#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apy h PRO 3 N 0.00 0.00 -6.79 -1.46 0.11 -2.11 -3.45 132.00 118.31 1apy h PRO 3 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.63 1apy h PRO 3 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1apy h PRO 3 CO 0.00 0.00 0.17 -0.51 -0.21 0.00 0.00 178.00 177.45 1apy s LEU 4 N -5.59 4.10 0.82 2.35 1.43 -1.26 -4.41 118.68 116.13 1apy s LEU 4 Ca 0.07 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1apy s LEU 4 Cb 0.08 -4.10 0.09 0.00 0.03 0.00 0.00 46.19 42.29 1apy s LEU 4 CO 0.60 -0.19 1.09 -2.84 0.23 0.00 0.00 176.35 175.24 1apy s PRO 5 N -2.80 1.84 -0.01 1.29 0.02 -1.26 -5.20 135.00 128.89 1apy s PRO 5 Ca 0.54 1.01 0.01 0.00 0.02 0.00 0.00 61.00 62.58 1apy s PRO 5 Cb -0.12 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1apy s PRO 5 CO 0.17 -1.88 -0.03 -1.17 -0.33 0.00 0.00 177.00 173.76 1apy s LEU 6 N -6.04 1.84 -0.08 -5.54 2.96 -1.26 -5.14 118.68 105.42 1apy s LEU 6 Ca 0.62 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 1apy s LEU 6 Cb -0.17 -0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.32 1apy s LEU 6 CO 0.56 0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.87 1apy s VAL 7 N 0.13 0.77 -0.04 1.68 1.01 -1.26 -5.12 120.40 117.57 1apy s VAL 7 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1apy s VAL 7 Cb -0.04 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1apy s VAL 7 CO -0.00 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.67 1apy s VAL 8 N 1.47 0.51 0.03 2.92 1.01 -1.26 -5.11 120.40 119.97 1apy s VAL 8 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1apy s VAL 8 Cb -0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1apy s VAL 8 CO -0.04 0.21 -0.02 0.54 0.00 0.00 0.00 175.10 175.79 1apy s ASN 9 N 0.79 0.34 0.49 3.32 4.22 -1.26 -5.14 114.94 117.69 1apy s ASN 9 Ca -0.10 -0.71 -0.22 0.00 -2.14 0.00 0.00 52.86 49.69 1apy s ASN 9 Cb -0.13 0.16 -0.07 0.00 1.28 0.00 0.00 41.25 42.49 1apy s ASN 9 CO 0.00 -0.45 1.19 0.42 -2.04 0.00 0.00 177.10 176.23 1apy s THR 10 N -2.60 2.93 0.43 0.54 -4.23 -1.26 -4.88 115.64 106.57 1apy s THR 10 Ca -0.05 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1apy s THR 10 Cb -0.02 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1apy s THR 10 CO -0.05 -0.03 0.00 0.79 -0.54 0.00 0.00 174.62 174.79 1apy n TRP 11 N -0.73 -2.88 -0.37 3.99 7.02 -1.26 -4.36 117.44 118.85 1apy n TRP 11 Ca 0.09 1.57 -0.00 0.00 -1.02 0.00 0.00 57.50 58.13 1apy n TRP 11 Cb 0.48 -2.62 -0.01 0.00 -2.42 0.00 0.00 31.31 26.74 1apy n TRP 11 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1apy n PRO 12 N -3.80 0.73 -2.72 -0.99 -0.02 -1.26 -4.75 135.00 122.19 1apy n PRO 12 Ca -0.06 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 1apy n PRO 12 Cb 0.51 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1apy n PRO 12 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1apy n PHE 13 N 1.71 4.78 0.01 6.00 3.72 -1.26 -4.82 117.46 127.60 1apy n PHE 13 Ca 0.02 -3.05 -0.04 0.00 -0.05 0.00 0.00 57.45 54.33 1apy n PHE 13 Cb 0.36 -2.46 0.19 0.00 -0.94 0.00 0.00 39.48 36.64 1apy n PHE 13 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1apy h LYS 14 N 7.37 0.49 0.00 -1.08 2.10 -1.96 -2.99 116.57 120.50 1apy h LYS 14 Ca 0.40 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 1apy h LYS 14 Cb 0.87 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1apy h LYS 14 CO 1.38 0.72 -0.18 -0.91 -2.00 0.00 0.00 179.45 178.46 1apy h ASN 15 N 0.43 0.00 0.17 7.07 2.35 -1.99 -0.73 115.58 122.88 1apy h ASN 15 Ca 0.06 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.58 1apy h ASN 15 Cb 0.70 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1apy h ASN 15 CO 0.05 0.18 -0.91 0.00 -1.65 0.00 0.00 177.43 175.10 1apy h ALA 16 N 1.82 0.33 -0.51 -0.83 0.00 -1.79 -1.83 119.26 116.45 1apy h ALA 16 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1apy h ALA 16 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1apy h ALA 16 CO 0.02 0.76 -0.08 1.15 0.00 0.00 0.00 179.25 181.10 1apy h THR 17 N 0.33 1.26 -0.32 0.00 2.02 -1.31 -2.23 112.91 112.65 1apy h THR 17 Ca -0.08 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1apy h THR 17 Cb 1.54 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1apy h THR 17 CO 0.17 0.42 0.04 -0.08 0.37 0.00 0.00 175.52 176.43 1apy h GLU 18 N 0.83 0.54 -0.19 6.66 4.81 -1.09 -1.57 114.58 124.56 1apy h GLU 18 Ca 0.14 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1apy h GLU 18 Cb 0.60 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1apy h GLU 18 CO 0.04 0.64 -0.19 0.00 -0.73 0.00 0.00 179.01 178.77 1apy h ALA 19 N 0.88 1.32 -0.21 2.92 0.00 -1.20 -0.64 119.26 122.33 1apy h ALA 19 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1apy h ALA 19 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1apy h ALA 19 CO 0.01 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 1apy h ALA 20 N 1.50 0.30 -0.19 0.00 0.00 -1.22 -2.12 119.26 117.52 1apy h ALA 20 Ca 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1apy h ALA 20 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1apy h ALA 20 CO 0.03 0.24 0.09 2.35 0.00 0.00 0.00 179.25 181.96 1apy h TRP 21 N 0.18 0.29 -0.99 0.00 2.91 -1.10 -2.45 115.95 114.78 1apy h TRP 21 Ca 0.03 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.16 1apy h TRP 21 Cb 0.75 -0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 