VAL 71 N 1.53 0.57 -1.01 3.83 0.24 -1.26 -4.86 118.33 117.37 2d5k n VAL 71 Ca 0.02 -0.25 0.06 0.00 -2.04 0.00 0.00 64.34 62.13 2d5k n VAL 71 Cb 0.43 -2.30 0.30 0.00 -1.47 0.00 0.00 33.84 30.79 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 5.05 3.81 3.05 7.63 0.00 -1.26 -4.97 105.19 118.49 2d5k n GLY 72 Ca 0.25 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.87 0.25 0.23 2.61 -4.23 -1.26 -5.04 115.64 105.33 2d5k s THR 73 Ca 0.47 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2d5k s THR 73 Cb 0.38 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 2d5k s THR 73 CO 0.11 -0.70 1.57 -0.07 -0.54 0.00 0.00 174.62 174.98 2d5k h LEU 74 N 3.94 0.47 -0.52 4.79 3.38 -1.99 -2.53 115.31 122.85 2d5k h LEU 74 Ca -0.33 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.41 2d5k h LEU 74 Cb 1.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2d5k h LEU 74 CO 0.52 0.90 0.33 0.74 0.09 0.00 0.00 178.44 181.02 2d5k h THR 75 N 0.34 1.10 -0.53 0.22 2.02 -1.99 -0.36 112.91 113.70 2d5k h THR 75 Ca 0.01 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2d5k h THR 75 Cb 1.01 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2d5k h THR 75 CO 0.09 0.12 -0.04 -0.33 0.37 0.00 0.00 175.52 175.73 2d5k h GLU 76 N 0.66 0.96 -0.51 6.66 5.08 -1.96 -2.76 114.58 122.72 2d5k h GLU 76 Ca 0.20 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2d5k h GLU 76 Cb -0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2d5k h GLU 76 CO -0.06 0.99 0.33 0.00 -1.00 0.00 0.00 179.01 179.27 2d5k h LEU 78 N 0.69 0.00 -0.13 0.00 3.38 -0.97 -0.23 115.31 118.05 2d5k h LEU 78 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 2d5k h LEU 78 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2d5k h LEU 78 CO -0.04 0.07 -0.71 -0.33 0.09 0.00 0.00 178.44 177.52 2d5k h GLU 79 N 0.00 0.71 0.04 1.13 5.08 -1.05 -3.36 114.58 117.13 2d5k h GLU 79 Ca -0.00 -0.59 -0.31 0.00 -1.00 0.00 0.00 59.36 57.46 2d5k h GLU 79 Cb 0.14 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2d5k h GLU 79 CO 0.01 1.20 -1.71 1.96 -1.00 0.00 0.00 179.01 179.47 2d5k h GLN 80 N 0.40 0.09 -6.53 2.33 4.20 -1.12 -3.48 115.11 110.99 2d5k h GLN 80 Ca -0.05 -0.16 -0.60 0.00 0.06 0.00 0.00 58.65 57.90 2d5k h GLN 80 Cb 1.35 0.06 0.09 0.00 0.30 0.00 0.00 27.48 29.28 2d5k h GLN 80 CO 0.15 0.77 0.49 0.45 -0.67 0.00 0.00 178.83 180.02 2d5k n SER 81 N -3.22 2.32 -0.07 1.46 2.88 -0.13 -4.89 113.62 111.98 2d5k n SER 81 Ca -0.19 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 2d5k n SER 81 Cb 1.04 -1.37 0.20 0.00 -0.75 0.00 0.00 64.21 63.33 2d5k n SER 81 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2d5k n ILE 82 N 1.55 0.00 -3.12 2.46 -5.35 -1.26 -4.76 119.36 108.89 2d5k n ILE 82 Ca 0.12 -0.04 -0.40 0.00 -0.27 0.00 0.00 62.75 62.16 2d5k n ILE 82 Cb 0.30 0.45 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.88 5.01 0.30 7.28 1.01 -1.26 -5.05 120.40 124.80 2d5k s VAL 83 Ca 0.13 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 2d5k s VAL 83 Cb 0.18 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2d5k s VAL 83 CO 0.69 0.09 0.52 -0.54 0.00 0.00 0.00 