#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ows h ILE 2 N 0.00 1.05 -0.68 1.53 2.10 -1.69 -0.04 117.51 119.79 1ows h ILE 2 Ca 0.00 -0.25 -0.03 0.00 1.08 0.00 0.00 64.86 65.66 1ows h ILE 2 Cb 0.00 1.13 -0.03 0.00 -1.09 0.00 0.00 36.82 36.83 1ows h ILE 2 CO 0.00 0.07 0.30 0.11 -1.08 0.00 0.00 178.15 177.55 1ows h LYS 3 N 0.01 1.00 -0.08 2.19 6.56 -1.97 0.23 116.57 124.52 1ows h LYS 3 Ca 0.00 -0.17 -0.15 0.00 -1.06 0.00 0.00 60.65 59.28 1ows h LYS 3 Cb 0.13 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 1ows h LYS 3 CO 0.01 0.82 -0.59 1.96 -2.06 0.00 0.00 179.45 179.58 1ows h GLN 4 N 0.96 0.27 -0.30 3.15 4.20 -1.65 -2.94 115.11 118.79 1ows h GLN 4 Ca 0.23 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1ows h GLN 4 Cb 0.17 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1ows h GLN 4 CO -0.02 0.78 -0.26 0.35 -0.67 0.00 0.00 178.83 179.01 1ows h PHE 5 N 0.20 0.83 -0.65 2.96 3.57 -0.52 0.38 116.94 123.71 1ows h PHE 5 Ca -0.00 -0.24 0.12 0.00 3.53 0.00 0.00 57.97 61.37 1ows h PHE 5 Cb 1.10 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.57 1ows h PHE 5 CO 0.02 0.98 0.20 -0.91 -2.23 0.00 0.00 178.31 176.37 1ows h ASN 6 N 0.45 0.13 0.04 0.41 -0.26 -0.44 -0.64 115.58 115.26 1ows h ASN 6 Ca 0.05 0.11 -0.16 0.00 -0.56 0.00 0.00 56.30 55.74 1ows h ASN 6 Cb 0.82 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 1ows h ASN 6 CO 0.07 0.06 -0.55 0.78 -1.06 0.00 0.00 177.43 176.73 1ows h ASN 7 N 0.34 0.60 -0.48 5.81 2.35 -1.35 -3.01 115.58 119.86 1ows h ASN 7 Ca 0.35 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1ows h ASN 7 Cb 0.51 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 1ows h ASN 7 CO -0.39 1.03 0.10 0.24 -1.65 0.00 0.00 177.43 176.76 1ows h MET 8 N 0.42 0.23 -0.58 0.81 2.86 0.49 -1.31 114.93 117.85 1ows h MET 8 Ca 0.01 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1ows h MET 8 Cb 1.09 -0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.60 1ows h MET 8 CO 0.10 0.15 -0.01 0.82 1.06 0.00 0.00 176.91 179.04 1ows h ILE 9 N 0.24 0.52 0.00 -1.22 2.04 -1.06 -1.00 117.51 117.04 1ows h ILE 9 Ca 0.24 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 1ows h ILE 9 Cb 0.31 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1ows h ILE 9 CO -0.31 0.02 -0.17 -0.33 0.00 0.00 0.00 178.15 177.36 1ows h GLU 10 N 0.11 0.00 -0.19 2.37 5.08 -1.19 -0.02 114.58 120.74 1ows h GLU 10 Ca 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1ows h GLU 10 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ows h GLU 10 CO -0.50 0.17 0.10 0.00 -1.00 0.00 0.00 179.01 177.78 1ows h THR 12 N 0.19 0.57 -2.07 0.00 1.35 -1.40 -3.26 112.91 108.30 1ows h THR 12 Ca 0.07 -1.97 -0.55 0.00 -0.55 0.00 0.00 66.41 63.40 1ows h THR 12 Cb 0.09 2.12 -0.40 0.00 -1.73 0.00 0.00 68.15 68.23 1ows h THR 12 CO -0.01 0.33 -0.97 0.52 -0.25 0.00 0.00 175.52 175.14 1ows n VAL 13 N -2.99 0.43 0.09 6.82 0.31 -0.04 -4.79 118.33 118.16 1ows n VAL 13 Ca -0.05 -4.54 0.13 0.00 -0.01 0.00 0.00 64.34 59.87 1ows n VAL 13 Cb 0.78 -1.58 0.62 0.00 -0.91 0.00 0.00 33.84 32.75 1ows n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1ows h PRO 14 N 3.73 0.10 0.00 5.55 0.11 -1.16 -1.35 132.00 138.99 1ows h PRO 14 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ows h PRO 14 Cb 0.82 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1ows h PRO 14 CO 0.58 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1ows n ALA 15 N -2.57 1.63 -2.40 -0.75 0.00 -1.26 -4.76 120.51 110.39 1ows n