29.22 1apy h TRP 21 CO 0.08 0.31 0.63 0.00 -1.03 0.00 0.00 178.44 178.43 1apy h ARG 22 N 0.17 0.92 -0.72 2.65 3.08 -1.10 0.11 114.38 119.50 1apy h ARG 22 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1apy h ARG 22 Cb 0.14 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1apy h ARG 22 CO -0.01 0.61 0.31 0.00 -1.07 0.00 0.00 179.97 179.82 1apy h ALA 23 N 1.55 1.20 -0.12 0.04 0.00 -0.98 -2.10 119.26 118.85 1apy h ALA 23 Ca 0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1apy h ALA 23 Cb 0.54 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1apy h ALA 23 CO -0.27 0.59 -0.15 -0.07 0.00 0.00 0.00 179.25 179.36 1apy h LEU 24 N 1.03 0.34 -1.29 0.00 3.38 -0.47 0.11 115.31 118.41 1apy h LEU 24 Ca 0.24 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.84 1apy h LEU 24 Cb 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1apy h LEU 24 CO -0.03 0.78 0.57 0.00 0.09 0.00 0.00 178.44 179.85 1apy h ALA 25 N 0.57 1.81 0.00 1.53 0.00 -0.67 0.23 119.26 122.74 1apy h ALA 25 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1apy h ALA 25 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1apy h ALA 25 CO 0.04 -0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1apy n SER 26 N -4.55 0.80 -0.16 0.00 7.64 -0.81 -4.79 113.62 111.75 1apy n SER 26 Ca 0.17 -1.95 -0.02 0.00 1.01 0.00 0.00 58.87 58.08 1apy n SER 26 Cb 0.44 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 1apy n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1apy n GLY 27 N 0.09 0.55 3.80 0.23 0.00 0.80 -5.02 105.19 105.65 1apy n GLY 27 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1apy n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1apy s GLY 28 N -2.45 1.78 0.83 -0.02 0.00 0.37 -5.00 107.32 102.83 1apy s GLY 28 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.81 1apy s GLY 28 CO 0.00 0.54 1.17 -1.35 0.00 0.00 0.00 173.10 173.46 1apy s SER 29 N -3.45 4.31 0.26 1.64 1.04 -1.26 -4.50 113.70 111.75 1apy s SER 29 Ca 0.60 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.80 1apy s SER 29 Cb -0.16 -1.31 0.32 0.00 0.10 0.00 0.00 66.02 64.97 1apy s SER 29 CO 0.51 -2.03 1.93 0.00 0.98 0.00 0.00 173.24 174.63 1apy h ALA 30 N -1.14 1.33 -0.69 5.32 0.00 -1.97 -1.27 119.26 120.83 1apy h ALA 30 Ca -0.47 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1apy h ALA 30 Cb 1.33 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1apy h ALA 30 CO 0.65 0.61 0.18 -0.07 0.00 0.00 0.00 179.25 180.62 1apy h LEU 31 N 1.29 1.03 -0.86 0.00 3.38 -1.94 -1.57 115.31 116.63 1apy h LEU 31 Ca 0.37 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1apy h LEU 31 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 1apy h LEU 31 CO -0.09 0.98 0.23 0.44 0.09 0.00 0.00 178.44 180.09 1apy h ASP 32 N 1.04 1.00 0.01 -0.43 3.32 -1.69 -1.65 116.42 118.01 1apy h ASP 32 Ca 0.22 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1apy h ASP 32 Cb 0.34 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1apy h ASP 32 CO -0.00 0.92 -0.00 0.00 -1.72 0.00 0.00 179.24 178.43 1apy h ALA 33 N 1.22 -0.01 -0.33 3.45 0.00 -0.81 -1.21 119.26 121.57 1apy h ALA 33 Ca 0.23 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1apy h ALA 33 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1apy h ALA 33 CO -0.01 -0.39 0.14 0.28 0.00 0.00 0.00 179.25 179.27 1apy h VAL 34 N -0.25 0.94 -0.80 0.00 2.07 -1.15 0.42 116.25 117.47 1apy h VAL 34 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1apy h VAL 34 Cb 0.25 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1apy h VAL 34 CO 0.00 0.05 0.51 -0.08 0.02 0.00 0.00 177.57 178.07 1apy h GLU 35 N 0.29 1.07 -0.63 1.57 4.81 -1.26 -1.54 114.58 118.89 1apy h GLU 35 Ca 0.15 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1apy h GLU 35 Cb 0.10 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1apy h GLU 35 CO -0.13 0.73 0.17 0.77 -0.73 0.00 0.00 179.01 179.82 1apy h SER 36 N 1.09 0.93 0.12 1.04 0.02 -0.49 -0.92 113.55 115.35 1apy h SER 36 Ca 0.29 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1apy h SER 36 Cb -0.08 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1apy h SER 36 CO -0.06 0.91 -0.06 1.23 -1.14 0.00 0.00 176.83 177.72 1apy h GLY 37 N 0.91 -0.17 1.00 -3.77 0.00 -0.60 -2.63 103.07 97.82 1apy h GLY 37 Ca 0.20 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1apy h GLY 37 CO -0.00 -0.06 0.25 0.00 0.00 0.00 0.00 176.54 176.72 1apy h ALA 39 N 1.10 1.53 -0.74 0.00 0.00 -1.22 -1.82 119.26 118.11 1apy h ALA 39 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1apy h ALA 39 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1apy h ALA 39 CO -0.02 0.37 0.49 1.98 0.00 0.00 0.00 179.25 182.07 1apy h MET 40 N 0.60 0.93 0.00 0.00 4.05 -1.10 -0.93 114.93 118.48 1apy h MET 40 Ca 0.15 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1apy h MET 40 Cb 0.09 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1apy h MET 40 CO -0.02 0.61 0.00 0.00 0.23 0.00 0.00 176.91 177.74 1apy h GLU 42 N 0.00 0.63 -0.31 0.00 5.08 -0.81 0.32 114.58 119.49 1apy h GLU 42 Ca 0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1apy h GLU 42 Cb 0.92 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1apy h GLU 42 CO 0.00 1.04 -0.02 0.00 -1.00 0.00 0.00 179.01 179.03 1apy h ARG 43 N 0.31 0.57 0.00 2.33 3.08 -1.31 -3.01 114.38 116.35 1apy h ARG 43 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1apy h ARG 43 Cb 1.