#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otg s LYS 2 N 0.00 3.39 0.66 -0.52 1.02 -1.26 -4.79 119.74 118.25 2otg s LYS 2 Ca 0.00 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 2otg s LYS 2 Cb 0.00 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.34 2otg s LYS 2 CO 0.00 -0.13 1.06 -0.51 -0.92 0.00 0.00 175.35 174.85 2otg s LEU 3 N 1.29 3.09 0.36 3.17 1.43 -1.26 -5.11 118.68 121.64 2otg s LEU 3 Ca 0.03 1.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.55 2otg s LEU 3 Cb -0.14 -4.28 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 2otg s LEU 3 CO -0.02 -1.13 0.49 -0.44 0.23 0.00 0.00 176.35 175.47 2otg s SER 4 N -4.18 5.81 0.17 2.29 0.01 -1.26 -4.92 113.70 111.62 2otg s SER 4 Ca 0.57 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.38 2otg s SER 4 Cb -0.11 -1.03 0.12 0.00 0.21 0.00 0.00 66.02 65.20 2otg s SER 4 CO 0.53 -0.53 1.71 -0.61 0.41 0.00 0.00 173.24 174.76 2otg h GLN 5 N 0.84 0.16 -0.79 12.44 -0.00 -1.99 -0.77 115.11 125.01 2otg h GLN 5 Ca -0.44 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.30 2otg h GLN 5 Cb 1.26 -0.04 -0.12 0.00 0.00 0.00 0.00 27.48 28.59 2otg h GLN 5 CO 0.51 0.11 -0.50 -0.44 0.00 0.00 0.00 178.83 178.51 2otg h ASP 6 N 0.17 -1.77 0.11 -0.69 3.45 -2.00 0.35 116.42 116.04 2otg h ASP 6 Ca 0.20 0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.94 2otg h ASP 6 Cb 0.26 0.81 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 2otg h ASP 6 CO -0.29 -0.30 -0.05 -0.08 -1.57 0.00 0.00 179.24 176.95 2otg h GLU 7 N -0.12 -0.14 -0.72 3.56 4.57 -1.84 -2.83 114.58 117.05 2otg h GLU 7 Ca 0.19 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.50 2otg h GLU 7 Cb 0.52 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 2otg h GLU 7 CO -0.83 0.03 0.48 0.82 -1.18 0.00 0.00 179.01 178.33 2otg h ILE 8 N -0.29 0.87 -0.53 2.32 2.04 0.29 -2.50 117.51 119.71 2otg h ILE 8 Ca -0.02 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 2otg h ILE 8 Cb 0.24 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2otg h ILE 8 CO 0.02 0.10 -0.11 0.44 0.00 0.00 0.00 178.15 178.60 2otg h ASP 9 N 0.52 1.01 -0.47 1.72 3.32 -0.13 -2.86 116.42 119.54 2otg h ASP 9 Ca 0.34 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2otg h ASP 9 Cb 0.63 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2otg h ASP 9 CO -0.12 1.12 0.16 0.44 -1.72 0.00 0.00 179.24 179.13 2otg h ASP 10 N 0.90 0.67 -0.96 6.45 3.45 -1.30 -2.57 116.42 123.07 2otg h ASP 10 Ca 0.14 -0.19 0.08 0.00 0.43 0.00 0.00 57.03 57.49 2otg h ASP 10 Cb 0.67 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 39.20 2otg h ASP 10 CO 0.05 0.68 0.60 0.25 -1.57 0.00 0.00 179.24 179.25 2otg h LEU 11 N 0.62 0.93 0.38 1.55 5.85 -1.49 -1.26 115.31 121.89 2otg h LEU 11 Ca 0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2otg h LEU 11 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2otg h LEU 11 CO -0.01 0.56 -0.26 0.11 -0.34 0.00 0.00 178.44 178.50 2otg h LYS 12 N 1.04 -0.60 -0.42 1.25 1.57 -1.23 0.60 116.57 118.78 2otg h LYS 12 Ca 0.44 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.32 2otg h LYS 12 Cb 0.28 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2otg h LYS 12 CO -0.21 -0.40 0.09 0.93 -0.57 0.00 0.00 179.45 179.29 2otg h GLU 13 N -0.62 0.22 -0.13 3.15 5.08 -1.14 0.53 114.58 121.66 2otg