ALA 15 Ca 0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1ows n ALA 15 Cb 0.34 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1ows n ALA 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ows s ARG 17 N -2.86 1.66 0.31 0.00 0.52 -0.51 -5.17 118.95 112.91 1ows s ARG 17 Ca 0.08 -1.96 0.09 0.00 -0.52 0.00 0.00 55.73 53.42 1ows s ARG 17 Cb 0.08 -0.41 -0.06 0.00 0.52 0.00 0.00 34.95 35.08 1ows s ARG 17 CO 0.22 -0.38 -0.10 -1.54 0.02 0.00 0.00 175.30 173.52 1ows s SER 18 N -3.45 3.41 0.53 0.23 1.04 -1.26 -4.70 113.70 109.50 1ows s SER 18 Ca 0.33 -1.17 0.20 0.00 0.48 0.00 0.00 55.95 55.79 1ows s SER 18 Cb 0.06 -0.29 1.35 0.00 0.10 0.00 0.00 66.02 67.24 1ows s SER 18 CO 0.16 -0.21 2.11 4.11 0.98 0.00 0.00 173.24 180.39 1ows h TRP 19 N 2.15 0.00 -0.32 5.02 5.08 -1.94 -2.09 115.95 123.84 1ows h TRP 19 Ca -0.41 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.65 1ows h TRP 19 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 1ows h TRP 19 CO 0.75 0.00 0.27 -1.49 -1.28 0.00 0.00 178.44 176.69 1ows h TRP 20 N 0.00 0.00 0.00 0.12 4.06 -1.96 0.52 115.95 118.69 1ows h TRP 20 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1ows h TRP 20 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1ows h TRP 20 CO 0.00 0.00 0.00 -0.44 -3.56 0.00 0.00 178.44 174.44 1ows h ASP 21 N 0.00 0.00 -0.00 -3.49 3.32 -1.79 -2.42 116.42 112.03 1ows h ASP 21 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ows h ASP 21 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1ows h ASP 21 CO -0.00 0.00 -0.52 0.49 -1.72 0.00 0.00 179.24 177.49 1ows n PHE 22 N -2.87 0.00 -0.05 4.55 3.72 0.17 -4.49 117.46 118.49 1ows n PHE 22 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ows n PHE 22 Cb 0.22 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.06 1ows n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ows h ALA 23 N 2.33 1.44 -2.06 4.37 0.00 -0.83 -3.32 119.26 121.20 1ows h ALA 23 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1ows h ALA 23 Cb 0.42 -0.19 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1ows h ALA 23 CO 0.00 0.42 -1.03 -3.47 0.00 0.00 0.00 179.25 175.17 1ows n ASP 24 N -4.35 1.40 -4.14 0.00 4.64 -1.19 -3.47 116.55 109.45 1ows n ASP 24 Ca 0.03 -3.04 -0.28 0.00 -1.38 0.00 0.00 54.79 50.12 1ows n ASP 24 Cb 0.17 -0.62 -0.17 0.00 -1.04 0.00 0.00 41.12 39.46 1ows n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1ows s TYR 25 N -2.17 1.97 0.00 -0.67 6.14 -0.95 -1.47 117.35 120.20 1ows s TYR 25 Ca 0.40 -0.70 0.00 0.00 0.64 0.00 0.00 57.07 57.41 1ows s TYR 25 Cb 0.26 -1.35 0.00 0.00 0.42 0.00 0.00 41.96 41.30 1ows s TYR 25 CO -0.09 -0.28 0.00 0.41 0.64 0.00 0.00 175.55 176.23 1ows n GLY 26 N 3.43 1.06 1.55 8.97 0.00 0.90 -2.55 105.19 118.56 1ows n GLY 26 Ca -0.20 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.28 1ows n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows n TYR 28 N 0.49 -2.78 -1.51 0.00 4.01 -1.22 -3.21 117.16 112.94 1ows n TYR 28 Ca 0.25 0.67 -0.21 0.00 -0.16 0.00 0.00 57.90 58.46 1ows n TYR 28 Cb 1.03 1.64 -0.20 0.00 -0.31 0.00 0.00 39.34 41.50 1ows n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ows n GLY 30 N 5.77 3.09 0.00 0.00 0.00 -1.23 -2.25 105.19 110.58 1ows n GLY 30 Ca 0.64 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ows n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ows n SER 31 N 0.00 0.00 0.00 1.61 2.88 0.24 -5.06 113.62 113.29 1ows n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ows