175.10 175.86 2d5k s LYS 84 N 2.07 3.55 0.73 2.72 -0.14 -1.26 -4.86 119.74 122.56 2d5k s LYS 84 Ca 0.28 -0.19 -0.13 0.00 -1.36 0.00 0.00 55.97 54.57 2d5k s LYS 84 Cb -0.16 -2.69 0.04 0.00 -1.68 0.00 0.00 37.83 33.35 2d5k s LYS 84 CO 0.10 0.22 1.11 -1.21 -0.76 0.00 0.00 175.35 174.81 2d5k s GLU 85 N -3.82 2.36 0.46 1.68 2.02 -1.26 -4.96 118.70 115.18 2d5k s GLU 85 Ca 0.41 1.35 -0.24 0.00 0.02 0.00 0.00 54.97 56.51 2d5k s GLU 85 Cb -0.10 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 2d5k s GLU 85 CO 0.32 -1.58 1.30 0.00 0.02 0.00 0.00 175.26 175.32 2d5k s ALA 86 N -2.56 3.08 0.54 5.21 0.00 -1.26 -5.04 121.76 121.73 2d5k s ALA 86 Ca 0.65 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.93 2d5k s ALA 86 Cb -0.20 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.49 2d5k s ALA 86 CO 0.49 -0.97 0.72 0.00 0.00 0.00 0.00 175.76 176.00 2d5k s ALA 87 N -1.33 4.65 0.33 0.00 0.00 -1.26 -5.11 121.76 119.05 2d5k s ALA 87 Ca 0.63 -2.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 2d5k s ALA 87 Cb -0.37 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 2d5k s ALA 87 CO 0.46 -0.72 0.61 0.15 0.00 0.00 0.00 175.76 176.26 2d5k s LYS 88 N -4.58 3.64 -0.66 0.00 1.02 -1.26 -4.55 119.74 113.36 2d5k s LYS 88 Ca 0.59 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.64 2d5k s LYS 88 Cb -0.06 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2d5k s LYS 88 CO 0.37 0.13 0.18 0.41 -0.92 0.00 0.00 175.35 175.51 2d5k n GLY 89 N -1.17 0.14 3.76 -3.33 0.00 -1.26 -5.03 105.19 98.30 2d5k n GLY 89 Ca -0.01 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.68 3.69 0.68 1.61 1.51 -1.26 -5.07 117.35 115.83 2d5k s TYR 90 Ca 0.09 1.25 -0.08 0.00 -1.01 0.00 0.00 57.07 57.31 2d5k s TYR 90 Cb -0.04 -2.66 0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2d5k s TYR 90 CO 0.11 0.32 1.02 -1.54 -1.11 0.00 0.00 175.55 174.35 2d5k s SER 91 N -0.11 5.14 0.22 2.29 1.04 -1.26 -4.85 113.70 116.18 2d5k s SER 91 Ca 0.33 0.73 -0.08 0.00 0.48 0.00 0.00 55.95 57.41 2d5k s SER 91 Cb -0.19 -1.49 0.28 0.00 0.10 0.00 0.00 66.02 64.73 2d5k s SER 91 CO 0.18 -1.42 1.82 0.00 0.98 0.00 0.00 173.24 174.80 2d5k h ALA 92 N -0.55 1.00 -0.62 5.32 0.00 -1.94 -0.57 119.26 121.91 2d5k h ALA 92 Ca -0.45 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2d5k h ALA 92 Cb 1.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2d5k h ALA 92 CO 0.62 0.11 0.37 1.49 0.00 0.00 0.00 179.25 181.84 2d5k h GLU 93 N 0.77 0.84 -0.07 0.00 4.22 -1.93 -1.64 114.58 116.77 2d5k h GLU 93 Ca 0.33 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.62 2d5k h GLU 93 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2d5k h GLU 93 CO -0.19 0.61 -0.29 1.96 -2.18 0.00 0.00 179.01 178.92 2d5k h GLN 94 N 0.84 0.13 -0.15 1.92 4.20 -1.71 -0.04 115.11 120.31 2d5k h GLN 94 Ca 0.22 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2d5k h GLN 94 Cb -0.01 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2d5k h GLN 94 CO -0.04 0.42 -0.04 0.52 -0.67 0.00 0.00 178.83 179.02 2d5k h MET 95 N 0.12 0.28 -0.48 1.46 2.86 -0.55 -1.25 114.93 117.37 2d5k h MET 95 Ca 0.02 