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1apy h ARG 43 CO 0.10 0.73 0.00 0.39 -1.07 0.00 0.00 179.97 180.11 1apy n GLU 44 N -4.52 0.06 -3.69 0.04 1.02 -0.73 -4.94 120.64 107.88 1apy n GLU 44 Ca -0.02 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 1apy n GLU 44 Cb 0.28 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1apy n GLU 44 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1apy n GLN 45 N -1.68 -5.48 -1.61 3.49 6.02 0.11 -4.78 117.38 113.44 1apy n GLN 45 Ca 0.07 0.66 -0.60 0.00 -0.01 0.00 0.00 57.00 57.12 1apy n GLN 45 Cb 0.36 -5.38 -0.09 0.00 1.02 0.00 0.00 30.24 26.15 1apy n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1apy n ASP 47 N 5.95 -4.47 -1.08 0.00 8.00 -1.26 -0.92 116.55 122.77 1apy n ASP 47 Ca 0.35 0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.79 1apy n ASP 47 Cb 0.06 -3.01 -0.06 0.00 -0.02 0.00 0.00 41.12 38.09 1apy n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1apy n GLY 48 N 0.52 1.46 0.29 0.44 0.00 0.57 -4.83 105.19 103.63 1apy n GLY 48 Ca -0.04 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1apy n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1apy n SER 49 N -0.35 2.07 -3.79 1.61 3.41 -0.10 -3.94 113.62 112.53 1apy n SER 49 Ca -0.14 -1.69 -0.13 0.00 -0.26 0.00 0.00 58.87 56.65 1apy n SER 49 Cb 0.47 -0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1apy n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1apy s VAL 50 N -0.79 -0.02 0.00 -3.33 1.01 -1.17 -5.01 120.40 111.09 1apy s VAL 50 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1apy s VAL 50 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1apy s VAL 50 CO 0.08 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1apy n GLY 51 N 3.52 -0.80 3.52 4.51 0.00 -1.26 -3.84 105.19 110.83 1apy n GLY 51 Ca -0.18 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 1apy n GLY 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1apy s PHE 52 N -1.02 1.25 -1.68 1.61 -0.71 -1.26 -4.14 117.98 112.03 1apy s PHE 52 Ca 0.00 0.98 -0.02 0.00 -1.04 0.00 0.00 56.93 56.85 1apy s PHE 52 Cb 0.00 -3.14 0.00 0.00 -1.21 0.00 0.00 43.02 38.67 1apy s PHE 52 CO 0.00 -3.81 0.21 0.41 -1.34 0.00 0.00 175.22 170.70 1apy n GLY 53 N 0.24 -0.49 3.56 1.99 0.00 0.45 -4.90 105.19 106.05 1apy n GLY 53 Ca 0.05 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1apy n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1apy s GLY 54 N -2.30 0.59 -1.03 -0.02 0.00 -1.26 -4.40 107.32 98.90 1apy s GLY 54 Ca 0.10 -0.93 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 1apy s GLY 54 CO 0.13 -0.68 0.51 1.44 0.00 0.00 0.00 173.10 174.50 1apy n SER 55 N -0.37 -3.00 -4.77 1.64 7.64 -1.25 -4.67 113.62 108.83 1apy n SER 55 Ca -0.01 -1.08 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 1apy n SER 55 Cb 0.62 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.51 1apy n SER 55 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1apy s PRO 56 N -7.04 4.21 0.40 1.43 0.04 -1.26 -4.70 135.00 128.07 1apy s PRO 56 Ca 0.38 2.36 -0.07 0.00 0.04 0.00 0.00 61.00 63.71 1apy s PRO 56 Cb -0.21 -3.00 0.09 0.00 0.04 0.00 0.00 34.50 31.43 1apy s PRO 56 CO 0.81 -0.37 0.49 -0.40 0.04 0.00 0.00 177.00 177.57 1apy n ASP 57 N 0.59 -0.28 0.05 6.66 5.68 -0.14 -4.77 116.55 124.33 1apy n ASP 57 Ca 0.01 -1.09 0.21 0.00 -0.50 0.00 0.00 54.79 53.41 1apy n ASP 57 Cb 0.41 -0.39 0.73 0.00 -1.14 0.00 0.00 41.12 40.73 1apy n ASP 57 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1apy h GLU 58 N 0.00 0.00 -0.29 0.11 5.08 -1.94 0.79 114.58 118.33 1apy h GLU 58 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1apy h GLU 58 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1apy h GLU 58 CO 0.11 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 1apy n LEU 59 N -4.02 2.66 0.00 1.33 4.32 -1.26 -4.94 117.00 115.09 1apy n LEU 59 Ca 0.08 -1.13 0.00 0.00 -0.02 0.00 0.00 56.01 54.94 1apy n LEU 59 Cb 0.61 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1apy n LEU 59 CO 0.32 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 1apy n GLY 60 N 1.34 0.94 3.83 -0.72 0.00 0.27 -5.04 105.19 105.81 1apy n GLY 60 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1apy n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1apy s GLU 61 N -0.28 4.00 -0.24 1.61 2.12 -1.26 -4.63 118.70 120.02 1apy s GLU 61 Ca 0.00 0.51 -0.14 0.00 0.36 0.00 0.00 54.97 55.70 1apy s GLU 61 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1apy s GLU 61 CO 0.00 0.66 0.31 0.99 -0.54 0.00 0.00 175.26 176.67 1apy s THR 62 N -1.13 5.24 -0.03 -1.70 2.01 -1.26 -0.97 115.64 117.81 1apy s THR 62 Ca 0.27 0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.79 1apy s THR 62 Cb -0.17 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1apy s THR 62 CO 0.16 0.25 -0.19 0.42 -0.69 0.00 0.00 174.62 174.56 1apy s THR 63 N 1.53 1.54 0.13 -0.82 -4.23 -1.26 -4.63 115.64 107.89 1apy s THR 63 Ca 0.13 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1apy s THR 63 Cb -0.15 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 1apy s THR 63 CO 0.08 0.44 0.07 -0.76 -0.54 0.00 0.00 174.62 173.91 1apy s LEU 64 N -0.25 3.66 0.01 4.79 1.43 -0.61 -4.82 118.68 122.89 1apy s LEU 64 Ca 0.02 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1apy s LEU 64 Cb -0.09 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1apy