h GLU 13 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2otg h GLU 13 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2otg h GLU 13 CO 0.02 0.15 0.07 0.28 -1.00 0.00 0.00 179.01 178.53 2otg h VAL 14 N 0.23 1.09 -0.67 3.13 2.07 -1.01 -0.50 116.25 120.58 2otg h VAL 14 Ca 0.20 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2otg h VAL 14 Cb 0.24 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2otg h VAL 14 CO -0.26 0.08 0.39 0.15 0.02 0.00 0.00 177.57 177.95 2otg h PHE 15 N 0.12 0.72 0.00 1.57 3.04 0.80 -1.95 116.94 121.24 2otg h PHE 15 Ca 0.05 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2otg h PHE 15 Cb 0.06 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.35 2otg h PHE 15 CO -0.05 0.37 0.00 -1.91 -2.02 0.00 0.00 178.31 174.71 2otg n GLU 16 N -4.75 0.00 -0.39 1.11 4.07 0.18 -0.37 120.64 120.49 2otg n GLU 16 Ca 0.08 0.68 0.30 0.00 -0.06 0.00 0.00 57.16 58.16 2otg n GLU 16 Cb 0.14 -1.48 0.59 0.00 -0.06 0.00 0.00 31.44 30.63 2otg n GLU 16 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2otg h LEU 17 N 0.00 0.33 0.03 4.31 5.85 -0.97 0.22 115.31 125.08 2otg h LEU 17 Ca 0.00 0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.56 2otg h LEU 17 Cb 0.00 0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.12 2otg h LEU 17 CO 0.00 -0.06 -1.15 -0.26 -0.34 0.00 0.00 178.44 176.63 2otg h PHE 18 N 0.22 0.82 -0.54 1.25 -1.00 -0.93 -2.87 116.94 113.88 2otg h PHE 18 Ca 0.71 -0.50 0.06 0.00 2.81 0.00 0.00 57.97 61.05 2otg h PHE 18 Cb 2.09 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 41.55 2otg h PHE 18 CO -0.00 1.35 0.36 0.22 -1.61 0.00 0.00 178.31 178.63 2otg h ASP 19 N 0.24 0.43 -0.39 2.17 3.58 0.23 -1.77 116.42 120.91 2otg h ASP 19 Ca -0.15 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 2otg h ASP 19 Cb 1.82 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 2otg h ASP 19 CO 0.21 0.28 -0.16 0.15 -2.88 0.00 0.00 179.24 176.84 2otg h PHE 20 N 0.49 0.91 0.00 0.28 3.57 -1.34 -3.16 116.94 117.69 2otg h PHE 20 Ca 0.23 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2otg h PHE 20 Cb 0.30 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2otg h PHE 20 CO -0.00 0.96 0.00 0.91 -2.23 0.00 0.00 178.31 177.95 2otg n TRP 21 N -4.28 0.00 -2.06 0.41 7.02 -0.67 -2.49 117.44 115.37 2otg n TRP 21 Ca -0.02 -0.14 -0.05 0.00 -1.02 0.00 0.00 57.50 56.28 2otg n TRP 21 Cb 0.40 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 29.14 2otg n TRP 21 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2otg n ASP 22 N 0.32 -0.86 -0.17 -0.99 5.68 -1.21 -5.07 116.55 114.25 2otg n ASP 22 Ca 0.00 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 2otg n ASP 22 Cb 0.26 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2otg n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2otg n GLY 23 N -0.27 0.06 3.67 6.12 0.00 -1.04 -4.96 105.19 108.77 2otg n GLY 23 Ca -0.20 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2otg n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otg s ARG 24 N -2.11 4.22 0.00 1.61 3.52 -1.23 -4.44 118.95 120.53 2otg s ARG 24 Ca 0.00 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 2otg s ARG 24 Cb 0.00 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2otg s ARG 24 CO 0.00 -0.75 0.19 -0.40 -0.81 0.00 0.00 175.30 173.53 2otg n ASP 25 N 