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2d5k h MET 95 Cb 0.58 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2d5k h MET 95 CO 0.04 0.57 -0.02 0.28 1.06 0.00 0.00 176.91 178.84 2d5k h VAL 96 N -0.02 1.25 -0.44 -2.22 2.07 -1.05 -1.06 116.25 114.78 2d5k h VAL 96 Ca 0.04 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2d5k h VAL 96 Cb 0.47 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2d5k h VAL 96 CO 0.01 0.37 0.24 -0.33 0.02 0.00 0.00 177.57 177.88 2d5k h GLU 97 N 0.76 0.61 -0.53 1.57 5.08 -0.89 -0.28 114.58 120.89 2d5k h GLU 97 Ca 0.14 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2d5k h GLU 97 Cb 0.49 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2d5k h GLU 97 CO 0.02 0.48 -0.05 1.49 -1.00 0.00 0.00 179.01 179.96 2d5k h GLU 98 N 0.57 0.97 -0.70 2.33 4.81 -0.89 -1.45 114.58 120.22 2d5k h GLU 98 Ca 0.15 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2d5k h GLU 98 Cb 0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2d5k h GLU 98 CO -0.02 1.00 0.28 -0.07 -0.73 0.00 0.00 179.01 179.47 2d5k h LEU 99 N 0.84 0.95 -0.48 1.64 3.38 -1.00 0.66 115.31 121.30 2d5k h LEU 99 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2d5k h LEU 99 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2d5k h LEU 99 CO 0.04 0.85 0.25 -1.28 0.09 0.00 0.00 178.44 178.38 2d5k h SER 100 N 1.01 0.61 -0.74 -0.43 0.87 -0.69 0.18 113.55 114.36 2d5k h SER 100 Ca 0.23 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2d5k h SER 100 Cb 0.20 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2d5k h SER 100 CO -0.02 0.55 0.27 -0.61 -0.53 0.00 0.00 176.83 176.49 2d5k h GLN 101 N 0.63 1.14 -0.33 2.24 5.75 -0.73 0.22 115.11 124.03 2d5k h GLN 101 Ca 0.17 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2d5k h GLN 101 Cb 0.08 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 2d5k h GLN 101 CO -0.02 0.94 0.16 -0.44 -2.65 0.00 0.00 178.83 176.82 2d5k h ASP 102 N 1.10 0.43 -0.12 -0.69 3.32 -0.27 -0.81 116.42 119.38 2d5k h ASP 102 Ca 0.25 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2d5k h ASP 102 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2d5k h ASP 102 CO -0.02 0.42 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.57 2d5k h PHE 103 N 0.40 0.46 -0.37 4.55 -1.00 -0.28 0.12 116.94 120.82 2d5k h PHE 103 Ca 0.11 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.78 2d5k h PHE 103 Cb 0.10 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 2d5k h PHE 103 CO -0.02 0.53 -0.00 1.15 -1.61 0.00 0.00 178.31 178.35 2d5k h THR 104 N 0.41 1.26 -0.48 -1.55 2.02 -0.65 -0.36 112.91 113.55 2d5k h THR 104 Ca 0.08 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 2d5k h THR 104 Cb 0.42 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2d5k h THR 104 CO 0.02 0.33 0.15 0.78 0.37 0.00 0.00 175.52 177.17 2d5k h ASN 105 N 0.47 0.71 -0.46 4.18 2.35 -0.54 -2.34 115.58 119.95 2d5k h ASN 105 Ca 0.10 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2d5k h ASN 105 Cb 0.46 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2d5k h ASN 105 CO 0.02 0.73 0.07 0.40 -1.65 0.00 0.00 177.43 176.99 