#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgh s HIS 2 N 0.00 2.94 -0.22 6.34 5.04 -1.26 -4.83 115.29 123.31 2pgh s HIS 2 Ca 0.00 -1.63 -0.04 0.00 -1.54 0.00 0.00 55.06 51.85 2pgh s HIS 2 Cb 0.00 -4.61 -0.01 0.00 0.04 0.00 0.00 32.58 27.99 2pgh s HIS 2 CO 0.00 -1.71 -0.02 -0.51 -2.34 0.00 0.00 174.74 170.16 2pgh s LEU 3 N 3.60 3.04 0.74 8.88 1.43 -1.26 -5.10 118.68 130.01 2pgh s LEU 3 Ca 0.49 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2pgh s LEU 3 Cb 0.01 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2pgh s LEU 3 CO 0.02 0.00 1.08 -0.94 0.23 0.00 0.00 176.35 176.75 2pgh s SER 4 N 1.35 5.06 0.25 2.29 1.04 -1.26 -4.74 113.70 117.68 2pgh s SER 4 Ca 0.04 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 57.77 2pgh s SER 4 Cb -0.14 -2.14 0.50 0.00 0.10 0.00 0.00 66.02 64.33 2pgh s SER 4 CO -0.01 -1.61 1.68 0.00 0.98 0.00 0.00 173.24 174.28 2pgh h ALA 5 N -0.84 0.99 0.22 5.32 0.00 -1.99 0.17 119.26 123.14 2pgh h ALA 5 Ca -0.46 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2pgh h ALA 5 Cb 1.25 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2pgh h ALA 5 CO 0.60 -0.36 -0.11 0.93 0.00 0.00 0.00 179.25 180.31 2pgh h GLU 6 N 0.25 -0.29 -0.82 0.00 3.07 -2.00 -2.78 114.58 112.02 2pgh h GLU 6 Ca 0.44 0.02 0.19 0.00 -0.50 0.00 0.00 59.36 59.51 2pgh h GLU 6 Cb 0.77 0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.63 2pgh h GLU 6 CO -0.54 0.09 0.29 0.93 -1.40 0.00 0.00 179.01 178.37 2pgh h GLU 7 N -0.76 0.33 -0.61 2.33 5.08 -1.72 -1.64 114.58 117.60 2pgh h GLU 7 Ca -0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2pgh h GLU 7 Cb 0.50 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2pgh h GLU 7 CO 0.05 0.22 0.16 -0.22 -1.00 0.00 0.00 179.01 178.22 2pgh h LYS 8 N 0.34 0.96 0.00 2.33 3.64 -0.64 -2.13 116.57 121.08 2pgh h LYS 8 Ca 0.49 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2pgh h LYS 8 Cb 0.88 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2pgh h LYS 8 CO -0.52 0.88 -0.25 1.49 -2.27 0.00 0.00 179.45 178.77 2pgh h GLU 9 N 0.88 0.00 0.17 1.90 4.81 -1.04 -2.65 114.58 118.65 2pgh h GLU 9 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2pgh h GLU 9 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2pgh h GLU 9 CO -0.00 0.25 -0.08 0.00 -0.73 0.00 0.00 179.01 178.45 2pgh h ALA 10 N 1.75 -0.23 -0.08 2.92 0.00 -0.71 -1.08 119.26 121.83 2pgh h ALA 10 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2pgh h ALA 10 Cb 0.51 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2pgh h ALA 10 CO 0.03 -0.34 -0.19 -0.39 0.00 0.00 0.00 179.25 178.36 2pgh h VAL 11 N -0.80 0.53 0.00 0.00 -1.51 -1.33 0.19 116.25 113.33 2pgh h VAL 11 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.42 2pgh h VAL 11 Cb 0.52 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 2pgh h VAL 11 CO 0.04 0.00 -0.13 -0.07 -1.23 0.00 0.00 177.57 176.18 2pgh h LEU 12 N -0.27 0.00 -0.98 4.19 3.38 -1.60 0.27 115.31 120.30 2pgh h LEU 12 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2pgh h LEU 12 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2pgh h LEU 12 CO -0.23 0.13 -0.42 1.23 0.09 0.00 0.00 178.44 179.24 2pgh h GLY 13 N 1.73 0.00 1.18 0.83 0.00 0.24 -3.24 103.07 103.80 2pgh h GLY 13 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 2pgh h GLY 13 CO 0.02 0.00 -1.35 -2.00 0.00 0.00 0.00 176.54 173.21 2pgh h LEU 14 N 0.00 0.00 -0.88 3.11 7.12 0.14 -3.36 115.31 121.44 2pgh h LEU 14 Ca -0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 2pgh h LEU 14 Cb 0.89 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 2pgh h LEU 14 CO 0.05 0.71 -0.46 -0.25 -0.13 0.00 0.00 178.44 178.36 2pgh h TRP 15 N 0.00 0.26 0.00 1.25 -0.00 -1.29 -2.62 115.95 113.55 2pgh h TRP 15 Ca -0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 2pgh h TRP 15 Cb 1.68 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.79 2pgh h TRP 15 CO 0.00 0.64 0.00 0.78 -0.00 0.00 0.00 178.44 179.86 2pgh h GLY 16 N 1.31 0.00 -1.38 2.65 0.00 -1.71 -0.18 103.07 103.76 2pgh h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2pgh h GLY 16 CO 0.07 0.00 -0.28 0.28 0.00 0.00 0.00 176.54 176.61 2pgh n LYS 17 N -2.64 1.67 -3.44 4.80 5.02 -0.99 -4.92 118.16 117.66 2pgh n LYS 17 Ca -0.01 -1.39 -0.37 0.00 -2.02 0.00 0.00 58.31 54.52 2pgh n LYS 17 Cb 0.10 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2pgh n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pgh s VAL 18 N -2.28 5.24 -0.38 -0.18 1.01 -0.08 -5.02 120.40 118.71 2pgh s VAL 18 Ca 0.22 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 2pgh s VAL 18 Cb 0.19 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2pgh s VAL 18 CO 0.46 0.31 0.71 0.21 0.00 0.00 0.00 175.10 176.79 2pgh s ASN 19 N 0.80 6.45 0.17 3.32 3.04 -1.26 -4.93 114.94 122.53 2pgh s ASN 19 Ca 0.19 0.10 -0.11 0.00 0.04 0.00 0.00 52.86 53.08 2pgh s ASN 19 Cb -0.14 -2.36 0.07 0.00 -1.54 0.00 0.00 41.25 37.28 2pgh s ASN 19 CO 0.07 -0.71 1.69 1.62 -3.04 0.00 0.00 177.10 176.72 2pgh h