n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ows n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ows n GLY 33 N 0.00 0.80 0.00 0.46 0.00 -1.26 -4.78 105.19 100.41 1ows n GLY 33 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ows n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ows n SER 34 N 0.00 0.00 0.00 1.61 2.88 -1.20 -5.04 113.62 111.88 1ows n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ows n SER 34 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ows n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ows n GLY 35 N -0.73 -1.39 3.64 0.46 0.00 -0.94 -4.66 105.19 101.57 1ows n GLY 35 Ca 0.00 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1ows n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ows s SER 36 N -4.00 6.17 0.46 1.61 0.15 -1.26 -5.01 113.70 111.82 1ows s SER 36 Ca 0.00 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.62 1ows s SER 36 Cb 0.00 -2.14 -0.12 0.00 -1.71 0.00 0.00 66.02 62.04 1ows s SER 36 CO 0.00 -0.01 0.42 -2.65 1.20 0.00 0.00 173.24 172.20 1ows n PRO 37 N 4.61 0.44 -0.05 5.44 -0.02 -1.26 -4.77 135.00 139.39 1ows n PRO 37 Ca -0.13 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.38 1ows n PRO 37 Cb 0.52 -1.45 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1ows n PRO 37 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ows n THR 38 N -1.15 1.60 -2.98 3.45 -1.04 -1.26 -5.02 114.28 107.88 1ows n THR 38 Ca 0.11 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 1ows n THR 38 Cb 0.42 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1ows n THR 38 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ows n ASP 39 N -3.13 0.00 0.06 8.00 5.68 -1.26 -4.98 116.55 120.92 1ows n ASP 39 Ca -0.28 -0.89 -0.11 0.00 -0.50 0.00 0.00 54.79 53.00 1ows n ASP 39 Cb 1.06 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.99 1ows n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ows h ASP 40 N 0.00 -0.29 0.02 -1.12 3.32 -1.97 -2.25 116.42 114.13 1ows h ASP 40 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1ows h ASP 40 Cb 0.00 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1ows h ASP 40 CO 0.00 -0.15 -0.30 0.25 -1.72 0.00 0.00 179.24 177.32 1ows h LEU 41 N -0.19 -0.88 -0.93 1.55 5.85 -1.91 0.29 115.31 119.08 1ows h LEU 41 Ca 0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ows h LEU 41 Cb 0.22 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ows h LEU 41 CO -0.09 -0.37 0.05 -0.67 -0.34 0.00 0.00 178.44 177.02 1ows n ASP 42 N -5.40 0.36 -0.03 1.25 2.03 -1.15 -0.90 116.55 112.72 1ows n ASP 42 Ca -0.05 0.65 -0.22 0.00 0.52 0.00 0.00 54.79 55.69 1ows n ASP 42 Cb 0.31 -0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 39.90 1ows n ASP 42 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1ows h ARG 43 N 0.00 0.19 -0.96 -0.67 9.65 0.06 -3.15 114.38 119.50 1ows h ARG 43 Ca 0.00 -0.32 0.26 0.00 -1.10 0.00 0.00 59.98 58.82 1ows h ARG 43 Cb 0.09 0.12 -0.13 0.00 -1.39 0.00 0.00 29.97 28.66 1ows h ARG 43 CO 0.00 1.15 0.49 0.00 2.80 0.00 0.00 179.97 184.41 1ows h GLN 46 N 0.26 -0.36 0.00 0.00 4.15 -0.12 -2.02 115.11 117.02 1ows h GLN 46 Ca 0.00 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1ows h GLN 46 Cb 1.04 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1ows h GLN 46 CO 0.09 -0.21 -0.18 1.79 -1.93 0.00 0.00 178.83 178.39 1ows h THR 47 N -0.41 0.43 -0.10 2.39 1.35 -1.44 -1.74 112.91 113.39 1ows h THR 47 Ca -0.04 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1ows h THR 