2d5k h ILE 106 N 0.65 1.25 -0.84 2.81 2.04 -0.70 -1.91 117.51 120.82 2d5k h ILE 106 Ca 0.16 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2d5k h ILE 106 Cb 0.27 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2d5k h ILE 106 CO -0.00 0.32 0.56 -1.28 0.00 0.00 0.00 178.15 177.74 2d5k h SER 107 N 0.62 0.95 -0.52 1.72 0.87 -0.94 0.17 113.55 116.43 2d5k h SER 107 Ca 0.14 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 2d5k h SER 107 Cb 0.39 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2d5k h SER 107 CO 0.01 0.68 -0.03 0.50 -0.53 0.00 0.00 176.83 177.47 2d5k h LYS 108 N 1.12 0.93 -0.76 2.24 3.64 -1.19 -1.58 116.57 120.97 2d5k h LYS 108 Ca 0.31 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2d5k h LYS 108 Cb -0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2d5k h LYS 108 CO -0.07 0.96 0.28 1.96 -2.27 0.00 0.00 179.45 180.31 2d5k h GLN 109 N 0.80 1.15 -0.21 1.90 4.20 -0.51 -2.67 115.11 119.77 2d5k h GLN 109 Ca 0.14 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2d5k h GLN 109 Cb 0.56 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2d5k h GLN 109 CO 0.03 0.95 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.91 2d5k h LEU 110 N 1.10 0.33 -0.59 1.46 3.38 -0.40 -0.09 115.31 120.50 2d5k h LEU 110 Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2d5k h LEU 110 Cb 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2d5k h LEU 110 CO -0.02 0.52 0.38 -0.08 0.09 0.00 0.00 178.44 179.33 2d5k h GLU 111 N 0.32 0.79 -0.36 1.13 4.57 -0.94 0.98 114.58 121.06 2d5k h GLU 111 Ca 0.06 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2d5k h GLU 111 Cb 0.48 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2d5k h GLU 111 CO 0.03 0.54 -0.28 -0.97 -1.18 0.00 0.00 179.01 177.15 2d5k h ASN 112 N 0.80 0.87 -0.76 1.04 -1.24 -1.34 -2.85 115.58 112.10 2d5k h ASN 112 Ca 0.21 -0.45 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 2d5k h ASN 112 Cb -0.06 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 2d5k h ASN 112 CO -0.04 1.13 0.44 0.00 -1.29 0.00 0.00 177.43 177.67 2d5k h ALA 113 N 0.77 1.33 -0.51 1.57 0.00 -0.56 -1.10 119.26 120.76 2d5k h ALA 113 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2d5k h ALA 113 Cb 0.86 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2d5k h ALA 113 CO 0.07 0.56 0.20 0.82 0.00 0.00 0.00 179.25 180.91 2d5k h ILE 114 N 1.06 1.21 -0.42 0.00 2.04 -0.74 -0.57 117.51 120.09 2d5k h ILE 114 Ca 0.27 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2d5k h ILE 114 Cb -0.01 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2d5k h ILE 114 CO -0.05 0.25 0.15 -0.08 0.00 0.00 0.00 178.15 178.42 2d5k h GLU 115 N 0.68 0.65 -0.23 2.37 4.81 -1.20 -1.66 114.58 120.00 2d5k h GLU 115 Ca 0.17 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2d5k h GLU 115 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2d5k h GLU 115 CO -0.01 0.63 0.14 0.82 -0.73 0.00 0.00 179.01 179.85 2d5k h ILE 116 N 0.54 1.10 -0.26 2.32 1.08 -1.01 -0.92 117.51 120.36 2d5k h ILE 116 Ca 0.14 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2d5k h ILE 116 Cb 0.24 