VAL 20 N 5.78 1.25 -0.24 -5.21 3.04 -1.96 -1.02 116.25 117.89 2pgh h VAL 20 Ca -0.25 -0.88 0.06 0.00 -1.01 0.00 0.00 66.70 64.62 2pgh h VAL 20 Cb 1.10 0.69 -0.06 0.00 -2.01 0.00 0.00 31.29 31.01 2pgh h VAL 20 CO 0.89 0.33 -0.16 0.44 -1.01 0.00 0.00 177.57 178.06 2pgh h ASP 21 N 0.85 -0.52 0.58 3.17 3.32 -1.94 -2.47 116.42 119.41 2pgh h ASP 21 Ca 0.19 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2pgh h ASP 21 Cb 0.33 0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.15 2pgh h ASP 21 CO -0.00 -0.20 -0.28 -0.08 -1.72 0.00 0.00 179.24 176.96 2pgh h GLU 22 N -0.15 -0.76 0.12 3.56 4.57 -1.94 -3.32 114.58 116.68 2pgh h GLU 22 Ca 0.13 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2pgh h GLU 22 Cb 0.35 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2pgh h GLU 22 CO -0.33 -0.44 -0.33 0.28 -1.18 0.00 0.00 179.01 177.01 2pgh h VAL 23 N -1.01 0.00 -1.53 0.32 2.07 -1.08 -2.84 116.25 112.18 2pgh h VAL 23 Ca -0.08 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.88 2pgh h VAL 23 Cb 0.66 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2pgh h VAL 23 CO 0.13 0.00 1.09 1.23 0.02 0.00 0.00 177.57 180.05 2pgh h GLY 24 N -0.50 0.08 1.37 2.17 0.00 -1.60 -0.31 103.07 104.29 2pgh h GLY 24 Ca -0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 2pgh h GLY 24 CO -0.15 -0.02 -1.44 -1.33 0.00 0.00 0.00 176.54 173.60 2pgh h GLY 25 N 0.01 0.14 1.50 4.60 0.00 -1.60 -3.08 103.07 104.63 2pgh h GLY 25 Ca 0.74 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 47.48 2pgh h GLY 25 CO -0.03 0.31 -0.93 -2.09 0.00 0.00 0.00 176.54 173.81 2pgh h GLU 26 N 0.03 0.46 0.56 4.80 4.81 -0.95 -2.12 114.58 122.18 2pgh h GLU 26 Ca -0.19 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 2pgh h GLU 26 Cb 1.95 0.13 0.01 0.00 0.63 0.00 0.00 28.75 31.47 2pgh h GLU 26 CO 0.13 1.12 -0.27 0.00 -0.73 0.00 0.00 179.01 179.27 2pgh h ALA 27 N 0.71 -0.75 0.00 2.92 0.00 -1.34 0.88 119.26 121.67 2pgh h ALA 27 Ca -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2pgh h ALA 27 Cb 1.56 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2pgh h ALA 27 CO 0.16 -0.74 -0.04 1.25 0.00 0.00 0.00 179.25 179.89 2pgh h LEU 28 N -1.12 0.00 -0.03 0.00 5.85 -1.66 0.17 115.31 118.51 2pgh h LEU 28 Ca -0.08 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2pgh h LEU 28 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2pgh h LEU 28 CO 0.13 0.04 -0.28 1.23 -0.34 0.00 0.00 178.44 179.21 2pgh h GLY 29 N 0.24 0.28 1.98 3.75 0.00 -1.30 -2.69 103.07 105.34 2pgh h GLY 29 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2pgh h GLY 29 CO 0.00 0.37 -0.15 3.21 0.00 0.00 0.00 176.54 179.98 2pgh h ARG 30 N -0.32 0.02 0.91 4.80 3.08 0.68 -1.32 114.38 122.24 2pgh h ARG 30 Ca -0.03 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2pgh h ARG 30 Cb 0.97 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.02 2pgh h ARG 30 CO 0.06 0.17 -0.44 1.25 -1.07 0.00 0.00 179.97 179.94 2pgh h LEU 31 N 0.02 -1.03 -2.11 3.04 5.85 -0.67 0.37 115.31 120.77 2pgh h LEU 31 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2pgh h LEU 31 Cb 0.27 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2pgh h LEU 31 CO 0.02 -0.71 0.32 -0.07 -0.34 0.00 0.00 178.44 177.66 2pgh h LEU 32 N -1.26 0.00 0.00 2.25 4.07 -1.14 -1.06 115.31 118.17 2pgh h LEU 32 Ca -0.12 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.67 2pgh h LEU 32 Cb 0.94 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 2pgh h LEU 32 CO 0.20 0.00 -0.94 0.58 -1.08 0.00 0.00 178.44 177.21 2pgh h VAL 33 N 0.00 0.91 -0.15 1.22 2.07 -0.66 -3.38 116.25 116.26 2pgh h VAL 33 Ca 0.11 -2.02 -0.09 0.00 0.82 0.00 0.00 66.70 65.52 2pgh h VAL 33 Cb 0.75 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2pgh h VAL 33 CO -0.00 0.31 -0.32 0.58 0.02 0.00 0.00 177.57 178.16 2pgh h VAL 34 N -1.00 1.27 -2.83 2.57 2.07 -0.05 -3.36 116.25 114.92 2pgh h VAL 34 Ca -0.24 -1.31 -0.61 0.00 0.82 0.00 0.00 66.70 65.36 2pgh h VAL 34 Cb 1.12 1.51 -0.41 0.00 -1.52 0.00 0.00 31.29 31.99 2pgh h VAL 34 CO -0.15 0.40 -0.69 -1.22 0.02 0.00 0.00 177.57 175.93 2pgh n TYR 35 N -4.10 2.09 -0.35 1.57 4.01 -0.42 -5.00 117.16 114.96 2pgh n TYR 35 Ca -0.01 -4.02 0.01 0.00 -0.16 0.00 0.00 57.90 53.71 2pgh n TYR 35 Cb 0.42 -0.38 0.06 0.00 -0.31 0.00 0.00 39.34 39.13 2pgh n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2pgh n PRO 36 N 2.13 -0.18 -0.36 -0.72 -0.02 -1.26 -0.61 135.00 133.98 2pgh n PRO 36 Ca 0.23 1.42 0.36 0.00 -2.02 0.00 0.00 63.50 63.49 2pgh n PRO 36 Cb 0.39 -2.10 0.74 0.00 -0.02 0.00 0.00 33.50 32.51 2pgh n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pgh h TRP 37 N 0.00 0.06 0.00 6.00 0.09 -1.94 -0.12 115.95 120.03 2pgh h TRP 37 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 59.31 2pgh h TRP 37 Cb 0.58 -0.02 -0.00 0.00 0.08 0.00 0.00 29.16 29.80 2pgh h TRP 37 CO -0.78 -0.00 -0.08 1.79 0.09 0.00 0.00 178.44 179.46 2pgh h THR 38 N 0.03 0.94 -0.70 0.12 1.35 -1.20 -2.67 112.91 110.79 2pgh h THR 38 Ca 0.61 -0.27 0.20 0.00 -0.55 0.00 0.00 66.41 66.40 2pgh h THR 38 Cb 2.36 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 69.90 2pgh h THR 38 CO -0.04 0.07 0.51 1.56 -0.25 0.00 0.00 175.52 177.38 2pgh h GLN 39 N 0.00 0.00 -0.14 4.72 4.20 -1.19 -3.12 115.11 119.58 2pgh h GLN 39 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2pgh h GLN 39 Cb 0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2pgh h GLN 39 CO 0.01 0.00 -0.33 0.07 -0.67 0.00 0.00 178.83 177.91 2pgh h ARG 40 N 0.00 -0.30 0.00 1.46 0.11 -1.67 0.68 114.38 114.66 2pgh h ARG 40 Ca 0.33 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.43 2pgh h ARG 40 Cb 1.34 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.49 2pgh h ARG 40 CO -0.00 -0.20 0.55 0.74 0.10 0.00 0.00 179.97 181.16 2pgh h PHE 41 N -0.31 0.00 0.00 4.08 0.04 -1.79 -2.98 116.94 115.97 2pgh h PHE 41 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2pgh h PHE 41 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2pgh h PHE 41 CO -0.58 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.32 2pgh n PHE 42 N -2.19 0.00 0.00 -0.55 3.72 -0.13 -4.90 117.46 113.41 2pgh n PHE 42 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2pgh n PHE 42 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2pgh n PHE 42 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2pgh n GLU 43 N -0.11 0.00 -0.12 -1.08 2.13 0.05 -4.35 120.64 117.17 2pgh n GLU 43 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 2pgh n GLU 43 Cb 0.00 0.00 0.58 0.00 0.27 0.00 0.00 31.44 32.29 2pgh n GLU 43 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2pgh h SER 44 N 0.00 0.24 0.00 4.31 0.02 -1.89 -3.06 113.55 113.17 2pgh h SER 44 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2pgh h SER 44 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2pgh h SER 44 CO 0.00 0.12 0.00 0.49 -1.14 0.00 0.00 176.83 176.30 2pgh n PHE 45 N -4.43 0.00 -2.04 3.45 3.01 -1.26 -4.89 117.46 111.30 2pgh n PHE 45 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2pgh n PHE 45 Cb 0.59 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 2pgh n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pgh n GLY 46 N 0.55 -2.27 3.47 1.37 0.00 -1.16 -4.84 105.19 102.32 2pgh n GLY 46 Ca 0.00 -1.60 -0.46 0.00 0.00 0.00 0.00 46.02 43.96 2pgh n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pgh n ASP 47 N 0.24 1.88 -3.92 1.61 -0.08 -1.26 -4.90 116.55 110.12 2pgh n ASP 47 Ca 0.00 0.19 -0.30 0.00 -1.51 0.00 0.00 54.79 53.17 2pgh n ASP 47 Cb 0.00 -1.28 -0.16 0.00 2.34 0.00 0.00 41.12 42.03 2pgh n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2pgh s LEU 48 N 8.59 2.30 -0.01 -2.67 1.43 -1.26 -4.47 118.68 122.58 2pgh s LEU 48 Ca 1.11 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2pgh s LEU 48 Cb -0.78 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2pgh s LEU 48 CO 0.44 -0.23 0.45 -1.54 0.23 0.00 0.00 176.35 175.70 2pgh n SER 49 N 4.73 -0.41 0.00 2.29 3.41 -1.26 -5.04 113.62 117.34 2pgh n SER 49 Ca -0.12 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 2pgh n SER 49 Cb 0.45 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2pgh n SER 49 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2pgh n ASN 50 N -0.06 0.00 -0.25 4.04 0.23 -1.26 -4.97 115.26 112.98 2pgh n ASN 50 Ca -0.11 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.00 2pgh n ASN 50 Cb 0.45 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.33 2pgh n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pgh h ALA 51 N 0.00 0.89 -0.69 -2.53 0.00 -1.99 -2.18 119.26 112.76 2pgh h ALA 51 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pgh h ALA 51 Cb 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2pgh h ALA 51 CO 0.00 -0.39 0.33 -0.44 0.00 0.00 0.00 179.25 178.74 2pgh h ASP 52 N 0.18 0.91 0.31 0.00 3.32 -1.98 0.35 116.42 119.50 2pgh h ASP 52 Ca 0.42 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2pgh h ASP 52 Cb 0.74 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2pgh h ASP 52 CO -0.59 0.79 -0.45 0.00 -1.72 0.00 0.00 179.24 177.28 2pgh h ALA 53 N 1.15 1.11 0.18 3.45 0.00 -1.72 0.16 119.26 123.59 2pgh h ALA 53 Ca 0.24 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 2pgh h ALA 53 Cb 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2pgh h ALA 53 CO -0.03 0.60 -1.61 0.28 0.00 0.00 0.00 179.25 178.50 2pgh h VAL 54 N 0.15 1.02 0.21 0.00 2.07 -1.35 -1.75 116.25 116.58 2pgh h VAL 54 Ca 0.01 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2pgh h VAL 54 Cb 0.85 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 2pgh h VAL 54 CO 0.07 0.81 -0.10 0.24 0.02 0.00 0.00 177.57 178.61 2pgh h MET 55 N -0.01 -0.27 0.00 1.57 2.07 -0.90 -3.01 114.93 114.38 2pgh h MET 55 Ca -0.32 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 2pgh h MET 55 Cb 2.01 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.80 2pgh h MET 55 CO 0.16 -0.06 0.00 0.78 1.07 0.00 0.00 176.91 178.86 2pgh h GLY 56 N -0.44 0.00 -5.87 8.32 0.00 -0.82 -3.44 