6.59 -0.10 -0.38 -2.12 3.85 -1.26 -5.01 116.55 118.12 2otg n ASP 25 Ca 0.15 -0.39 -0.05 0.00 -0.71 0.00 0.00 54.79 53.80 2otg n ASP 25 Cb 0.43 0.03 -0.02 0.00 -1.35 0.00 0.00 41.12 40.21 2otg n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2otg n GLY 26 N 0.00 0.64 3.10 6.12 0.00 -1.26 -4.99 105.19 108.79 2otg n GLY 26 Ca -0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2otg n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otg s ALA 27 N -1.78 0.96 0.12 4.61 0.00 -1.26 -3.94 121.76 120.47 2otg s ALA 27 Ca 0.00 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.36 2otg s ALA 27 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2otg s ALA 27 CO 0.00 0.17 -0.27 0.08 0.00 0.00 0.00 175.76 175.74 2otg s VAL 28 N -0.79 2.25 0.15 0.00 1.01 -0.66 -4.62 120.40 117.74 2otg s VAL 28 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 2otg s VAL 28 Cb -0.07 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 2otg s VAL 28 CO 0.01 0.11 1.13 -0.62 0.00 0.00 0.00 175.10 175.73 2otg s ASP 29 N -2.00 7.20 0.61 3.32 -1.08 -1.26 0.06 116.67 123.51 2otg s ASP 29 Ca 0.14 2.09 0.28 0.00 -0.52 0.00 0.00 52.55 54.54 2otg s ASP 29 Cb -0.10 -2.60 1.47 0.00 -1.46 0.00 0.00 42.92 40.23 2otg s ASP 29 CO 0.06 -0.30 1.87 0.00 0.52 0.00 0.00 175.17 177.32 2otg h ALA 30 N 5.52 2.02 0.00 3.66 0.00 0.21 0.58 119.26 131.26 2otg h ALA 30 Ca -0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2otg h ALA 30 Cb 1.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2otg h ALA 30 CO 0.75 -0.67 -0.12 0.35 0.00 0.00 0.00 179.25 179.56 2otg h PHE 31 N 0.00 0.00 -0.59 0.00 3.57 -1.82 -3.10 116.94 115.00 2otg h PHE 31 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2otg h PHE 31 Cb 1.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2otg h PHE 31 CO 0.00 0.12 0.00 1.63 -2.23 0.00 0.00 178.31 177.83 2otg n LYS 32 N -3.22 2.56 -0.27 1.11 4.76 0.20 -4.39 118.16 118.90 2otg n LYS 32 Ca 0.01 -2.40 -0.01 0.00 -2.87 0.00 0.00 58.31 53.05 2otg n LYS 32 Cb 0.42 -1.53 0.12 0.00 -1.84 0.00 0.00 35.03 32.20 2otg n LYS 32 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2otg h ILE 33 N 4.15 1.01 0.35 -0.18 2.04 -1.60 -0.26 117.51 123.03 2otg h ILE 33 Ca 0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2otg h ILE 33 Cb 0.94 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2otg h ILE 33 CO 0.00 0.15 -0.17 1.23 0.00 0.00 0.00 178.15 179.36 2otg h GLY 34 N 0.83 -0.50 2.00 5.37 0.00 -1.83 -2.42 103.07 106.52 2otg h GLY 34 Ca 0.33 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 2otg h GLY 34 CO -0.17 -0.18 -0.00 -0.55 0.00 0.00 0.00 176.54 175.64 2otg h ASP 35 N -0.53 0.00 0.00 0.19 5.19 -1.74 -1.39 116.42 118.15 2otg h ASP 35 Ca -0.05 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.25 2otg h ASP 35 Cb 0.40 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.92 2otg h ASP 35 CO 0.08 0.00 -0.44 0.58 -3.12 0.00 0.00 179.24 176.34 2otg h VAL 36 N 0.00 1.49 0.00 -1.35 2.07 -0.66 -3.16 116.25 114.64 2otg h VAL 36 Ca -0.00 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.39 2otg h VAL 36 Cb 0.01 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2otg h VAL 36 CO 0.00 0.58 -0.43 0.00 0.02 0.00 0.00 177.57 177.74 2otg h ARG 38 N 0.00 0.68 0.00 0.00 3.08 -1.30 -1.30 114.38 115.55 2otg h ARG 38 