s LEU 64 CO 0.01 0.12 -0.13 -1.81 0.23 0.00 0.00 176.35 174.77 1apy s ASP 65 N -2.71 1.56 0.13 2.29 1.01 -1.26 -0.49 116.67 117.21 1apy s ASP 65 Ca 0.29 -0.31 -0.24 0.00 0.71 0.00 0.00 52.55 53.00 1apy s ASP 65 Cb -0.11 -0.15 0.07 0.00 1.01 0.00 0.00 42.92 43.75 1apy s ASP 65 CO 0.21 0.11 0.63 0.00 0.21 0.00 0.00 175.17 176.34 1apy s ALA 66 N -0.49 -1.63 0.01 5.23 0.00 -0.14 -4.93 121.76 119.80 1apy s ALA 66 Ca 0.04 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1apy s ALA 66 Cb -0.06 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1apy s ALA 66 CO 0.00 -0.73 0.41 1.41 0.00 0.00 0.00 175.76 176.85 1apy s MET 67 N -3.49 0.84 -0.06 0.00 0.00 -1.26 -1.05 119.30 114.28 1apy s MET 67 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 55.69 55.44 1apy s MET 67 Cb -0.01 0.38 0.03 0.00 0.00 0.00 0.00 34.83 35.23 1apy s MET 67 CO -0.11 -0.27 0.15 -1.50 0.00 0.00 0.00 175.02 173.30 1apy s ILE 68 N -1.87 -0.03 -0.05 10.11 2.07 -0.21 -5.00 121.20 126.21 1apy s ILE 68 Ca -0.09 0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1apy s ILE 68 Cb -0.02 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1apy s ILE 68 CO 0.02 0.05 -0.15 -0.32 -1.91 0.00 0.00 174.94 172.63 1apy s MET 69 N 0.81 1.71 -0.42 3.50 -2.45 -1.26 -1.51 119.30 119.67 1apy s MET 69 Ca -0.06 -0.52 -0.20 0.00 -1.25 0.00 0.00 55.69 53.65 1apy s MET 69 Cb -0.08 -1.45 0.02 0.00 1.25 0.00 0.00 34.83 34.57 1apy s MET 69 CO -0.04 0.16 0.63 0.34 1.05 0.00 0.00 175.02 177.15 1apy s ASP 70 N 0.26 6.33 0.45 1.11 2.15 0.04 -4.95 116.67 122.06 1apy s ASP 70 Ca -0.08 -0.28 0.19 0.00 0.43 0.00 0.00 52.55 52.82 1apy s ASP 70 Cb -0.13 -2.31 1.06 0.00 -0.30 0.00 0.00 42.92 41.24 1apy s ASP 70 CO 0.03 -0.73 1.95 1.23 -0.17 0.00 0.00 175.17 177.48 1apy h GLY 71 N 9.59 0.00 0.60 2.66 0.00 -1.95 0.62 103.07 114.59 1apy h GLY 71 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1apy h GLY 71 CO 0.87 0.00 -0.23 -0.84 0.00 0.00 0.00 176.54 176.35 1apy h THR 72 N 0.00 0.27 0.00 4.70 2.02 -1.97 -3.34 112.91 114.59 1apy h THR 72 Ca -0.00 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1apy h THR 72 Cb 0.48 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1apy h THR 72 CO 0.03 0.05 -1.20 0.35 0.37 0.00 0.00 175.52 175.12 1apy n THR 73 N -5.22 0.85 -2.29 3.16 -2.24 -1.23 -4.96 114.28 102.33 1apy n THR 73 Ca -0.10 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 1apy n THR 73 Cb 0.30 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1apy n THR 73 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1apy n MET 74 N -2.76 -1.13 -3.01 -0.78 2.81 0.22 -5.02 117.12 107.45 1apy n MET 74 Ca -0.04 0.42 -0.34 0.00 -1.81 0.00 0.00 57.70 55.92 1apy n MET 74 Cb 0.67 -4.34 -0.06 0.00 -0.71 0.00 0.00 33.22 28.78 1apy n MET 74 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1apy s ASP 75 N -2.69 6.98 -0.02 7.83 1.01 -1.18 -4.85 116.67 123.76 1apy s ASP 75 Ca 0.04 1.49 0.01 0.00 0.71 0.00 0.00 52.55 54.80 1apy s ASP 75 Cb -0.02 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1apy s ASP 75 CO 0.05 -0.14 -0.05 -0.69 0.21 0.00 0.00 175.17 174.55 1apy s VAL 76 N -1.81 0.45 -0.13 -1.27 1.01 -1.26 -0.78 120.40 116.60 1apy s VAL 76 Ca 0.51 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1apy s VAL 76 Cb -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1apy s VAL 76 CO 0.19 0.16 -0.20 -0.83 0.00 0.00 0.00 175.10 174.41 1apy s GLY 77 N 0.26 1.29 -0.03 4.51 0.00 -0.57 -4.44 107.32 108.35 1apy s GLY 77 Ca -0.03 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 1apy s GLY 77 CO -0.00 0.04 0.20 0.00 0.00 0.00 0.00 173.10 173.34 1apy s ALA 78 N 0.87 -0.49 0.01 3.20 0.00 0.05 -1.05 121.76 124.35 1apy s ALA 78 Ca -0.07 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1apy s ALA 78 Cb -0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1apy s ALA 78 CO -0.02 -0.19 -0.12 0.14 0.00 0.00 0.00 175.76 175.56 1apy s VAL 79 N -0.95 0.98 -0.00 0.00 -7.23 -0.22 -2.01 120.40 110.96 1apy s VAL 79 Ca -0.10 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 1apy s VAL 79 Cb -0.05 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1apy s VAL 79 CO 0.02 0.12 -0.05 -0.83 -0.31 0.00 0.00 175.10 174.04 1apy s GLY 80 N -0.71 0.27 -1.33 2.32 0.00 -0.96 -0.97 107.32 105.93 1apy s GLY 80 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 1apy s GLY 80 CO 0.00 -0.23 1.16 1.34 0.00 0.00 0.00 173.10 175.38 1apy n ASP 81 N 2.85 -6.24 -4.68 1.64 2.03 -0.99 -1.64 116.55 109.52 1apy n ASP 81 Ca -0.14 -0.53 -0.42 0.00 0.52 0.00 0.00 54.79 54.22 1apy n ASP 81 Cb 0.58 -4.95 -0.03 0.00 -0.72 0.00 0.00 41.12 36.00 1apy n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1apy s LEU 82 N -7.18 4.30 -0.07 -2.67 2.96 0.36 -2.35 118.68 114.04 1apy s LEU 82 Ca 0.57 2.07 0.02 0.00 -0.22 0.00 0.00 54.13 56.56 1apy s LEU 82 Cb -0.25 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1apy s LEU 82 CO 0.72 -0.73 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.79 1apy s ARG 83 N 2.62 2.75 -1.74 1.98 0.52 -1.26 -1.57 118.95 122.26 1apy s ARG 83 Ca 0.63 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1apy s ARG 83 Cb -0.30 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1apy s ARG 83 CO 0.25 0.59 0.00 0.54 0.02 0.00 0.00 175.30 176.71 1apy n ARG 84 N 2.42 -1.69 -4.08 3.54 1.74 -1.26 -4.65 116.66 112.68 1apy n ARG 84 Ca -0.18 0.98 -0.22 0.00 -0.77 0.00 0.00 