103.07 100.81 2pgh h GLY 56 Ca -0.03 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.74 2pgh h GLY 56 CO 0.05 0.00 1.29 -2.01 0.00 0.00 0.00 176.54 175.87 2pgh n ASN 57 N -2.87 3.79 0.06 0.19 2.85 -0.66 -4.85 115.26 113.77 2pgh n ASN 57 Ca 0.01 0.72 -0.13 0.00 -0.11 0.00 0.00 54.58 55.07 2pgh n ASN 57 Cb 0.27 -1.51 -0.06 0.00 1.24 0.00 0.00 39.78 39.72 2pgh n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2pgh h PRO 58 N 11.65 -0.51 -0.84 1.20 0.13 -1.89 -2.30 132.00 139.43 2pgh h PRO 58 Ca -0.47 0.03 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2pgh h PRO 58 Cb 1.25 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 2pgh h PRO 58 CO 0.95 -0.34 0.55 0.87 -0.23 0.00 0.00 178.00 179.80 2pgh h LYS 59 N -0.53 0.53 -0.67 0.86 1.57 -1.89 0.21 116.57 116.65 2pgh h LYS 59 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2pgh h LYS 59 Cb 0.61 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2pgh h LYS 59 CO -0.30 0.35 0.40 0.28 -0.57 0.00 0.00 179.45 179.62 2pgh h VAL 60 N 0.55 1.19 -0.21 0.50 2.07 -1.72 -0.85 116.25 117.78 2pgh h VAL 60 Ca 0.42 -0.42 -0.18 0.00 0.82 0.00 0.00 66.70 67.35 2pgh h VAL 60 Cb 0.83 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2pgh h VAL 60 CO -0.17 0.20 -0.60 0.11 0.02 0.00 0.00 177.57 177.13 2pgh h LYS 61 N 0.92 0.68 0.53 1.57 1.57 -0.52 -0.93 116.57 120.39 2pgh h LYS 61 Ca 0.24 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2pgh h LYS 61 Cb -0.04 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2pgh h LYS 61 CO -0.05 1.08 -0.25 0.00 -0.57 0.00 0.00 179.45 179.66 2pgh h ALA 62 N 0.82 -0.71 -0.68 3.86 0.00 -0.93 -2.73 119.26 118.88 2pgh h ALA 62 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2pgh h ALA 62 Cb 1.18 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 2pgh h ALA 62 CO 0.12 -0.73 0.28 1.25 0.00 0.00 0.00 179.25 180.17 2pgh h HIS 63 N -1.06 0.48 -0.63 0.00 -0.00 -1.26 0.23 115.15 112.91 2pgh h HIS 63 Ca -0.07 0.03 0.18 0.00 -0.00 0.00 0.00 60.37 60.51 2pgh h HIS 63 Cb 0.62 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 2pgh h HIS 63 CO 0.01 0.11 0.52 0.78 -0.00 0.00 0.00 177.93 179.35 2pgh h GLY 64 N 0.46 0.00 1.19 5.26 0.00 -1.09 0.43 103.07 109.31 2pgh h GLY 64 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.40 2pgh h GLY 64 CO -0.33 0.00 -1.57 0.07 0.00 0.00 0.00 176.54 174.71 2pgh h LYS 65 N 0.00 0.02 -0.01 4.80 2.10 -0.23 -2.82 116.57 120.43 2pgh h LYS 65 Ca 0.30 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2pgh h LYS 65 Cb 1.33 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2pgh h LYS 65 CO -0.00 0.64 0.00 0.87 -2.00 0.00 0.00 179.45 178.96 2pgh h LYS 66 N 0.00 0.01 -0.55 0.07 1.57 -0.53 0.51 116.57 117.65 2pgh h LYS 66 Ca -0.23 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2pgh h LYS 66 Cb 1.97 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 34.16 2pgh h LYS 66 CO 0.09 0.11 -0.28 0.28 -0.57 0.00 0.00 179.45 179.08 2pgh h VAL 67 N -0.09 0.24 -0.53 0.50 2.07 -1.39 0.14 116.25 117.20 2pgh h VAL 67 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2pgh h VAL 67 Cb 0.11 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2pgh h VAL 67 CO -0.00 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.55 2pgh h LEU 68 N -0.15 0.88 -1.90 2.57 -0.00 -1.20 -1.54 115.31 113.97 2pgh h LEU 68 Ca 0.24 -0.29 0.12 0.00 -0.00 0.00 0.00 57.88 57.94 2pgh h LEU 68 Cb 0.53 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2pgh h LEU 68 CO -0.63 0.95 0.33 -0.61 -0.00 0.00 0.00 178.44 178.48 2pgh h GLN 69 N 0.78 0.10 0.12 1.13 5.75 0.25 0.83 115.11 124.08 2pgh h GLN 69 Ca 0.15 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2pgh h GLN 69 Cb 0.48 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2pgh h GLN 69 CO 0.02 0.07 -0.06 1.03 -2.65 0.00 0.00 178.83 177.24 2pgh h SER 70 N 0.11 -0.14 -0.52 -0.69 0.87 -0.56 -0.66 113.55 111.97 2pgh h SER 70 Ca 0.22 -0.41 0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2pgh h SER 70 Cb 0.73 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2pgh h SER 70 CO -0.02 0.41 0.40 0.15 -0.53 0.00 0.00 176.83 177.23 2pgh h PHE 71 N -0.76 0.00 0.46 2.24 3.04 0.20 0.23 116.94 122.36 2pgh h PHE 71 Ca -0.02 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 2pgh h PHE 71 Cb 0.54 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 2pgh h PHE 71 CO 0.09 0.00 -0.22 1.03 -2.02 0.00 0.00 178.31 177.19 2pgh h SER 72 N 0.00 -0.53 -0.73 0.41 0.87 0.85 -1.89 113.55 112.53 2pgh h SER 72 Ca 0.25 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.95 2pgh h SER 72 Cb 1.04 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 2pgh h SER 72 CO -0.00 -0.15 0.30 0.44 -0.53 0.00 0.00 176.83 176.89 2pgh h ASP 73 N -1.08 0.31 -0.44 6.23 3.32 -0.07 0.63 116.42 125.33 2pgh h ASP 73 Ca -0.06 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.16 2pgh h ASP 73 Cb 0.48 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2pgh h ASP 73 CO 0.10 0.14 0.07 1.23 -1.72 0.00 0.00 179.24 179.06 2pgh h GLY 74 N 0.47 0.50 0.76 2.75 0.00 -0.62 -0.03 103.07 106.90 2pgh h GLY 74 Ca 0.39 -0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.84 2pgh h GLY 74 CO -0.37 -0.06 0.50 1.41 0.00 0.00 0.00 176.54 178.02 2pgh h LEU 75 N 0.19 0.51 0.00 3.11 4.07 -0.03 0.22 115.31 123.39 2pgh h LEU 75 Ca 0.21 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2pgh h LEU 75 Cb 0.