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2d5k h ILE 116 CO -0.01 0.09 0.17 0.00 -0.69 0.00 0.00 178.15 177.72 2d5k h ALA 117 N 1.04 0.34 -0.51 1.87 0.00 -1.01 -1.26 119.26 119.72 2d5k h ALA 117 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2d5k h ALA 117 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2d5k h ALA 117 CO -0.02 -0.20 0.29 0.78 0.00 0.00 0.00 179.25 180.11 2d5k h GLY 118 N 0.36 0.75 1.93 0.00 0.00 -1.16 0.45 103.07 105.39 2d5k h GLY 118 Ca 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2d5k h GLY 118 CO -0.02 0.32 -0.15 3.43 0.00 0.00 0.00 176.54 180.11 2d5k h ASN 119 N 0.68 0.09 0.71 0.19 -0.26 -0.94 -1.68 115.58 114.38 2d5k h ASN 119 Ca 0.18 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2d5k h ASN 119 Cb 0.03 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2d5k h ASN 119 CO -0.03 0.25 -0.16 0.00 -1.06 0.00 0.00 177.43 176.44 2d5k n ALA 120 N -2.50 2.75 -0.88 -0.83 0.00 -0.50 -4.54 120.51 114.02 2d5k n ALA 120 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2d5k n ALA 120 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.44 0.53 3.40 0.00 0.00 -0.63 -4.74 105.19 105.20 2d5k n GLY 121 Ca 0.09 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.26 7.10 0.50 1.61 -1.08 0.06 -4.81 116.67 117.79 2d5k s ASP 122 Ca 0.00 -3.12 0.29 0.00 -0.52 0.00 0.00 52.55 49.20 2d5k s ASP 122 Cb 0.00 -2.30 0.95 0.00 -1.46 0.00 0.00 42.92 40.11 2d5k s ASP 122 CO 0.00 -0.57 1.83 0.44 0.52 0.00 0.00 175.17 177.39 2d5k h ASP 123 N 7.19 0.00 -0.01 -0.34 3.32 -1.91 -2.15 116.42 122.52 2d5k h ASP 123 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2d5k h ASP 123 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2d5k h ASP 123 CO 1.09 0.03 -0.02 0.58 -1.72 0.00 0.00 179.24 179.19 2d5k h VAL 124 N 0.00 1.50 -0.54 -1.35 2.07 -1.95 -1.67 116.25 114.31 2d5k h VAL 124 Ca -0.00 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 2d5k h VAL 124 Cb 0.72 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2d5k h VAL 124 CO 0.00 0.40 0.13 0.28 0.02 0.00 0.00 177.57 178.40 2d5k h SER 125 N -0.60 0.78 -0.40 0.57 0.02 -1.95 -1.51 113.55 110.46 2d5k h SER 125 Ca -0.00 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2d5k h SER 125 Cb 0.66 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2d5k h SER 125 CO 0.01 0.76 0.23 -0.08 -1.14 0.00 0.00 176.83 176.61 2d5k h GLU 126 N 0.80 0.46 -0.75 3.45 4.81 -1.37 -0.73 114.58 121.24 2d5k h GLU 126 Ca 0.18 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2d5k h GLU 126 Cb 0.29 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2d5k h GLU 126 CO -0.00 0.30 0.38 0.22 -0.73 0.00 0.00 179.01 179.18 2d5k h ASP 127 N 0.47 0.95 -0.62 1.04 3.58 -0.72 -1.18 116.42 119.95 2d5k h ASP 127 Ca 0.16 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 2d5k h ASP 127 Cb 0.01 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2d5k h ASP 127 CO -0.08 0.79 0.05 0.24 -2.88 0.00 0.00 179.24 177.36 2d5k h MET 128 N 1.06 1.06 -0.58 0.28 2.86 -0.67 -0.95 114.93 117.99 2d5k h MET 128 Ca 0.26 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2d5k h MET 128 Cb 0.