57.85 57.66 1apy n ARG 84 Cb 0.53 -5.54 -0.17 0.00 -1.02 0.00 0.00 32.46 26.26 1apy n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1apy s ILE 85 N -2.84 0.62 -0.04 0.55 -1.09 -1.26 0.05 121.20 117.20 1apy s ILE 85 Ca 0.00 -0.12 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 1apy s ILE 85 Cb 0.00 -0.66 -0.24 0.00 -1.58 0.00 0.00 42.46 39.97 1apy s ILE 85 CO 0.00 0.26 1.02 0.11 -1.23 0.00 0.00 174.94 175.11 1apy h LYS 86 N 7.56 0.25 -3.75 2.79 1.57 -1.88 -3.40 116.57 119.71 1apy h LYS 86 Ca -0.32 -0.29 -0.71 0.00 -1.87 0.00 0.00 60.65 57.47 1apy h LYS 86 Cb 1.15 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1apy h LYS 86 CO 0.41 1.02 3.20 -1.71 -0.57 0.00 0.00 179.45 181.80 1apy n ASN 87 N -4.38 4.98 -0.14 0.86 4.05 -1.26 -4.74 115.26 114.64 1apy n ASN 87 Ca -0.10 -2.81 -0.03 0.00 0.45 0.00 0.00 54.58 52.08 1apy n ASN 87 Cb 0.59 -1.62 0.04 0.00 1.23 0.00 0.00 39.78 40.02 1apy n ASN 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1apy h ALA 88 N 5.76 0.37 0.00 5.20 0.00 -1.97 0.16 119.26 128.78 1apy h ALA 88 Ca 0.62 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.69 1apy h ALA 88 Cb 0.56 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1apy h ALA 88 CO 1.85 -0.42 0.00 0.97 0.00 0.00 0.00 179.25 181.65 1apy h ILE 89 N 0.05 0.00 -0.25 0.00 2.10 -1.92 -1.45 117.51 116.05 1apy h ILE 89 Ca 0.23 -0.62 -0.16 0.00 1.08 0.00 0.00 64.86 65.39 1apy h ILE 89 Cb 0.34 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 1apy h ILE 89 CO -0.43 0.00 -0.49 1.23 -1.08 0.00 0.00 178.15 177.38 1apy h GLY 90 N 2.55 0.74 1.04 8.18 0.00 -1.37 -1.49 103.07 112.73 1apy h GLY 90 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 47.33 46.34 1apy h GLY 90 CO 0.00 0.73 -0.58 -2.08 0.00 0.00 0.00 176.54 174.62 1apy h VAL 91 N 0.53 1.31 -0.92 4.60 2.07 -0.91 -2.91 116.25 120.02 1apy h VAL 91 Ca 0.03 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.76 1apy h VAL 91 Cb 1.04 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 1apy h VAL 91 CO 0.10 0.57 0.61 0.00 0.02 0.00 0.00 177.57 178.86 1apy h ALA 92 N 0.57 1.36 -0.07 1.67 0.00 -1.16 -1.13 119.26 120.51 1apy h ALA 92 Ca -0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1apy h ALA 92 Cb 1.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1apy h ALA 92 CO 0.12 0.58 -0.29 -0.09 0.00 0.00 0.00 179.25 179.58 1apy h ARG 93 N 1.22 0.13 -0.01 0.00 2.43 -1.21 -2.39 114.38 114.55 1apy h ARG 93 Ca 0.34 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1apy h ARG 93 Cb -0.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1apy h ARG 93 CO -0.08 0.41 -0.55 0.87 -1.51 0.00 0.00 179.97 179.10 1apy h LYS 94 N 0.12 0.04 -0.47 0.20 1.79 -1.04 -0.90 116.57 116.31 1apy h LYS 94 Ca 0.02 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1apy h LYS 94 Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1apy h LYS 94 CO 0.04 0.58 -0.07 0.28 -1.08 0.00 0.00 179.45 179.20 1apy h VAL 95 N 0.03 1.26 -0.04 0.50 2.07 -0.85 0.65 116.25 119.87 1apy h VAL 95 Ca -0.00 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1apy h VAL 95 Cb 0.99 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1apy h VAL 95 CO 0.07 0.39 -0.01 0.25 0.02 0.00 0.00 177.57 178.29 1apy h LEU 96 N 0.75 0.07 -0.40 2.57 6.46 -1.17 -2.84 115.31 120.75 1apy h LEU 96 Ca 0.13 -0.40 -0.14 0.00 -0.12 0.00 0.00 57.88 57.35 1apy h LEU 96 Cb 0.56 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1apy h LEU 96 CO 0.03 0.46 -0.66 -0.33 -0.62 0.00 0.00 178.44 177.33 1apy h GLU 97 N -0.31 0.00 -0.15 1.25 5.08 -1.10 -3.37 114.58 115.98 1apy h GLU 97 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1apy h GLU 97 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1apy h GLU 97 CO 0.00 0.66 0.00 0.72 -1.00 0.00 0.00 179.01 179.39 1apy n HIS 98 N -3.47 0.20 -4.02 4.33 8.25 0.21 -5.02 115.22 115.69 1apy n HIS 98 Ca 0.00 -0.38 -0.10 0.00 -0.26 0.00 0.00 57.72 56.98 1apy n HIS 98 Cb 0.72 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.73 1apy n HIS 98 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1apy s THR 99 N -0.88 0.05 -1.30 1.59 -4.23 -1.07 -5.02 115.64 104.77 1apy s THR 99 Ca 0.12 -1.54 0.18 0.00 -1.18 0.00 0.00 61.69 59.27 1apy s THR 99 Cb 0.06 -2.01 0.57 0.00 1.34 0.00 0.00 72.50 72.47 1apy s THR 99 CO 0.09 -0.23 1.48 0.35 -0.54 0.00 0.00 174.62 175.77 1apy n THR 100 N -0.23 1.35 -2.45 3.99 -2.24 -1.26 -4.68 114.28 108.76 1apy n THR 100 Ca -0.05 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.37 1apy n THR 100 Cb 0.63 0.33 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1apy n THR 100 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1apy s HIS 101 N -1.39 2.94 -0.18 4.78 3.76 -1.26 -5.06 115.29 118.88 1apy s HIS 101 Ca 0.42 0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1apy s HIS 101 Cb 0.25 -2.92 -0.10 0.00 1.11 0.00 0.00 32.58 30.92 1apy s HIS 101 CO 0.24 -1.08 -0.19 2.41 -0.85 0.00 0.00 174.74 175.27 1apy n THR 102 N -2.60 1.00 -4.37 1.30 -1.04 -1.26 -4.71 114.28 102.59 1apy n THR 102 Ca 0.07 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.55 1apy n THR 102 Cb 0.60 -1.43 -0.16 0.00 -1.82 0.00 0.00 70.33 67.52 1apy n THR 102 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1apy s LEU 103 N -6.49 1.60 -0.01 -4.42 2.96 -1.26 -0.77 118.68 110.28 1apy s LEU 103 Ca -0.24 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1apy s LEU 