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2pgh h LEU 75 CO -0.30 0.28 0.00 1.17 -1.08 0.00 0.00 178.44 178.51 2pgh n LYS 76 N -4.50 0.32 -2.72 1.13 0.00 -0.03 -3.30 118.16 109.07 2pgh n LYS 76 Ca 0.14 0.08 -0.06 0.00 0.00 0.00 0.00 58.31 58.47 2pgh n LYS 76 Cb 0.43 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 34.01 2pgh n LYS 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2pgh n HIS 77 N -1.14 0.67 -0.27 5.64 8.25 0.77 -4.95 115.22 124.18 2pgh n HIS 77 Ca 0.09 -2.45 0.32 0.00 -0.26 0.00 0.00 57.72 55.41 2pgh n HIS 77 Cb 0.08 -0.04 0.72 0.00 1.12 0.00 0.00 29.99 31.87 2pgh n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pgh h LEU 78 N 2.68 0.05 -1.74 2.41 3.38 -1.54 -0.90 115.31 119.66 2pgh h LEU 78 Ca -0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2pgh h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2pgh h LEU 78 CO 0.31 0.01 0.00 0.44 0.09 0.00 0.00 178.44 179.29 2pgh h ASP 79 N 0.04 0.00 -1.38 -0.43 3.32 -1.91 0.23 116.42 116.30 2pgh h ASP 79 Ca 0.52 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 57.15 2pgh h ASP 79 Cb 1.98 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 41.21 2pgh h ASP 79 CO -0.04 0.00 -0.95 -3.20 -1.72 0.00 0.00 179.24 173.33 2pgh n ASN 80 N -2.99 -0.34 0.25 6.45 2.85 -0.34 -4.68 115.26 116.46 2pgh n ASN 80 Ca -0.00 -3.13 -0.16 0.00 -0.11 0.00 0.00 54.58 51.18 2pgh n ASN 80 Cb 0.24 0.17 -0.08 0.00 1.24 0.00 0.00 39.78 41.34 2pgh n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2pgh h LEU 81 N 3.29 -0.51 -0.79 1.20 3.38 -1.67 -2.99 115.31 117.22 2pgh h LEU 81 Ca 0.03 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2pgh h LEU 81 Cb 0.99 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 2pgh h LEU 81 CO 0.39 -0.36 -0.29 0.11 0.09 0.00 0.00 178.44 178.38 2pgh h LYS 82 N -0.59 -0.05 0.35 1.13 1.57 -1.90 0.50 116.57 117.58 2pgh h LYS 82 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2pgh h LYS 82 Cb 0.46 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2pgh h LYS 82 CO 0.10 -0.03 -0.45 0.78 -0.57 0.00 0.00 179.45 179.27 2pgh h GLY 83 N -0.05 -1.06 -0.33 3.86 0.00 -1.95 0.11 103.07 103.65 2pgh h GLY 83 Ca 0.33 0.53 0.11 0.00 0.00 0.00 0.00 47.33 48.30 2pgh h GLY 83 CO -0.83 -0.33 -0.29 -0.84 0.00 0.00 0.00 176.54 174.26 2pgh h THR 84 N -0.85 0.23 -0.00 4.70 2.02 -0.84 -1.50 112.91 116.67 2pgh h THR 84 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2pgh h THR 84 Cb 0.78 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2pgh h THR 84 CO -0.12 0.00 -0.01 0.49 0.37 0.00 0.00 175.52 176.25 2pgh n PHE 85 N -5.43 0.00 -0.08 3.16 3.72 -0.05 -4.39 117.46 114.39 2pgh n PHE 85 Ca 0.04 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.38 2pgh n PHE 85 Cb 0.35 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2pgh n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pgh h ALA 86 N 3.79 -0.51 -1.00 4.37 0.00 0.32 -1.58 119.26 124.65 2pgh h ALA 86 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2pgh h ALA 86 Cb 0.13 0.94 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2pgh h ALA 86 CO 0.00 -0.65 0.62 0.87 0.00 0.00 0.00 179.25 180.09 2pgh h LYS 87 N -0.18 0.61 0.00 0.00 1.79 -1.79 0.47 116.57 117.47 2pgh h LYS 87 Ca 0.04 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 2pgh h LYS 87 Cb 0.29 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2pgh h LYS 87 CO -0.31 0.41 -0.31 -0.07 -1.08 0.00 0.00 179.45 178.08 2pgh h LEU 88 N 0.63 0.00 0.10 2.94 4.07 -1.62 -3.31 115.31 118.12 2pgh h LEU 88 Ca 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.54 2pgh h LEU 88 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2pgh h LEU 88 CO -0.36 0.31 -0.05 -1.28 -1.08 0.00 0.00 178.44 175.98 2pgh h SER 89 N 0.00 -0.12 0.00 -0.43 0.87 0.02 -2.64 113.55 111.26 2pgh h SER 89 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2pgh h SER 89 Cb 0.86 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2pgh h SER 89 CO 0.04 0.15 0.00 -1.84 -0.53 0.00 0.00 176.83 174.65 2pgh n GLU 90 N -5.04 0.77 0.03 2.24 0.00 -1.24 -0.08 120.64 117.32 2pgh n GLU 90 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.86 2pgh n GLU 90 Cb 0.18 -1.41 -0.14 0.00 0.00 0.00 0.00 31.44 30.06 2pgh n GLU 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2pgh h LEU 91 N 0.00 0.48 0.00 -1.84 5.85 -1.57 -2.78 115.31 115.45 2pgh h LEU 91 Ca 0.00 -0.93 -0.21 0.00 0.84 0.00 0.00 57.88 57.57 2pgh h LEU 91 Cb 0.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2pgh h LEU 91 CO 0.00 1.82 -1.38 0.45 -0.34 0.00 0.00 178.44 178.99 2pgh h HIS 92 N 0.08 0.00 0.07 1.25 3.86 -1.11 -0.54 115.15 118.76 2pgh h HIS 92 Ca -0.39 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2pgh h HIS 92 Cb 2.