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2otg h ARG 38 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2otg h ARG 38 CO 0.06 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.58 2otg n LEU 40 N -1.41 2.55 0.00 0.00 4.77 -0.50 -4.97 117.00 117.44 2otg n LEU 40 Ca 0.06 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2otg n LEU 40 Cb 0.17 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2otg n LEU 40 CO 0.15 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2otg n GLY 41 N 1.35 0.61 3.94 -0.72 0.00 -0.70 -5.10 105.19 104.57 2otg n GLY 41 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2otg n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2otg s ILE 42 N -2.00 4.46 -0.54 -0.61 1.01 -1.19 -5.05 121.20 117.28 2otg s ILE 42 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.34 2otg s ILE 42 Cb 0.00 -3.65 0.28 0.00 0.01 0.00 0.00 42.46 39.10 2otg s ILE 42 CO 0.00 -0.48 0.75 0.59 0.00 0.00 0.00 174.94 175.80 2otg n ASN 43 N -2.03 2.82 -4.69 3.58 3.02 -1.26 -4.33 115.26 112.38 2otg n ASN 43 Ca -0.01 -3.29 -0.31 0.00 -0.03 0.00 0.00 54.58 50.94 2otg n ASN 43 Cb 0.57 -0.63 0.15 0.00 -0.61 0.00 0.00 39.78 39.26 2otg n ASN 43 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2otg s PRO 44 N -2.45 1.20 0.24 3.52 0.02 -1.26 -4.93 135.00 131.35 2otg s PRO 44 Ca 0.41 1.31 0.08 0.00 0.02 0.00 0.00 61.00 62.81 2otg s PRO 44 Cb 0.21 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.93 2otg s PRO 44 CO -0.07 -2.42 0.13 1.03 -0.33 0.00 0.00 177.00 175.33 2otg s ARG 45 N -4.73 2.73 0.47 5.54 0.52 -1.26 -5.01 118.95 117.21 2otg s ARG 45 Ca 0.65 -1.13 0.16 0.00 -0.52 0.00 0.00 55.73 54.89 2otg s ARG 45 Cb -0.21 -2.46 1.13 0.00 0.52 0.00 0.00 34.95 33.94 2otg s ARG 45 CO 0.58 0.40 2.03 -0.91 0.02 0.00 0.00 175.30 177.42 2otg h ASN 46 N 1.76 0.23 0.59 0.23 -0.26 -1.96 -0.37 115.58 115.79 2otg h ASN 46 Ca -0.47 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.14 2otg h ASN 46 Cb 1.24 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.43 2otg h ASN 46 CO 0.61 0.15 -0.61 -0.08 -1.06 0.00 0.00 177.43 176.43 2otg h GLU 47 N 0.26 0.02 -0.14 0.81 4.81 -1.98 -2.20 114.58 116.17 2otg h GLU 47 Ca 0.20 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2otg h GLU 47 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2otg h GLU 47 CO -0.04 0.63 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.38 2otg h ASP 48 N 0.02 0.29 0.22 1.04 3.45 -1.49 -1.94 116.42 118.02 2otg h ASP 48 Ca -0.01 -0.39 -0.07 0.00 0.43 0.00 0.00 57.03 56.99 2otg h ASP 48 Cb 1.09 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.77 2otg h ASP 48 CO 0.08 0.62 -0.28 -0.37 -1.57 0.00 0.00 179.24 177.72 2otg h VAL 49 N -0.04 1.23 0.00 -1.35 -1.51 -1.37 -2.18 116.25 111.03 2otg h VAL 49 Ca 0.03 -1.08 -0.02 0.00 -1.23 0.00 0.00 66.70 64.40 2otg h VAL 49 Cb 0.50 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2otg h VAL 49 CO 0.02 0.32 -0.11 -0.26 -1.23 0.00 0.00 177.57 176.31 2otg h PHE 50 N 0.10 0.00 0.00 5.19 0.05 -1.30 0.13 116.94 121.11 2otg h PHE 50 Ca 0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.80 2otg h PHE 50 Cb 0.56 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.51 2otg h PHE 50 CO 0.00 0.11 -0.28 0.00 -0.18 0.00 0.00 178.31 177.96 2otg n ALA 51 N -2.13 2.63 0.45 2.45 0.00 -0.74 -3.75 120.51 