103 Cb 0.08 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 1apy s LEU 103 CO 0.36 0.02 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.43 1apy s LEU 104 N 0.56 2.06 0.18 -0.68 1.02 -0.85 -5.02 118.68 115.95 1apy s LEU 104 Ca -0.09 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.66 1apy s LEU 104 Cb -0.13 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.91 1apy s LEU 104 CO 0.01 0.26 0.01 0.68 0.02 0.00 0.00 176.35 177.34 1apy s VAL 105 N -0.56 0.66 0.00 -1.59 -7.23 -1.26 -2.27 120.40 108.16 1apy s VAL 105 Ca 0.09 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1apy s VAL 105 Cb -0.09 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1apy s VAL 105 CO -0.00 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1apy n GLY 106 N -0.27 0.92 0.28 2.32 0.00 -0.65 -2.06 105.19 105.73 1apy n GLY 106 Ca -0.06 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.37 1apy n GLY 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1apy h GLU 107 N 0.00 0.00 -0.72 1.61 4.11 -1.93 -0.82 114.58 116.83 1apy h GLU 107 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1apy h GLU 107 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1apy h GLU 107 CO 0.00 0.06 0.20 0.77 0.07 0.00 0.00 179.01 180.10 1apy h SER 108 N 0.00 1.07 0.43 3.06 0.02 -1.93 -1.92 113.55 114.27 1apy h SER 108 Ca -0.00 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1apy h SER 108 Cb 0.15 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1apy h SER 108 CO 0.01 1.01 -0.43 0.00 -1.14 0.00 0.00 176.83 176.27 1apy h ALA 109 N 1.13 1.28 -0.64 3.77 0.00 -0.57 -2.20 119.26 122.03 1apy h ALA 109 Ca 0.23 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1apy h ALA 109 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1apy h ALA 109 CO -0.00 0.54 0.07 1.15 0.00 0.00 0.00 179.25 181.01 1apy h THR 110 N 0.00 1.26 -0.40 0.00 2.02 -0.99 -0.44 112.91 114.36 1apy h THR 110 Ca -0.00 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1apy h THR 110 Cb 0.76 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1apy h THR 110 CO 0.06 0.40 0.14 0.74 0.37 0.00 0.00 175.52 177.22 1apy h THR 111 N 1.00 1.21 -0.49 3.16 2.02 -1.04 -1.06 112.91 117.72 1apy h THR 111 Ca 0.19 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1apy h THR 111 Cb 0.48 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1apy h THR 111 CO 0.02 0.24 0.24 0.15 0.37 0.00 0.00 175.52 176.54 1apy h PHE 112 N 0.51 0.45 -0.90 3.16 3.57 -1.08 -1.92 116.94 120.72 1apy h PHE 112 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1apy h PHE 112 Cb 0.24 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1apy h PHE 112 CO 0.01 0.22 0.59 0.00 -2.23 0.00 0.00 178.31 176.89 1apy h ALA 113 N 1.26 1.33 -0.39 2.41 0.00 -0.68 -1.89 119.26 121.30 1apy h ALA 113 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1apy h ALA 113 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1apy h ALA 113 CO -0.15 0.61 -0.09 1.96 0.00 0.00 0.00 179.25 181.58 1apy h GLN 114 N 1.23 0.67 -0.34 0.00 4.20 -0.50 -0.41 115.11 119.96 1apy h GLN 114 Ca 0.33 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1apy h GLN 114 Cb -0.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1apy h GLN 114 CO -0.07 0.75 -0.06 0.77 -0.67 0.00 0.00 178.83 179.56 1apy h SER 115 N 0.62 0.53 -0.13 1.46 0.02 -0.64 -2.01 113.55 113.40 1apy h SER 115 Ca 0.11 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1apy h SER 115 Cb 0.52 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1apy h SER 115 CO 0.03 0.64 0.00 0.23 -1.14 0.00 0.00 176.83 176.59 1apy n MET 116 N -4.23 1.31 -0.45 3.45 2.81 -0.80 -4.89 117.12 114.31 1apy n MET 116 Ca 0.01 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 1apy n MET 116 Cb 0.29 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1apy n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1apy n GLY 117 N 0.73 0.76 3.83 3.03 0.00 -0.76 -5.06 105.19 107.73 1apy n GLY 117 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1apy n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1apy s PHE 118 N -2.24 3.41 -0.05 1.61 0.40 -0.22 -4.99 117.98 115.90 1apy s PHE 118 Ca 0.00 1.47 -0.23 0.00 -0.60 0.00 0.00 56.93 57.57 1apy s PHE 118 Cb 0.00 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 1apy s PHE 118 CO 0.00 0.04 0.68 0.42 0.70 0.00 0.00 175.22 177.06 1apy s ILE 119 N -1.99 4.99 -0.11 0.64 -1.09 -1.26 -4.22 121.20 118.16 1apy s ILE 119 Ca 0.56 1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 60.13 1apy s ILE 119 Cb -0.11 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 1apy s ILE 119 CO 0.16 0.29 0.88 0.21 -1.23 0.00 0.00 174.94 175.25 1apy s ASN 120 N 0.54 7.10 0.03 3.58 3.84 -1.26 -4.50 114.94 124.27 1apy s ASN 120 Ca 0.36 1.34 -0.27 0.00 0.21 0.00 0.00 52.86 54.51 1apy s ASN 120 Cb -0.18 -2.49 0.07 0.00 -0.55 0.00 0.00 41.25 38.10 1apy s ASN 120 CO 0.18 -0.35 0.62 -1.83 -2.79 0.00 0.00 177.10 172.94 1apy s GLU 121 N 1.73 1.11 0.24 0.43 -1.05 0.11 -5.02 118.70 116.25 1apy s GLU 121 Ca 0.43 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 1apy s GLU 121 Cb -0.18 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 1apy s GLU 121 CO 0.17 -0.40 1.49 0.34 0.95 0.00 0.00 175.26 177.81 1apy s ASP 122 N -1.81 6.59 0.00 0.83 -1.08 -1.26 -4.10 116.67 115.84 1apy s ASP 122 Ca -0.06 2.71 0.23 0.00 -0.52 0.00 0.00 52.55 54.90 1apy s ASP 122 Cb -0.01 -2.62 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 1apy s ASP 122 CO 0.01 -0.76 1.43 0.18 0.52 0.00 0.00 175.17 176.55 1apy n LEU 123 N 2.63 2.78 -4.89 -1.34 4.77 -1.26 -4.96 117.00 114.73 1apy n LEU 123 Ca 0.08 -1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 54.66 1apy n LEU 123 Cb 0.39 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1apy n LEU 123 CO 0.61 0.56 0.57 -0.44 -1.33 0.00 0.00 177.39 177.36 1apy s SER 124 N -1.66 6.08 0.21 -1.43 0.01 -1.26 -0.41 113.70 115.24 1apy s SER 124 Ca 0.35 1.07 -0.09 0.00 1.31 0.00 0.00 55.95 58.59 1apy s SER 124 Cb 0.21 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1apy s SER 124 CO 0.30 -0.81 0.33 0.42 0.41 0.00 0.00 173.24 173.90 1apy s THR 125 N -2.97 0.02 0.33 1.44 -4.23 -1.26 -4.80 115.64 104.18 1apy s THR 125 Ca 0.52 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1apy s THR 125 Cb -0.11 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.87 1apy s THR 125 CO 0.48 -0.10 1.97 -1.28 -0.54 0.00 0.00 174.62 175.15 1apy h SER 126 N 2.43 0.79 0.36 3.99 0.87 -1.98 -2.25 113.55 117.77 1apy h SER 126 Ca -0.30 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1apy h SER 126 Cb 1.24 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1apy h SER 126 CO 0.44 0.55 -0.17 0.00 -0.53 0.00 0.00 176.83 177.11 1apy h ALA 127 N 1.56 -0.49 -0.46 6.23 0.00 -1.96 -1.48 119.26 122.67 1apy h ALA 127 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1apy h ALA 127 Cb 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1apy h ALA 127 CO -0.08 -0.73 0.15 0.66 0.00 0.00 0.00 179.25 179.24 1apy h SER 128 N -0.57 0.61 -0.36 0.00 4.64 -1.71 -1.24 113.55 114.92 1apy h SER 128 Ca -0.05 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1apy h SER 128 Cb 0.43 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1apy h SER 128 CO 0.08 0.58 0.11 1.56 -0.87 0.00 0.00 176.83 178.29 1apy h GLN 129 N 0.66 0.56 -0.63 4.77 1.08 -1.30 -1.47 115.11 118.78 1apy h GLN 129 Ca 0.16 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1apy h GLN 129 Cb 0.19 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 1apy h GLN 129 CO -0.01 0.59 0.35 0.00 -0.95 0.00 0.00 178.83 178.81 1apy h ALA 130 N 0.95 0.83 -0.78 3.87 0.00 -0.79 0.58 119.26 123.92 1apy h ALA 130 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1apy h ALA 130 Cb 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1apy h ALA 130 CO -0.00 0.03 0.47 1.25 0.00 0.00 0.00 179.25 181.00 1apy h LEU 131 N 0.66 0.72 -0.38 0.00 5.85 -0.87 -1.74 115.31 119.55 1apy h LEU 131 Ca 0.27 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1apy h LEU 131 Cb 0.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1apy h LEU 131 CO -0.16 0.47 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.61 1apy h HIS 132 N 0.86 0.78 -0.65 1.25 2.76 -0.11 -2.82 115.15 117.21 1apy h HIS 132 Ca 0.34 -0.15 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1apy h HIS 132 Cb 0.16 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1apy h HIS 132 CO -0.05 0.82 0.14 0.77 -1.30 0.00 0.00 177.93 178.31 1apy h SER 133 N 0.51 0.98 0.59 3.26 0.02 -0.49 -0.89 113.55 117.53 1apy h SER 133 Ca 0.10 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1apy h SER 133 Cb 0.55 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1apy h SER 133 CO 0.03 0.96 -0.25 0.44 -1.14 0.00 0.00 176.83 176.87 1apy h ASP 134 N 0.98 0.00 -0.05 3.07 3.32 -1.33 -1.23 116.42 121.18 1apy h ASP 134 Ca 0.20 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1apy h ASP 134 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1apy h ASP 134 CO 0.00 0.25 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.35 1apy h TRP 135 N 0.00 0.28 -1.01 4.55 7.01 -1.09 -1.73 115.95 123.97 1apy h TRP 135 Ca -0.00 -0.12 0.05 0.00 2.11 0.00 0.00 58.89 60.93 1apy h TRP 135 Cb 0.61 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 1apy h TRP 135 CO 0.00 0.80 0.65 -0.07 -2.79 0.00 0.00 178.44 177.04 1apy h LEU 136 N -0.31 1.08 -0.83 0.65 3.38 -0.93 0.33 115.31 118.68 1apy h LEU 136 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1apy h LEU 136 Cb 0.81 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1apy h LEU 136 CO 0.04 0.72 0.39 0.00 0.09 0.00 0.00 178.44 179.67 1apy h ALA 137 N 1.43 1.07 -0.05 1.53 0.00 -1.15 -1.91 119.26 120.17 1apy h ALA 137 Ca 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1apy h ALA 137 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1apy h ALA 137 CO -0.14 0.65 0.01 0.54 0.00 0.00 0.00 179.25 180.30 1apy n ARG 138 N -4.31 1.30 -3.45 0.00 1.74 -0.66 -4.82 116.66 106.46 1apy n ARG 138 Ca 0.08 -0.26 -0.23 0.00 -0.77 0.00 0.00 57.85 56.67 1apy n ARG 138 Cb 0.15 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1apy n ARG 138 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1apy n ASN 139 N 0.10 -6.16 -3.59 0.55 4.13 -0.72 -2.93 115.26 106.62 1apy n ASN 139 Ca 0.03 -0.47 -0.23 0.00 1.68 0.00 0.00 54.58 55.59 1apy n ASN 139 Cb 0.37 -4.82 0.08 0.00 -1.54 0.00 0.00 39.78 33.86 1apy n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1apy s GLN 141 N -6.10 3.34 0.52 0.00 -1.52 -1.15 -3.50 119.66 111.25 1apy s GLN 141 Ca 0.43 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 1apy s GLN 141 Cb -0.19 -2.73 0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1apy s GLN 141 CO 0.74 0.06 0.76 -1.25 -0.25 0.00 0.00 175.29 