47 Cb 0.31 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ows h THR 47 CO 0.06 0.17 0.04 -0.74 -0.25 0.00 0.00 175.52 174.81 1ows h HIS 48 N 0.00 0.15 -0.69 4.73 -0.00 -1.10 0.45 115.15 118.68 1ows h HIS 48 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1ows h HIS 48 Cb 0.72 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 1ows h HIS 48 CO 0.00 0.24 0.44 -0.44 -0.00 0.00 0.00 177.93 178.17 1ows h ASP 49 N 0.01 0.81 -0.55 3.26 3.32 -1.11 -0.79 116.42 121.37 1ows h ASP 49 Ca 0.03 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ows h ASP 49 Cb 0.15 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1ows h ASP 49 CO -0.00 0.61 0.32 0.78 -1.72 0.00 0.00 179.24 179.22 1ows h ASN 50 N 0.94 0.49 -0.30 6.45 2.35 -0.79 0.10 115.58 124.83 1ows h ASN 50 Ca 0.25 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.07 1ows h ASN 50 Cb -0.08 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1ows h ASN 50 CO -0.05 0.34 -0.00 0.00 -1.65 0.00 0.00 177.43 176.07 1ows h TYR 52 N 0.09 0.87 -0.43 0.00 -1.99 -0.21 -0.46 116.97 114.84 1ows h TYR 52 Ca 0.14 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.93 1ows h TYR 52 Cb 0.19 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1ows h TYR 52 CO -0.22 0.45 0.29 0.78 -0.00 0.00 0.00 178.16 179.46 1ows h GLY 53 N 0.87 0.54 1.46 3.88 0.00 0.61 0.20 103.07 110.64 1ows h GLY 53 Ca 0.33 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.26 1ows h GLY 53 CO -0.16 0.17 -0.86 0.00 0.00 0.00 0.00 176.54 175.69 1ows h ALA 54 N 1.75 0.40 -0.01 3.60 0.00 0.13 -3.23 119.26 121.90 1ows h ALA 54 Ca 0.17 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1ows h ALA 54 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ows h ALA 54 CO -0.04 0.76 -0.64 0.78 0.00 0.00 0.00 179.25 180.12 1ows h GLY 55 N 1.04 0.06 2.00 0.00 0.00 -0.03 -2.73 103.07 103.41 1ows h GLY 55 Ca -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1ows h GLY 55 CO 0.16 0.07 -0.11 -1.33 0.00 0.00 0.00 176.54 175.32 1ows h GLY 56 N 1.81 0.00 2.00 4.60 0.00 -0.67 0.20 103.07 111.02 1ows h GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ows h GLY 56 CO 0.09 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.30 1ows h GLY 57 N 0.47 0.00 -5.90 4.60 0.00 -1.53 -3.41 103.07 97.31 1ows h GLY 57 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1ows h GLY 57 CO 0.01 0.00 0.90 -0.45 0.00 0.00 0.00 176.54 177.00 1ows s SER 58 N -4.84 6.81 0.07 0.19 0.15 0.71 -4.93 113.70 111.86 1ows s SER 58 Ca 0.02 1.03 -0.24 0.00 0.70 0.00 0.00 55.95 57.45 1ows s SER 58 Cb 0.09 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.73 1ows s SER 58 CO 0.43 -1.00 0.56 0.41 1.20 0.00 0.00 173.24 174.85 1ows n THR 59 N 6.11 0.73 -0.81 6.45 -1.04 -1.26 -0.74 114.28 123.73 1ows n THR 59 Ca 0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1ows n THR 59 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1ows n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ows n GLY 60 N 1.25 0.00 3.63 3.41 0.00 -1.26 -4.94 105.19 107.29 1ows n GLY 60 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ows n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows s ALA 62 N 2.62 2.87 0.10 0.00 0.00 -1.26 -4.44 121.76 121.65 1ows s ALA 62 Ca 0.29 -2.84 -0.20 0.00 0.00 0.00 0.00 51.96 49.21 1ows s ALA 62 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1ows s ALA 62 CO 0.08 -1.91 1.33 -2.30 0.00 0.00 0.00 175.76 172.96 1ows n PRO 63 N 3.63 -0.29 0.30 0.00 -0.02 -1.26 0.39 135.00 