119.42 2otg n ALA 51 Ca 0.03 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.38 2otg n ALA 51 Cb 0.52 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.67 2otg n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2otg n VAL 52 N -2.08 0.00 0.00 0.00 0.24 -1.12 -5.00 118.33 110.37 2otg n VAL 52 Ca 0.05 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2otg n VAL 52 Cb 0.42 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 2otg n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2otg n GLY 53 N 0.71 3.47 2.42 7.63 0.00 -1.16 -4.81 105.19 113.44 2otg n GLY 53 Ca 0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2otg n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otg n GLY 54 N 0.00 -3.12 3.69 -0.02 0.00 0.44 -4.94 105.19 101.24 2otg n GLY 54 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2otg n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2otg s THR 55 N -1.55 1.47 0.00 2.61 -4.23 -1.19 -4.61 115.64 108.15 2otg s THR 55 Ca 0.37 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2otg s THR 55 Cb -0.25 -2.52 -0.26 0.00 1.34 0.00 0.00 72.50 70.81 2otg s THR 55 CO 0.58 0.00 0.84 0.45 -0.54 0.00 0.00 174.62 175.96 2otg h HIS 56 N 1.55 0.30 -3.92 3.99 -0.00 -1.94 -3.42 115.15 111.71 2otg h HIS 56 Ca -0.44 -0.22 -0.12 0.00 -0.00 0.00 0.00 60.37 59.59 2otg h HIS 56 Cb 1.28 -0.01 -0.16 0.00 -0.00 0.00 0.00 27.41 28.52 2otg h HIS 56 CO 1.18 1.28 -0.54 -1.59 -0.00 0.00 0.00 177.93 178.27 2otg s LYS 57 N -2.62 0.63 0.92 2.45 -2.85 -1.26 -5.06 119.74 111.95 2otg s LYS 57 Ca -0.08 -0.90 -0.12 0.00 -1.00 0.00 0.00 55.97 53.87 2otg s LYS 57 Cb 0.07 0.24 0.06 0.00 -2.06 0.00 0.00 37.83 36.15 2otg s LYS 57 CO 0.84 -0.16 0.64 -1.33 0.10 0.00 0.00 175.35 175.44 2otg n MET 58 N 0.48 -0.27 -1.04 1.78 2.81 -1.26 -3.73 117.12 115.90 2otg n MET 58 Ca -0.17 -0.03 -0.01 0.00 -1.81 0.00 0.00 57.70 55.68 2otg n MET 58 Cb 0.60 -2.01 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 2otg n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2otg n GLY 59 N 1.16 0.39 0.10 3.03 0.00 -1.26 -4.90 105.19 103.71 2otg n GLY 59 Ca 0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2otg n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2otg n GLU 60 N -1.38 0.80 -3.65 1.61 1.02 -1.24 -5.02 120.64 112.78 2otg n GLU 60 Ca -0.01 0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 2otg n GLU 60 Cb 0.24 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 2otg n GLU 60 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2otg s LYS 61 N -2.46 0.71 -0.00 3.49 2.20 -1.26 -5.07 119.74 117.34 2otg s LYS 61 Ca -0.19 1.01 0.05 0.00 -0.36 0.00 0.00 55.97 56.48 2otg s LYS 61 Cb 0.07 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 2otg s LYS 61 CO 0.68 -0.12 -0.15 -1.54 -0.36 0.00 0.00 175.35 173.86 2otg s SER 62 N 0.88 3.98 -0.11 1.43 1.04 -1.26 0.93 113.70 120.60 2otg s SER 62 Ca -0.04 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2otg s SER 62 Cb -0.05 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.31 2otg s SER 62 CO -0.07 0.30 -0.20 -0.76 0.98 0.00 0.00 173.24 173.48 2otg s LEU 63 N -1.11 1.96 1.00 2.42 1.43 0.11 -4.87 118.68 119.63 2otg s LEU 63 Ca 0.13 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2otg s LEU 63 Cb -0.11 -1.28 0.19 0.00 0.03 0.00 0.00 46.19 45.03 2otg