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.53 2pgh h HIS 92 CO 0.09 0.78 -0.03 0.00 0.86 0.00 0.00 177.93 179.62 2pgh n ASP 94 N -2.85 0.00 -0.03 0.00 8.00 -1.05 -2.81 116.55 117.81 2pgh n ASP 94 Ca -0.01 0.62 -0.11 0.00 0.71 0.00 0.00 54.79 56.00 2pgh n ASP 94 Cb 0.04 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 2pgh n ASP 94 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2pgh h GLN 95 N 0.00 -0.39 0.20 -1.24 4.15 -1.53 -3.32 115.11 112.98 2pgh h GLN 95 Ca 0.00 0.03 -0.31 0.00 0.77 0.00 0.00 58.65 59.13 2pgh h GLN 95 Cb 0.00 0.09 0.03 0.00 0.21 0.00 0.00 27.48 27.81 2pgh h GLN 95 CO 0.00 -0.26 -1.38 -0.07 -1.93 0.00 0.00 178.83 175.19 2pgh h LEU 96 N -0.41 0.75 -1.83 -2.39 3.38 -1.10 -3.49 115.31 110.22 2pgh h LEU 96 Ca 0.03 -0.78 -0.30 0.00 0.09 0.00 0.00 57.88 56.92 2pgh h LEU 96 Cb 0.49 -0.24 0.17 0.00 0.09 0.00 0.00 40.66 41.17 2pgh h LEU 96 CO -0.35 1.60 -0.76 1.41 0.09 0.00 0.00 178.44 180.43 2pgh n HIS 97 N -3.68 -2.18 -3.56 1.13 8.25 0.14 -4.98 115.22 110.33 2pgh n HIS 97 Ca -0.14 0.89 -0.38 0.00 -0.26 0.00 0.00 57.72 57.84 2pgh n HIS 97 Cb 1.06 -4.80 -0.10 0.00 1.12 0.00 0.00 29.99 27.28 2pgh n HIS 97 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2pgh s VAL 98 N -3.35 5.29 0.10 1.59 -7.23 -0.98 -5.04 120.40 110.77 2pgh s VAL 98 Ca 0.09 0.30 -0.32 0.00 -1.81 0.00 0.00 61.98 60.24 2pgh s VAL 98 Cb -0.01 -3.57 -0.11 0.00 0.56 0.00 0.00 36.38 33.24 2pgh s VAL 98 CO 0.71 0.27 1.79 -0.67 -0.31 0.00 0.00 175.10 176.89 2pgh n ASP 99 N 4.79 3.78 0.26 4.85 -0.08 -1.26 -4.79 116.55 124.10 2pgh n ASP 99 Ca -0.13 1.00 0.06 0.00 -1.51 0.00 0.00 54.79 54.22 2pgh n ASP 99 Cb 0.52 -1.50 0.34 0.00 2.34 0.00 0.00 41.12 42.82 2pgh n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2pgh h PRO 100 N 8.11 0.00 -0.69 -0.67 0.11 -1.97 0.16 132.00 137.05 2pgh h PRO 100 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2pgh h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2pgh h PRO 100 CO 0.94 0.00 0.21 1.49 -0.21 0.00 0.00 178.00 180.43 2pgh h GLU 101 N 0.00 1.07 0.00 1.05 4.57 -1.98 -2.70 114.58 116.59 2pgh h GLU 101 Ca 0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2pgh h GLU 101 Cb 1.14 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2pgh h GLU 101 CO 0.00 0.92 -0.00 -0.91 -1.18 0.00 0.00 179.01 177.84 2pgh h ASN 102 N 1.03 0.00 -0.15 1.04 2.35 -1.02 -1.56 115.58 117.27 2pgh h ASN 102 Ca 0.22 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 2pgh h ASN 102 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2pgh h ASN 102 CO -0.01 0.00 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.51 2pgh h PHE 103 N 0.00 0.41 0.15 1.19 0.04 -1.64 -1.19 116.94 115.90 2pgh h PHE 103 Ca -0.00 -0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.44 2pgh h PHE 103 Cb 0.01 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.04 2pgh h PHE 103 CO 0.00 0.42 -1.38 0.07 -0.60 0.00 0.00 178.31 176.82 2pgh h ARG 104 N 0.39 0.33 0.28 1.51 0.11 -1.40 -2.81 114.38 112.78 2pgh h ARG 104 Ca 0.09 -0.56 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 2pgh h ARG 104 Cb 0.27 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2pgh h ARG 104 CO 0.01 1.24 -0.22 -0.07 0.10 0.00 0.00 179.97 181.03 2pgh h LEU 105 N 0.09 -0.58 -0.72 0.08 3.38 -1.21 0.43 115.31 116.77 2pgh h LEU 105 Ca -0.19 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2pgh h LEU 105 Cb 2.03 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.89 2pgh h LEU 105 CO 0.21 -0.34 0.32 0.25 0.09 0.00 0.00 178.44 178.97 2pgh h LEU 106 N -0.51 0.36 -0.74 1.67 5.85 -1.36 0.24 115.31 120.81 2pgh h LEU 106 Ca -0.02 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2pgh h LEU 106 Cb 0.45 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2pgh h LEU 106 CO -0.01 0.18 0.48 1.23 -0.34 0.00 0.00 178.44 179.97 2pgh h GLY 107 N 0.51 1.06 1.95 3.75 0.00 -1.05 -0.77 103.07 108.53 2pgh h GLY 107 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pgh h GLY 107 CO -0.34 0.34 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2pgh n ASN 108 N -4.60 0.00 -0.03 0.19 4.13 0.14 -2.10 115.26 112.99 2pgh n ASN 108 Ca 0.08 0.44 -0.08 0.00 1.68 0.00 0.00 54.58 56.70 2pgh n ASN 108 Cb 0.05 -0.48 -0.14 0.00 -1.54 0.00 0.00 39.78 37.68 2pgh n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2pgh n VAL 109 N -1.48 1.49 -0.04 2.41 0.31 0.55 -3.35 118.33 118.22 2pgh n VAL 109 Ca 0.06 -0.79 -0.06 0.00 -0.01 0.00 0.00 64.34 63.54 2pgh n VAL 109 Cb 0.27 -0.86 0.14 0.00 -0.91 0.00 0.00 33.84 32.48 2pgh n VAL 109 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2pgh h ILE 110 N 0.00 1.27 -0.52 2.52 2.04 -0.63 -1.94 117.51 120.25 2pgh h ILE 110 Ca -0.32 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 2pgh h ILE 110 Cb 2.00 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 2pgh h ILE 110 CO 