137.75 1ows n PRO 63 Ca 0.05 1.31 0.17 0.00 -2.02 0.00 0.00 63.50 63.00 1ows n PRO 63 Cb 0.36 -1.93 0.89 0.00 -0.02 0.00 0.00 33.50 32.80 1ows n PRO 63 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ows h LYS 64 N 0.00 0.00 0.00 -0.52 6.56 -1.96 -3.07 116.57 117.58 1ows h LYS 64 Ca 0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1ows h LYS 64 Cb 0.27 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1ows h LYS 64 CO -0.62 0.00 -1.17 0.45 -2.06 0.00 0.00 179.45 176.05 1ows n SER 65 N -2.78 4.17 -4.66 0.86 2.88 -0.20 -2.59 113.62 111.29 1ows n SER 65 Ca -0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 1ows n SER 65 Cb 0.21 1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 64.78 1ows n SER 65 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ows s ARG 66 N -2.24 4.20 -0.25 -1.46 3.00 0.16 -4.68 118.95 117.68 1ows s ARG 66 Ca -0.01 1.94 -0.24 0.00 -1.00 0.00 0.00 55.73 56.42 1ows s ARG 66 Cb 0.02 -3.88 -0.01 0.00 0.00 0.00 0.00 34.95 31.08 1ows s ARG 66 CO 0.15 -0.79 0.79 0.99 0.00 0.00 0.00 175.30 176.45 1ows s THR 67 N 3.80 4.86 0.51 4.11 2.01 -1.26 0.75 115.64 130.42 1ows s THR 67 Ca 0.65 1.47 0.06 0.00 0.31 0.00 0.00 61.69 64.18 1ows s THR 67 Cb -0.28 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.17 1ows s THR 67 CO 0.23 -0.06 0.40 -0.72 -0.69 0.00 0.00 174.62 173.77 1ows s TYR 68 N 2.79 1.94 -0.33 4.92 -0.85 -1.26 -4.90 117.35 119.66 1ows s TYR 68 Ca 0.33 -0.74 -0.06 0.00 -0.52 0.00 0.00 57.07 56.09 1ows s TYR 68 Cb -0.15 -1.99 0.04 0.00 0.38 0.00 0.00 41.96 40.23 1ows s TYR 68 CO 0.08 -0.37 0.09 0.99 -1.52 0.00 0.00 175.55 174.81 1ows s THR 69 N -2.69 3.72 0.32 -3.49 2.01 -1.26 -4.94 115.64 109.31 1ows s THR 69 Ca 0.39 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1ows s THR 69 Cb -0.02 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1ows s THR 69 CO 0.24 -0.14 0.14 -0.72 -0.69 0.00 0.00 174.62 173.44 1ows s TYR 70 N 1.40 1.66 -0.04 4.92 1.13 -1.26 -0.13 117.35 125.03 1ows s TYR 70 Ca -0.02 -1.29 -0.08 0.00 -1.41 0.00 0.00 57.07 54.28 1ows s TYR 70 Cb -0.19 -0.95 0.01 0.00 -1.10 0.00 0.00 41.96 39.73 1ows s TYR 70 CO 0.02 -0.41 0.19 -1.14 -2.51 0.00 0.00 175.55 171.71 1ows s GLN 71 N -3.84 0.38 -0.13 -3.49 0.74 0.11 -4.89 119.66 108.54 1ows s GLN 71 Ca 0.34 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.75 1ows s GLN 71 Cb 0.05 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.33 1ows s GLN 71 CO 0.16 -0.08 -0.19 0.00 -0.55 0.00 0.00 175.29 174.63 1ows s SER 73 N 0.67 3.52 -1.03 0.00 0.15 -0.08 -4.92 113.70 112.01 1ows s SER 73 Ca -0.09 -1.29 -0.17 0.00 0.70 0.00 0.00 55.95 55.10 1ows s SER 73 Cb -0.16 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 1ows s SER 73 CO 0.02 -0.40 0.71 1.67 1.20 0.00 0.00 173.24 176.44 1ows n GLN 74 N 5.08 -1.08 -0.32 5.44 7.27 -1.26 -1.95 117.38 130.57 1ows n GLN 74 Ca -0.05 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.58 1ows n GLN 74 Cb 0.43 -3.48 0.00 0.00 2.41 0.00 0.00 30.24 29.61 1ows n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ows n GLY 75 N -1.78 2.04 3.37 1.69 0.00 -1.23 -5.00 105.19 104.29 1ows n GLY 75 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1ows n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ows s THR 76 N -3.05 3.23 0.17 2.61 -1.32 -0.82 -4.38 115.64 112.07 1ows s THR 76 Ca 0.00 -0.58 -0.05 0.00 -1.21 0.00 0.00 61.69 59.84 1ows s THR 76 Cb 0.00 -2.39 -0.06 0.00 -1.51 0.00 0.00 72.50 68.54 1ows s THR 76 CO 0.00 0.50 0.41 -0.76 -2.21 0.00 0.00 174.62 172.56 1ows s LEU 77 N 0.60 4.24 -0.11 9.08 1.43 -1.26 -0.90 118.68 131.76 1ows s LEU 77 Ca -0.06 0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1ows s LEU 77 Cb -0.15 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.75 1ows s LEU 77 CO 0.03 0.02 0.25 -0.89 0.23 0.00 0.00 176.35 175.98 1ows s THR 78 N -1.71 -0.22 -0.02 5.49 2.01 -0.21 -4.99 115.64 115.99 1ows s THR 78 Ca 0.42 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 1ows s THR 78 Cb -0.12 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1ows s THR 78 CO 0.25 0.09 0.48 0.00 -0.69 0.00 0.00 174.62 174.74 1ows s SER 80 N -0.51 5.29 0.17 0.00 0.01 0.82 -4.97 113.70 114.49 1ows s SER 80 Ca 0.26 0.83 -0.06 0.00 1.31 0.00 0.00 55.95 58.29 1ows s SER 80 Cb -0.17 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.46 1ows s SER 80 CO 0.14 -1.35 1.45 1.23 0.41 0.00 0.00 173.24 175.12 1ows h GLY 81 N -0.52 0.68 0.02 3.44 0.00 -1.98 -3.29 103.07 101.43 1ows h GLY 81 Ca -0.45 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.04 1ows h GLY 81 CO 0.62 0.75 0.00 -1.84 0.00 0.00 0.00 176.54 176.07 1ows n GLU 82 N -3.94 0.16 -2.73 4.80 -0.00 -1.26 -4.76 120.64 112.91 1ows n GLU 82 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.71 1ows n GLU 82 Cb 0.64 -1.01 -0.04 0.00 -0.00 0.00 0.00 31.44 31.03 1ows n GLU 82 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1ows s ASN 83 N -1.84 7.48 0.85 -1.84 0.01 -1.24 -5.01 114.94 113.34 1ows s ASN 83 Ca 0.00 1.77 -0.10 0.00 -0.71 0.00 0.00 52.86 53.82 1ows s ASN 83 Cb 0.00 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.18 1ows s ASN 83 CO 0.00 -0.09 1.11 -0.94 -1.51 0.00 0.00 177.10 175.67 1ows s SER 84 N 0.15 3.72 0.37 -1.22 1.04 -1.26 -4.42 113.70 112.08 1ows s SER 84 Ca 0.48 1.95 0.20 0.00 0.48 0.00 0.00 55.95 59.06 1ows s SER 84 Cb -0.23 -2.52 1.22 0.00 0.10 0.00 0.00 66.02 64.59 1ows s SER 84 CO 0.30 -2.56 1.65 0.00 0.98 0.00 0.00 173.24 173.61 1ows h ALA 85 N -1.49 2.21 -0.07 5.32 0.00 -1.97 0.24 119.26 123.50 1ows h ALA 85 Ca -0.44 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1ows h ALA 85 Cb 1.25 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1ows h ALA 85 CO 0.47 -0.84 -0.38 0.00 0.00 0.00 0.00 179.25 178.50 1ows h ALA 87 N 0.43 0.02 -0.72 0.00 0.00 -0.99 -1.70 119.26 116.30 1ows h ALA 87 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ows h ALA 87 Cb 1.04 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1ows h ALA 87 CO 0.08 -0.41 0.37 0.00 0.00 0.00 0.00 179.25 179.29 1ows h ALA 88 N 0.86 1.00 0.17 0.00 0.00 -0.85 0.40 119.26 120.85 1ows h ALA 88 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ows h ALA 88 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ows h ALA 88 CO -0.00 -0.03 -0.08 1.15 0.00 0.00 0.00 179.25 180.29 1ows h THR 89 N 0.62 0.95 -0.09 0.00 2.02 -1.42 -1.57 112.91 113.42 1ows h THR 89 Ca 0.35 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1ows h THR 89 Cb 0.37 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1ows h THR 89 CO -0.26 0.16 -0.09 0.74 0.37 0.00 0.00 175.52 176.44 1ows h THR 90 N -0.59 0.74 -0.25 3.16 2.02 -1.03 -0.88 112.91 116.08 1ows h THR 90 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1ows h THR 90 Cb 0.44 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1ows h THR 90 CO 0.04 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.66 1ows h ASP 92 N -0.28 0.41 -0.35 0.00 3.58 -0.94 -0.44 116.42 118.39 1ows h ASP 92 Ca 0.14 