s LEU 63 CO 0.03 0.09 1.08 -2.84 0.23 0.00 0.00 176.35 174.94 2otg s PRO 64 N 0.66 0.37 0.43 1.29 0.02 -1.26 -1.66 135.00 134.84 2otg s PRO 64 Ca -0.12 0.70 0.14 0.00 0.02 0.00 0.00 61.00 61.74 2otg s PRO 64 Cb -0.16 -1.72 0.92 0.00 0.02 0.00 0.00 34.50 33.56 2otg s PRO 64 CO 0.03 -2.82 1.95 0.35 -0.33 0.00 0.00 177.00 176.18 2otg h PHE 65 N -1.96 0.02 0.00 6.54 3.04 -1.99 -2.19 116.94 120.39 2otg h PHE 65 Ca -0.54 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.41 2otg h PHE 65 Cb 1.32 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2otg h PHE 65 CO 0.33 0.24 0.00 0.39 -2.02 0.00 0.00 178.31 177.25 2otg n GLU 66 N -4.27 0.21 -0.00 1.11 4.71 -1.26 -1.13 120.64 120.02 2otg n GLU 66 Ca -0.02 0.14 0.05 0.00 -0.01 0.00 0.00 57.16 57.32 2otg n GLU 66 Cb 0.28 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.26 2otg n GLU 66 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2otg n GLU 67 N -1.30 0.53 -0.08 3.49 1.02 -0.83 -4.62 120.64 118.85 2otg n GLU 67 Ca 0.07 -1.16 -0.14 0.00 -0.02 0.00 0.00 57.16 55.91 2otg n GLU 67 Cb 0.13 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 2otg n GLU 67 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2otg h PHE 68 N 2.15 0.00 -0.91 -0.32 3.57 -1.10 -3.28 116.94 117.04 2otg h PHE 68 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2otg h PHE 68 Cb 0.46 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.09 2otg h PHE 68 CO 0.00 0.96 -0.53 1.28 -2.23 0.00 0.00 178.31 177.80 2otg n LEU 69 N -4.56 -0.94 -0.16 0.59 4.77 -1.22 0.11 117.00 115.58 2otg n LEU 69 Ca -0.17 1.61 -0.04 0.00 -0.03 0.00 0.00 56.01 57.39 2otg n LEU 69 Cb 0.48 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2otg n LEU 69 CO 0.22 -1.32 0.71 -0.65 -1.33 0.00 0.00 177.39 175.01 2otg h PRO 70 N 0.00 -0.09 0.98 3.23 0.11 -1.85 0.01 132.00 134.39 2otg h PRO 70 Ca 0.15 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 2otg h PRO 70 Cb 0.38 0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.52 2otg h PRO 70 CO -0.86 -0.06 -0.49 0.00 -0.21 0.00 0.00 178.00 176.38 2otg h ALA 71 N 1.28 -1.35 -0.38 -0.75 0.00 0.70 -2.02 119.26 116.74 2otg h ALA 71 Ca 0.24 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2otg h ALA 71 Cb 0.47 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 2otg h ALA 71 CO -0.58 -1.26 -0.40 -0.92 0.00 0.00 0.00 179.25 176.09 2otg h TYR 72 N -1.34 -1.15 -0.17 0.00 3.20 0.11 -0.86 116.97 116.76 2otg h TYR 72 Ca -0.13 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.85 2otg h TYR 72 Cb 1.03 0.56 -0.07 0.00 1.54 0.00 0.00 36.73 39.80 2otg h TYR 72 CO -0.02 -0.43 -0.29 0.93 -1.64 0.00 0.00 178.16 176.71 2otg h GLU 73 N -0.32 -0.33 -0.79 1.82 5.08 -1.02 0.24 114.58 119.26 2otg h GLU 73 Ca 0.14 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 2otg h GLU 73 Cb 0.58 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 2otg h GLU 73 CO -0.55 -0.22 0.31 0.78 -1.00 0.00 0.00 179.01 178.33 2otg h GLY 74 N -0.34 1.22 2.00 -3.84 0.00 -0.80 0.13 103.07 101.43 2otg h GLY 74 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2otg h GLY 74 CO -0.37 -0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.07 2otg n LEU 75 N -5.03 0.61 -0.00 3.11 7.99 0.02 -2.41 117.00 121.29 2otg n LEU 75 Ca 0.16 0.70 0.14 0.00 -0.01 0.00 0.00 56.01 57.00 2otg n LEU 75 