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2d5k h MET 128 CO -0.04 1.02 0.07 0.74 1.06 0.00 0.00 176.91 179.76 2d5k h PHE 129 N 0.97 1.00 -0.27 -0.22 0.04 -0.67 -1.76 116.94 116.02 2d5k h PHE 129 Ca 0.18 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2d5k h PHE 129 Cb 0.51 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2d5k h PHE 129 CO 0.04 0.86 0.12 0.82 -0.60 0.00 0.00 178.31 179.55 2d5k h ILE 130 N 0.88 1.17 -0.75 -0.55 1.08 -0.86 0.43 117.51 118.90 2d5k h ILE 130 Ca 0.18 -0.50 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2d5k h ILE 130 Cb 0.42 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 2d5k h ILE 130 CO 0.01 0.17 0.47 1.23 -0.69 0.00 0.00 178.15 179.35 2d5k h GLY 131 N 0.30 1.09 0.88 5.37 0.00 -0.97 -0.41 103.07 109.33 2d5k h GLY 131 Ca 0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2d5k h GLY 131 CO -0.01 0.30 0.04 1.98 0.00 0.00 0.00 176.54 178.85 2d5k h MET 132 N 0.92 0.49 -0.49 4.80 1.85 -1.04 -2.84 114.93 118.63 2d5k h MET 132 Ca 0.31 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.25 2d5k h MET 132 Cb 0.03 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 2d5k h MET 132 CO -0.12 0.61 0.26 0.37 -0.40 0.00 0.00 176.91 177.63 2d5k h GLN 133 N 0.31 0.67 0.03 0.39 4.15 -0.52 0.06 115.11 120.19 2d5k h GLN 133 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2d5k h GLN 133 Cb 0.36 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2d5k h GLN 133 CO 0.01 0.50 -0.11 1.15 -1.93 0.00 0.00 178.83 178.45 2d5k h THR 134 N 0.67 0.74 -0.38 2.39 2.02 -0.86 -0.31 112.91 117.19 2d5k h THR 134 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 2d5k h THR 134 Cb 0.03 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2d5k h THR 134 CO -0.03 0.00 -0.25 -1.28 0.37 0.00 0.00 175.52 174.33 2d5k h SER 135 N -0.20 0.88 -0.28 4.18 0.87 -1.23 -2.22 113.55 115.55 2d5k h SER 135 Ca 0.03 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.19 2d5k h SER 135 Cb 0.23 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2d5k h SER 135 CO -0.09 1.12 0.10 0.58 -0.53 0.00 0.00 176.83 178.01 2d5k h VAL 136 N 0.64 0.93 -0.64 2.23 2.07 -0.84 -0.20 116.25 120.45 2d5k h VAL 136 Ca 0.08 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2d5k h VAL 136 Cb 0.82 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2d5k h VAL 136 CO 0.07 0.04 0.13 0.44 0.02 0.00 0.00 177.57 178.27 2d5k h ASP 137 N 0.23 0.97 -0.06 0.57 3.32 -1.03 -0.46 116.42 119.95 2d5k h ASP 137 Ca 0.12 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2d5k h ASP 137 Cb 0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2d5k h ASP 137 CO -0.12 0.95 0.02 0.50 -1.72 0.00 0.00 179.24 178.87 2d5k h LYS 138 N 0.97 0.10 -0.94 3.56 3.64 -1.02 -1.58 116.57 121.29 2d5k h LYS 138 Ca 0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2d5k h LYS 138 Cb 0.37 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 2d5k h LYS 138 CO 0.00 0.24 0.55 0.45 -2.27 0.00 0.00 179.45 178.43 2d5k h HIS 139 N -0.07 1.26 -0.81 1.91 3.86 -0.90 -2.43 115.15 117.97 2d5k h HIS 139 Ca 0.02 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2d5k