0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.70 1ows h ASP 92 Cb 0.49 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.43 1ows h ASP 92 CO -0.41 0.26 -0.37 0.00 -2.88 0.00 0.00 179.24 175.84 1ows h ASP 94 N -0.32 0.71 0.40 0.00 3.32 -0.22 -1.42 116.42 118.89 1ows h ASP 94 Ca 0.14 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1ows h ASP 94 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ows h ASP 94 CO -0.52 0.53 -0.50 0.08 -1.72 0.00 0.00 179.24 177.10 1ows h ARG 95 N 0.83 0.12 -0.18 3.56 0.11 -0.61 0.89 114.38 119.09 1ows h ARG 95 Ca 0.22 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 60.09 1ows h ARG 95 Cb -0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1ows h ARG 95 CO -0.05 0.59 -0.50 -0.07 0.10 0.00 0.00 179.97 180.05 1ows h LEU 96 N 0.09 0.54 -0.08 0.08 3.38 -0.90 0.20 115.31 118.61 1ows h LEU 96 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1ows h LEU 96 Cb 0.92 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ows h LEU 96 CO 0.07 0.94 -0.06 0.00 0.09 0.00 0.00 178.44 179.49 1ows h ALA 97 N 1.07 0.12 -0.69 1.53 0.00 -0.98 0.11 119.26 120.42 1ows h ALA 97 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1ows h ALA 97 Cb 1.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1ows h ALA 97 CO 0.09 -0.09 0.40 0.00 0.00 0.00 0.00 179.25 179.65 1ows h ALA 98 N 0.60 0.93 -0.40 0.00 0.00 -0.68 0.12 119.26 119.82 1ows h ALA 98 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ows h ALA 98 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ows h ALA 98 CO 0.02 0.11 -0.11 0.82 0.00 0.00 0.00 179.25 180.08 1ows h ILE 99 N 0.75 1.25 -0.05 0.00 2.04 -0.87 -2.61 117.51 118.03 1ows h ILE 99 Ca 0.30 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 1ows h ILE 99 Cb 0.15 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ows h ILE 99 CO -0.17 0.39 -0.51 0.00 0.00 0.00 0.00 178.15 177.86 1ows h PHE 101 N 0.10 0.99 -0.62 0.00 0.04 -0.46 -2.59 116.94 114.40 1ows h PHE 101 Ca 0.00 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.41 1ows h PHE 101 Cb 0.94 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 1ows h PHE 101 CO 0.01 1.15 0.32 0.00 -0.60 0.00 0.00 178.31 179.19 1ows h ALA 102 N 0.67 1.41 0.00 2.45 0.00 -1.44 -3.07 119.26 119.27 1ows h ALA 102 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1ows h ALA 102 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1ows h ALA 102 CO 0.10 0.48 -0.89 0.78 0.00 0.00 0.00 179.25 179.72 1ows h GLY 103 N 0.93 0.00 -1.75 0.00 0.00 -1.51 -3.47 103.07 97.28 1ows h GLY 103 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.07 1ows h GLY 103 CO -0.03 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.88 1ows s ALA 104 N -2.90 2.95 0.33 3.60 0.00 -0.98 -5.03 121.76 119.73 1ows s ALA 104 Ca 0.01 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1ows s ALA 104 Cb 0.08 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1ows s ALA 104 CO 0.78 -0.43 0.98 -2.14 0.00 0.00 0.00 175.76 174.95 1ows s PRO 105 N -4.05 4.52 -0.28 0.00 0.02 -1.26 -4.93 135.00 129.01 1ows s PRO 105 Ca 0.61 1.42 -0.09 0.00 0.02 0.00 0.00 61.00 62.96 1ows s PRO 105 Cb -0.12 -2.81 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 1ows s PRO 105 CO 0.33 0.20 0.13 -0.47 -0.33 0.00 0.00 177.00 176.86 1ows s TYR 106 N -1.56 3.15 -0.32 6.54 6.14 -1.26 -4.50 117.35 125.54 1ows s TYR 106 Ca 0.51 -0.36 -0.08 0.00 0.64 0.00 0.00 57.07 57.77 1ows s TYR 106 Cb -0.21 -2.31 0.01 0.00 0.42 0.00 0.00 41.96 39.87 1ows s TYR 