Cb 0.47 -0.68 0.53 0.00 -0.11 0.00 0.00 43.42 43.63 2otg n LEU 75 CO 0.16 -0.72 0.83 0.23 -1.51 0.00 0.00 177.39 176.38 2otg n MET 76 N -2.23 0.03 -0.27 3.23 2.81 0.44 -3.75 117.12 117.39 2otg n MET 76 Ca 0.01 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 2otg n MET 76 Cb 0.14 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.43 2otg n MET 76 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2otg n ASP 77 N -1.48 3.40 -4.18 7.83 8.00 -1.01 -4.97 116.55 124.13 2otg n ASP 77 Ca 0.07 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.31 2otg n ASP 77 Cb 0.33 -0.35 0.18 0.00 -0.02 0.00 0.00 41.12 41.26 2otg n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otg s GLU 79 N -5.75 4.31 -0.21 0.00 2.02 -1.26 -5.05 118.70 112.75 2otg s GLU 79 Ca 0.74 0.55 -0.08 0.00 0.02 0.00 0.00 54.97 56.20 2otg s GLU 79 Cb -0.03 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2otg s GLU 79 CO 0.51 0.02 0.08 -1.14 0.02 0.00 0.00 175.26 174.75 2otg s GLN 80 N 1.05 3.88 0.89 1.61 -0.44 -1.26 -4.99 119.66 120.39 2otg s GLN 80 Ca 0.28 -0.38 -0.10 0.00 -2.50 0.00 0.00 55.36 52.66 2otg s GLN 80 Cb -0.16 -3.30 0.13 0.00 -1.64 0.00 0.00 33.01 28.05 2otg s GLN 80 CO 0.12 0.08 1.15 0.20 0.50 0.00 0.00 175.29 177.34 2otg s GLY 81 N 0.90 1.73 0.37 2.59 0.00 -1.26 -5.03 107.32 106.61 2otg s GLY 81 Ca 0.04 0.58 0.08 0.00 0.00 0.00 0.00 44.72 45.43 2otg s GLY 81 CO 0.03 0.99 -0.02 -0.51 0.00 0.00 0.00 173.10 173.59 2otg s THR 82 N -2.64 2.24 0.21 0.90 -4.23 -1.26 -5.00 115.64 105.86 2otg s THR 82 Ca 0.67 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 2otg s THR 82 Cb -0.23 -2.82 0.16 0.00 1.34 0.00 0.00 72.50 70.95 2otg s THR 82 CO 0.57 -0.12 1.70 0.22 -0.54 0.00 0.00 174.62 176.46 2otg h TYR 83 N 1.85 0.19 -0.11 3.99 3.20 -1.97 -1.46 116.97 122.66 2otg h TYR 83 Ca -0.43 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2otg h TYR 83 Cb 1.25 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2otg h TYR 83 CO 0.73 -0.04 0.06 0.00 -1.64 0.00 0.00 178.16 177.27 2otg h ALA 84 N 1.48 0.14 -0.80 1.82 0.00 -1.99 -1.54 119.26 118.37 2otg h ALA 84 Ca 0.32 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.36 2otg h ALA 84 Cb 0.47 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2otg h ALA 84 CO -0.41 -0.32 0.22 -0.44 0.00 0.00 0.00 179.25 178.30 2otg h ASP 85 N 0.08 0.04 0.17 0.00 3.45 -1.68 -2.07 116.42 116.41 2otg h ASP 85 Ca 0.04 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 2otg h ASP 85 Cb 0.08 0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2otg h ASP 85 CO -0.01 -0.07 -0.08 1.88 -1.57 0.00 0.00 179.24 179.40 2otg h TYR 86 N 0.27 -0.21 -0.60 4.55 0.05 -1.19 -3.15 116.97 116.70 2otg h TYR 86 Ca 0.47 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.37 2otg h TYR 86 Cb 0.86 0.07 -0.10 0.00 1.01 0.00 0.00 36.73 38.57 2otg h TYR 86 CO -0.25 0.22 0.02 0.52 -1.05 0.00 0.00 178.16 177.62 2otg h MET 87 N -0.81 0.13 -0.89 4.88 2.86 -0.92 -1.07 114.93 119.11 2otg h MET 87 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2otg h MET 87 Cb 0.53 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 2otg h MET 87 CO 0.04 0.09 0.59 0.93 1.06 0.00 0.00 176.91 179.61 2otg h GLU 88 N 0.14 1.14 -0.03 1.72 4.39 -1.51 0.23 114.58 120.66 2otg h GLU 88 Ca 0.31 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2otg