h HIS 139 Cb 0.18 -0.41 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 2d5k h HIS 139 CO -0.01 0.84 0.40 -0.97 0.86 0.00 0.00 177.93 179.05 2d5k h ASN 140 N 1.30 1.04 -0.64 2.45 -1.24 -0.81 0.80 115.58 118.48 2d5k h ASN 140 Ca 0.34 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 2d5k h ASN 140 Cb -0.03 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.72 2d5k h ASN 140 CO -0.06 0.86 0.39 -0.25 -1.29 0.00 0.00 177.43 177.08 2d5k h TRP 141 N 1.14 0.85 -0.56 0.67 7.01 -0.83 -0.14 115.95 124.09 2d5k h TRP 141 Ca 0.28 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 2d5k h TRP 141 Cb 0.09 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 2d5k h TRP 141 CO 0.01 0.58 0.26 0.52 -2.79 0.00 0.00 178.44 177.02 2d5k h MET 142 N 0.87 0.81 -0.16 2.65 2.86 -0.86 -0.53 114.93 120.58 2d5k h MET 142 Ca 0.23 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2d5k h MET 142 Cb -0.02 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2d5k h MET 142 CO -0.04 0.67 0.10 0.74 1.06 0.00 0.00 176.91 179.45 2d5k h PHE 143 N 0.75 0.20 -0.30 -0.22 0.04 -0.40 -0.35 116.94 116.67 2d5k h PHE 143 Ca 0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2d5k h PHE 143 Cb 0.14 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2d5k h PHE 143 CO -0.00 0.12 0.07 0.87 -0.60 0.00 0.00 178.31 178.78 2d5k h LYS 144 N 0.21 0.43 -0.26 1.51 1.57 -0.83 -0.68 116.57 118.52 2d5k h LYS 144 Ca 0.06 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2d5k h LYS 144 Cb -0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2d5k h LYS 144 CO -0.01 0.40 -0.34 0.77 -0.57 0.00 0.00 179.45 179.70 2d5k h SER 145 N 0.42 0.75 -0.90 0.86 0.02 -0.63 -1.75 113.55 112.33 2d5k h SER 145 Ca 0.10 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2d5k h SER 145 Cb 0.17 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2d5k h SER 145 CO -0.00 1.10 0.59 0.22 -1.14 0.00 0.00 176.83 177.59 2d5k h TYR 146 N 0.41 1.13 0.00 3.45 3.20 -0.52 -2.50 116.97 122.15 2d5k h TYR 146 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2d5k h TYR 146 Cb 0.92 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2d5k h TYR 146 CO 0.08 0.72 0.00 1.28 -1.64 0.00 0.00 178.16 178.60 2d5k n LEU 147 N -4.39 0.73 -4.74 2.82 4.77 -0.31 -4.90 117.00 110.97 2d5k n LEU 147 Ca 0.10 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.25 2d5k n LEU 147 Cb 0.02 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 2d5k n LEU 147 CO 0.37 -0.22 1.15 -0.24 -1.33 0.00 0.00 177.39 177.12 2d5k n SER 148 N -2.20 3.63 -4.80 -1.43 2.88 -0.67 -4.97 113.62 106.06 2d5k n SER 148 Ca 0.05 1.18 -0.33 0.00 -1.33 0.00 0.00 58.87 58.44 2d5k n SER 148 Cb 0.39 -1.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.27 2d5k n SER 148 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2d5k s LEU 149 N -1.03 3.63 0.00 2.46 1.02 -1.26 -5.06 118.68 118.44 2d5k s LEU 149 Ca 0.60 1.87 0.00 0.00 0.02 0.00 0.00 54.13 56.62 2d5k s LEU 149 Cb -0.51 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.16 2d5k s LEU 149 CO 0.55 -1.03 0.00 -0.62 0.02 0.00 0.00 176.35 175.27