106 CO 0.27 -0.35 0.12 1.21 0.64 0.00 0.00 175.55 177.43 1ows s ASN 107 N 1.65 5.35 0.44 4.32 3.84 -1.26 -4.96 114.94 124.31 1ows s ASN 107 Ca 0.06 -0.80 0.16 0.00 0.21 0.00 0.00 52.86 52.49 1ows s ASN 107 Cb -0.16 -1.93 1.07 0.00 -0.55 0.00 0.00 41.25 39.68 1ows s ASN 107 CO 0.06 -0.25 1.94 0.44 -2.79 0.00 0.00 177.10 176.50 1ows h ASP 108 N 8.29 0.36 0.23 -4.21 3.32 -1.97 -0.25 116.42 122.19 1ows h ASP 108 Ca -0.29 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1ows h ASP 108 Cb 1.12 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1ows h ASP 108 CO 0.62 0.19 -0.03 0.74 -1.72 0.00 0.00 179.24 179.03 1ows h THR 109 N 0.38 0.29 -0.54 0.35 2.02 -2.04 -2.33 112.91 111.04 1ows h THR 109 Ca 0.34 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1ows h THR 109 Cb 0.79 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1ows h THR 109 CO -0.10 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.42 1ows n ASN 110 N -3.42 5.21 -4.60 4.18 3.02 -0.11 -4.82 115.26 114.72 1ows n ASN 110 Ca -0.02 -2.83 -0.34 0.00 -0.03 0.00 0.00 54.58 51.36 1ows n ASN 110 Cb 0.15 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 1ows n ASN 110 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ows s TYR 111 N -2.55 2.98 -1.43 3.10 5.04 -0.88 -0.07 117.35 123.54 1ows s TYR 111 Ca 0.52 0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 55.19 1ows s TYR 111 Cb 0.38 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.97 1ows s TYR 111 CO 0.17 0.36 0.15 -1.71 -1.34 0.00 0.00 175.55 173.18 1ows n ASN 112 N 2.18 -5.19 -4.81 4.32 4.05 -0.54 -4.98 115.26 110.29 1ows n ASN 112 Ca -0.18 -0.08 -0.33 0.00 0.45 0.00 0.00 54.58 54.44 1ows n ASN 112 Cb 0.53 -4.20 -0.02 0.00 1.23 0.00 0.00 39.78 37.32 1ows n ASN 112 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1ows s ILE 113 N -2.93 3.99 -0.77 -1.44 -4.36 -1.26 -4.97 121.20 109.45 1ows s ILE 113 Ca 0.07 1.07 -0.26 0.00 -0.26 0.00 0.00 60.65 61.28 1ows s ILE 113 Cb -0.03 -3.49 0.02 0.00 1.25 0.00 0.00 42.46 40.21 1ows s ILE 113 CO 0.09 -0.43 1.45 -0.62 0.24 0.00 0.00 174.94 175.67 1ows s ASP 114 N -2.49 6.00 0.31 4.36 3.68 -1.26 -4.86 116.67 122.41 1ows s ASP 114 Ca 0.64 -0.48 0.00 0.00 2.13 0.00 0.00 52.55 54.84 1ows s ASP 114 Cb -0.14 -2.56 0.53 0.00 -1.45 0.00 0.00 42.92 39.30 1ows s ASP 114 CO 0.28 -1.93 1.94 -0.07 0.13 0.00 0.00 175.17 175.52 1ows h LEU 115 N 13.87 0.88 0.00 -1.34 3.38 -1.93 -2.20 115.31 127.97 1ows h LEU 115 Ca -0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ows h LEU 115 Cb 1.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ows h LEU 115 CO 1.29 0.60 0.01 1.17 0.09 0.00 0.00 178.44 181.60 1ows n LYS 116 N -4.46 0.00 0.00 1.13 4.81 -1.26 -0.87 118.16 117.51 1ows n LYS 116 Ca 0.11 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1ows n LYS 116 Cb 0.14 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1ows n LYS 116 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ows n SER 117 N -1.23 1.46 0.00 3.14 3.41 -0.84 -4.83 113.62 114.74 1ows n SER 117 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1ows n SER 117 Cb 0.01 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1ows n SER 117 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ows n ARG 118 N -0.94 1.98 -0.12 4.33 5.12 -0.68 -4.82 116.66 121.53 1ows n ARG 118 Ca 0.00 -0.18 0.10 0.00 -1.93 0.00 0.00 57.85 55.83 1ows n ARG 118 Cb 0.00 -0.61 0.15 0.00 -1.16 0.00 0.00 32.46 30.84 1ows n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70