0.06 0.42 0.09 0.58 0.00 0.00 0.00 178.15 179.30 2pgh h VAL 111 N 0.56 1.25 0.00 1.67 2.07 -1.56 0.57 116.25 120.81 2pgh h VAL 111 Ca 0.08 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2pgh h VAL 111 Cb 0.69 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2pgh h VAL 111 CO 0.05 0.34 -0.01 0.58 0.02 0.00 0.00 177.57 178.55 2pgh h VAL 112 N 0.75 0.07 0.12 2.57 2.07 -1.48 -1.84 116.25 118.50 2pgh h VAL 112 Ca 0.16 -0.29 -0.34 0.00 0.82 0.00 0.00 66.70 67.05 2pgh h VAL 112 Cb 0.40 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2pgh h VAL 112 CO 0.01 0.01 -1.79 0.58 0.02 0.00 0.00 177.57 176.40 2pgh h VAL 113 N 0.00 0.85 -0.46 2.57 2.07 -0.57 -2.42 116.25 118.28 2pgh h VAL 113 Ca -0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2pgh h VAL 113 Cb 0.26 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2pgh h VAL 113 CO 0.00 0.81 0.23 -0.07 0.02 0.00 0.00 177.57 178.57 2pgh h LEU 114 N 0.07 0.57 -0.03 2.57 3.38 -0.35 -2.15 115.31 119.37 2pgh h LEU 114 Ca -0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2pgh h LEU 114 Cb 2.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2pgh h LEU 114 CO 0.13 0.47 -0.06 0.00 0.09 0.00 0.00 178.44 179.07 2pgh h ALA 115 N 1.62 0.04 -0.48 1.53 0.00 -1.41 0.20 119.26 120.76 2pgh h ALA 115 Ca 0.16 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2pgh h ALA 115 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pgh h ALA 115 CO -0.02 -0.12 0.34 -0.09 0.00 0.00 0.00 179.25 179.35 2pgh h ARG 116 N -0.46 0.04 0.00 0.00 1.12 -1.10 -0.58 114.38 113.41 2pgh h ARG 116 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2pgh h ARG 116 Cb 0.64 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 2pgh h ARG 116 CO 0.01 0.03 -1.57 2.89 -3.11 0.00 0.00 179.97 178.22 2pgh n ARG 117 N -4.41 0.72 0.00 0.20 1.85 -0.84 -4.55 116.66 109.63 2pgh n ARG 117 Ca 0.08 -0.12 0.08 0.00 -1.00 0.00 0.00 57.85 56.89 2pgh n ARG 117 Cb 0.53 -1.36 -0.02 0.00 -1.05 0.00 0.00 32.46 30.55 2pgh n ARG 117 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2pgh n LEU 118 N -1.94 1.39 0.00 2.89 4.77 0.69 -5.05 117.00 119.75 2pgh n LEU 118 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2pgh n LEU 118 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2pgh n LEU 118 CO 0.34 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2pgh n GLY 119 N 1.21 1.86 0.59 -0.72 0.00 -0.25 -0.42 105.19 107.46 2pgh n GLY 119 Ca 0.06 -0.07 0.42 0.00 0.00 0.00 0.00 46.02 46.42 2pgh n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pgh h HIS 120 N 0.00 0.11 0.00 1.61 -0.00 -1.97 0.18 115.15 115.08 2pgh h HIS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2pgh h HIS 120 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 2pgh h HIS 120 CO 0.00 -0.03 0.00 -0.25 -0.00 0.00 0.00 177.93 177.65 2pgh n ASP 121 N -4.17 0.00 -2.83 3.26 8.00 0.44 -2.88 116.55 118.37 2pgh n ASP 121 Ca 0.35 -0.66 -0.26 0.00 0.71 0.00 0.00 54.79 54.94 2pgh n ASP 121 Cb 1.57 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.64 2pgh n ASP 121 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2pgh n PHE 122 N -0.74 3.51 -1.05 1.24 7.35 0.62 -5.00 117.46 123.38 2pgh n PHE 122 Ca 0.05 -3.71 -0.33 0.00 -0.76 0.00 0.00 57.45 52.70 2pgh n PHE 122 Cb 0.02 -0.37 0.13 0.00 0.35 0.00 0.00 39.48 39.61 2pgh n PHE 122 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2pgh s ASN 123 N -3.41 3.55 0.35 -2.13 2.20 -1.14 -4.69 114.94 109.68 2pgh s ASN 123 Ca 0.47 2.27 0.17 0.00 -0.94 0.00 0.00 52.86 54.84 2pgh s ASN 123 Cb 0.32 -2.58 1.20 0.00 -2.00 0.00 0.00 41.25 38.19 2pgh s ASN 123 CO -0.14 -2.69 1.62 -0.65 -2.94 0.00 0.00 177.10 172.30 2pgh h PRO 124 N -1.11 0.17 0.41 3.55 0.11 -1.98 -1.72 132.00 131.43 2pgh h PRO 124 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2pgh h PRO 124 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2pgh h PRO 124 CO 0.46 0.11 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.72 2pgh h ASP 125 N 0.18 -0.47 -0.94 -2.05 5.19 -2.00 -2.61 116.42 113.72 2pgh h ASP 125 Ca 0.78 -0.10 0.12 0.00 -0.62 0.00 0.00 57.03 57.22 2pgh h ASP 125 Cb 1.92 0.12 -0.09 0.00 0.18 0.00 0.00 39.33 41.46 2pgh h ASP 125 CO -0.68 -0.15 0.56 0.58 -3.12 0.00 0.00 179.24 176.43 2pgh h VAL 126 N -0.81 0.87 -0.89 -1.35 2.07 -1.67 0.22 116.25 114.68 2pgh h VAL 126 Ca -0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2pgh h VAL 126 Cb 0.54 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2pgh h VAL 126 CO 0.09 0.16 0.52 -0.61 0.02 0.00 0.00 177.57 177.75 2pgh h GLN 127 N 0.87 1.21 -0.03 1.57 4.15 -1.45 -1.40 115.11 120.04 2pgh h GLN 127 Ca 0.48 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 2pgh h GLN 127 Cb 0.52 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 2pgh h GLN 127 CO -0.29 0.86 0.02 0.00 -1.93 0.00 0.00 178.83 177.49 2pgh h ALA 128 N 1.28 0.04 -0.72 3.38 0.00 -0.58 0.45 119.26 123.11 2pgh h ALA 128 Ca 0.32 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2pgh h ALA 128 Cb -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2pgh h ALA 128 CO -0.06 -0.45 0.41 0.00 0.00 0.00 0.00 179.25 179.15 2pgh h ALA 129 N 0.97 0.98 -0.14 0.00 0.00 -1.13 -1.66 119.26 118.27 2pgh h ALA 129 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2pgh h ALA 129 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pgh h ALA 129 CO -0.00 0.08 -0.41 0.35 0.00 0.00 0.00 179.25 179.27 2pgh h PHE 130 N 0.74 0.39 -0.34 0.00 3.04 -0.72 -2.72 116.94 117.33 2pgh h PHE 130 Ca 0.33 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 2pgh h PHE 130 Cb 0.22 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 2pgh h PHE 130 CO -0.07 0.69 0.13 1.96 -2.02 0.00 0.00 178.31 179.01 2pgh h GLN 131 N 0.27 0.48 0.20 1.11 1.08 0.85 -1.81 115.11 117.29 2pgh h GLN 131 Ca 0.02 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2pgh h GLN 131 Cb 0.85 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2pgh h GLN 131 CO 0.07 0.40 -0.12 0.87 -0.95 0.00 0.00 178.83 179.10 2pgh h LYS 132 N 0.48 -0.28 -0.99 1.46 1.79 -1.23 -2.44 116.57 115.36 2pgh h LYS 132 Ca 0.12 0.02 0.28 0.00 -2.18 0.00 0.00 60.65 58.89 2pgh h LYS 132 Cb 0.10 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 30.63 2pgh h LYS 132 CO -0.01 -0.19 0.04 0.28 -1.08 0.00 0.00 179.45 178.49 2pgh n VAL 133 N -2.94 -0.42 -0.19 0.50 0.31 -1.10 0.12 118.33 114.60 2pgh n VAL 133 Ca -0.04 2.18 -0.03 0.00 -0.01 0.00 0.00 64.34 66.44 2pgh n VAL 133 Cb 0.12 -3.20 0.07 0.00 -0.91 0.00 0.00 33.84 29.93 2pgh n VAL 133 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2pgh h VAL 134 N 0.00 0.94 -0.10 2.52 2.07 -1.09 0.11 116.25 120.70 2pgh h VAL 134 Ca 0.61 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.94 2pgh h VAL 134 Cb 1.29 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2pgh h VAL 134 CO -0.93 0.10 0.06 0.00 0.02 0.00 0.00 177.57 176.82 2pgh h ALA 135 N 1.32 0.13 -0.89 1.67 0.00 0.13 -0.68 119.26 120.94 2pgh h ALA 135 Ca 0.26 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.34 2pgh h ALA 135 Cb 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 2pgh h ALA 135 CO -0.18 -0.39 0.45 0.78 0.00 0.00 0.00 179.25 179.91 2pgh h GLY 136 N 0.12 1.49 1.37 0.00 0.00 0.09 0.25 103.07 106.40 2pgh h GLY 136 Ca 0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 2pgh h GLY 136 CO -0.02 -0.11 -0.64 -2.08 0.00 0.00 0.00 176.54 173.69 2pgh h VAL 137 N 0.58 1.31 0.08 4.60 2.07 -0.32 -0.34 116.25 124.23 2pgh h VAL 137 Ca 0.51 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2pgh h VAL 137 Cb 0.81 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2pgh h VAL 137 CO -0.41 0.59 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 2pgh h ALA 138 N 0.82 -0.11 -0.24 1.67 0.00 0.57 -0.02 119.26 121.94 2pgh h ALA 138 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2pgh h ALA 138 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2pgh h ALA 138 CO 0.12 -0.42 -0.12 -0.97 0.00 0.00 0.00 179.25 177.87 2pgh h ASN 139 N -0.39 0.38 0.26 0.00 -0.00 -0.66 -0.94 115.58 114.23 2pgh h ASN 139 Ca -0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 56.30 56.19 2pgh h ASN 139 Cb 0.34 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 2pgh h ASN 139 CO 0.02 0.54 -0.12 0.00 -0.00 0.00 0.00 177.43 177.86 2pgh h ALA 140 N 1.51 -0.35 0.00 1.57 0.00 -0.75 -2.84 119.26 118.40 2pgh h ALA 140 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2pgh h ALA 140 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pgh h ALA 140 CO 0.02 -0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 178.35 2pgh h LEU 141 N -0.44 0.00 -3.71 0.00 3.38 -0.91 -2.82 115.31 110.82 2pgh h LEU 141 Ca -0.04 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 2pgh h LEU 141 Cb 0.33 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.91 2pgh h LEU 141 CO 0.06 0.20 0.49 0.00 0.09 0.00 0.00 178.44 179.28 2pgh n ALA 142 N -2.27 5.49 -1.06 1.53 0.00 -0.37 -4.49 120.51 119.34 2pgh n ALA 142 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.29 2pgh n ALA 142 Cb 0.34 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2pgh n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2pgh n HIS 143 N 0.21 0.00 -0.62 0.00 -0.00 -1.07 -4.70 115.22 109.05 2pgh n HIS 143 Ca 0.38 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.77 2pgh n HIS 143 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.51 2pgh n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2pgh n LYS 144 N -1.32 0.68 -4.02 1.57 4.76 -1.26 -4.86 118.16 113.71 2pgh n LYS 144 Ca 0.00 -1.20 -0.31 0.00 -2.87 0.00 0.00 58.31 53.93 2pgh n LYS 144 Cb 0.00 -2.52 -0.06 0.00 -1.84 0.00 0.00 35.03 30.61 2pgh n LYS 144 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2pgh s TYR 145 N 5.62 3.31 0.00 2.13 5.04 -1.26 -4.04 117.35 128.14 2pgh s TYR 145 Ca 0.49 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2pgh s TYR 145 Cb 0.11 -1.69 0.00 0.00 0.35 0.00 0.00 41.96 40.73 2pgh s TYR 145 CO 0.17 0.55 0.00 1.58 -1.34 0.00 0.00 175.55 176.51