175.35 1apy s PRO 142 N 0.74 2.75 0.31 2.91 0.04 -1.26 -4.89 135.00 135.61 1apy s PRO 142 Ca -0.05 -0.59 0.02 0.00 0.04 0.00 0.00 61.00 60.42 1apy s PRO 142 Cb -0.15 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1apy s PRO 142 CO 0.01 -0.57 0.34 0.54 0.04 0.00 0.00 177.00 177.37 1apy s ASN 143 N -4.34 1.09 -0.26 6.66 2.20 -1.23 -5.09 114.94 113.97 1apy s ASN 143 Ca 0.54 -1.57 0.09 0.00 -0.94 0.00 0.00 52.86 50.98 1apy s ASN 143 Cb -0.10 0.57 0.47 0.00 -2.00 0.00 0.00 41.25 40.19 1apy s ASN 143 CO 0.39 -1.12 1.35 -1.22 -2.94 0.00 0.00 177.10 173.56 1apy n TYR 144 N -0.54 0.74 -3.93 1.54 4.01 -1.26 -5.01 117.16 112.71 1apy n TYR 144 Ca 0.04 -1.63 -0.29 0.00 -0.16 0.00 0.00 57.90 55.86 1apy n TYR 144 Cb 0.63 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1apy n TYR 144 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1apy s TRP 145 N -3.28 3.51 -0.11 -0.72 0.52 -1.26 -5.11 118.94 112.49 1apy s TRP 145 Ca 0.42 0.21 -0.18 0.00 0.02 0.00 0.00 56.10 56.57 1apy s TRP 145 Cb 0.39 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1apy s TRP 145 CO -0.03 0.57 0.46 -0.98 0.02 0.00 0.00 176.95 176.98 1apy s ARG 146 N -2.75 0.68 -1.22 4.98 1.70 -1.26 -4.85 118.95 116.24 1apy s ARG 146 Ca 0.35 0.33 -0.00 0.00 -0.47 0.00 0.00 55.73 55.94 1apy s ARG 146 Cb -0.12 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1apy s ARG 146 CO 0.28 -0.15 0.94 0.09 -1.08 0.00 0.00 175.30 175.38 1apy n ASN 147 N 2.03 -1.98 -4.21 -2.89 3.02 -1.26 -5.03 115.26 104.94 1apy n ASN 147 Ca -0.17 -0.66 -0.16 0.00 -0.03 0.00 0.00 54.58 53.56 1apy n ASN 147 Cb 0.57 -4.92 -0.10 0.00 -0.61 0.00 0.00 39.78 34.72 1apy n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1apy s VAL 148 N -3.42 0.35 -0.09 2.41 -7.23 -1.26 -4.32 120.40 106.84 1apy s VAL 148 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1apy s VAL 148 Cb -0.00 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1apy s VAL 148 CO 0.75 0.00 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.67 1apy s ILE 149 N -3.84 2.02 0.88 -0.62 -1.09 0.36 -3.84 121.20 115.07 1apy s ILE 149 Ca 0.38 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 1apy s ILE 149 Cb 0.07 -1.74 0.12 0.00 -1.58 0.00 0.00 42.46 39.33 1apy s ILE 149 CO 0.14 0.55 1.16 -2.16 -1.23 0.00 0.00 174.94 173.40 1apy s PRO 150 N 0.29 1.38 -0.34 2.79 0.04 -1.26 -0.69 135.00 137.20 1apy s PRO 150 Ca -0.17 0.19 -0.36 0.00 0.04 0.00 0.00 61.00 60.70 1apy s PRO 150 Cb -0.17 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1apy s PRO 150 CO 0.08 -2.01 2.15 -3.47 0.04 0.00 0.00 177.00 173.79 1apy n ASP 151 N -3.62 2.12 0.29 6.66 -0.08 -1.25 -4.82 116.55 115.85 1apy n ASP 151 Ca 0.08 0.48 0.17 0.00 -1.51 0.00 0.00 54.79 54.00 1apy n ASP 151 Cb 0.60 -1.24 0.95 0.00 2.34 0.00 0.00 41.12 43.77 1apy n ASP 151 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1apy h PRO 152 N 11.82 0.00 0.00 -0.67 0.11 -1.78 0.15 132.00 141.63 1apy h PRO 152 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1apy h PRO 152 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1apy h PRO 152 CO 1.02 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1apy n SER 153 N -3.71 0.42 0.00 -2.05 3.41 -1.26 -4.09 113.62 106.34 1apy n SER 153 Ca -0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1apy n SER 153 Cb 0.12 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1apy n SER 153 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1apy n LYS 154 N -1.91 2.43 -4.48 4.33 5.02 -0.65 -5.01 118.16 117.88 1apy n LYS 154 Ca 0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 1apy n LYS 154 Cb 0.32 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1apy n LYS 154 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1apy s TYR 155 N -1.72 2.22 0.83 2.13 2.02 -0.05 -4.83 117.35 117.94 1apy s TYR 155 Ca 0.00 -0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 1apy s TYR 155 Cb 0.00 -1.14 0.19 0.00 -0.40 0.00 0.00 41.96 40.61 1apy s TYR 155 CO 0.00 0.56 1.12 0.00 -1.57 0.00 0.00 175.55 175.66 1apy n GLY 157 N -2.47 1.22 3.78 0.00 0.00 -1.26 -4.79 105.19 101.67 1apy n GLY 157 Ca 0.15 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1apy n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1apy s PRO 158 N -1.17 2.74 0.26 1.61 0.04 -1.26 -5.11 135.00 132.11 1apy s PRO 158 Ca 0.00 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.35 1apy s PRO 158 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1apy s PRO 158 CO 0.00 -1.28 0.05 0.71 0.04 0.00 0.00 177.00 176.53 1apy s TYR 159 N -2.65 2.82 0.06 0.56 2.02 -1.26 -4.57 117.35 114.32 1apy s TYR 159 Ca 0.63 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1apy s TYR 159 Cb -0.18 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 1apy s TYR 159 CO 0.47 0.59 -0.07 0.21 -1.57 0.00 0.00 175.55 175.18 1apy s LYS 160 N -3.72 0.62 0.77 -0.62 2.20 0.13 -4.94 119.74 114.18 1apy s LYS 160 Ca 0.32 -0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 54.85 1apy s LYS 160 Cb -0.07 -0.23 0.06 0.00 -1.51 0.00 0.00 37.83 36.09 1apy s LYS 160 CO 0.21 0.02 1.16 -2.14 -0.36 0.00 0.00 175.35 174.24 1apy s PRO 161 N -2.36 1.98 0.00 4.03 0.02 -1.26 -0.49 135.00 136.91 1apy s PRO 161 Ca -0.03 1.54 0.15 0.00 0.02 0.00 0.00 61.00 62.69 1apy s PRO 161 Cb -0.05 -1.84 0.92 0.00 0.02 0.00 0.00 34.50 33.55 1apy s PRO 161 CO -0.02 -1.91 1.33 -2.30 -0.33 0.00 0.00 177.00 173.77