h GLU 88 Cb 0.49 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2otg h GLU 88 CO -0.49 0.75 0.01 0.00 -1.16 0.00 0.00 179.01 178.13 2otg h ALA 89 N 1.35 0.03 -0.34 3.43 0.00 -1.18 -2.12 119.26 120.43 2otg h ALA 89 Ca 0.34 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2otg h ALA 89 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2otg h ALA 89 CO -0.09 -0.43 -0.02 0.74 0.00 0.00 0.00 179.25 179.45 2otg h PHE 90 N -0.04 0.56 -0.78 0.00 0.04 -1.05 -1.96 116.94 113.70 2otg h PHE 90 Ca 0.01 -0.06 0.11 0.00 2.80 0.00 0.00 57.97 60.83 2otg h PHE 90 Cb 0.08 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2otg h PHE 90 CO -0.05 0.56 0.51 -0.22 -0.60 0.00 0.00 178.31 178.52 2otg h LYS 91 N 0.51 0.61 0.00 1.51 1.63 0.08 -0.85 116.57 120.06 2otg h LYS 91 Ca 0.11 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 2otg h LYS 91 Cb 0.37 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2otg h LYS 91 CO 0.01 0.40 -0.08 1.79 -3.45 0.00 0.00 179.45 178.12 2otg h THR 92 N 0.63 0.76 -0.01 1.00 1.35 -0.83 -0.61 112.91 115.19 2otg h THR 92 Ca 0.37 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2otg h THR 92 Cb 0.58 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2otg h THR 92 CO -0.14 0.08 -0.17 0.49 -0.25 0.00 0.00 175.52 175.53 2otg n PHE 93 N -3.99 0.00 -3.36 4.73 3.01 -0.34 -4.75 117.46 112.76 2otg n PHE 93 Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.98 2otg n PHE 93 Cb 0.17 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 2otg n PHE 93 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2otg s ASP 94 N -2.31 6.10 0.00 4.37 2.15 -0.24 -4.94 116.67 121.80 2otg s ASP 94 Ca 0.29 -1.79 0.00 0.00 0.43 0.00 0.00 52.55 51.48 2otg s ASP 94 Cb 0.20 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2otg s ASP 94 CO 0.45 -0.82 0.58 0.54 -0.17 0.00 0.00 175.17 175.75 2otg n ARG 95 N 5.19 0.00 -0.27 4.34 3.00 -1.26 -3.53 116.66 124.13 2otg n ARG 95 Ca -0.13 0.32 0.07 0.00 -0.01 0.00 0.00 57.85 58.10 2otg n ARG 95 Cb 0.40 -1.08 0.19 0.00 0.00 0.00 0.00 32.46 31.98 2otg n ARG 95 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2otg h GLU 96 N 0.00 0.15 0.00 5.56 4.11 -1.95 -3.46 114.58 118.98 2otg h GLU 96 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2otg h GLU 96 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2otg h GLU 96 CO 0.00 0.10 0.00 0.41 0.07 0.00 0.00 179.01 179.59 2otg n GLY 97 N -1.40 0.98 2.27 1.06 0.00 -1.23 -4.98 105.19 101.88 2otg n GLY 97 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2otg n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2otg n GLN 98 N -2.04 2.42 -3.47 1.61 1.13 -1.26 -4.92 117.38 110.84 2otg n GLN 98 Ca 0.00 -3.12 -0.19 0.00 -1.94 0.00 0.00 57.00 51.75 2otg n GLN 98 Cb 0.00 -2.22 0.07 0.00 0.11 0.00 0.00 30.24 28.19 2otg n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otg n GLY 99 N -1.06 -0.58 3.29 1.08 0.00 -1.26 -5.03 105.19 101.63 2otg n GLY 99 Ca 0.61 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.73 2otg n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2otg s PHE 100 N -3.46 1.41 -0.29 1.61 0.08 -1.26 -4.00 117.98 112.08 2otg s PHE 100 Ca 0.14 -1.06 -0.17 0.00 0.12 0.00 0.00 56.93 55.96 2otg s PHE 100 Cb -0.03 -0.82 0.18 0.00 -0.57 0.00 0.00 43.02 41.78 2otg s PHE 100 CO 0.76 -0.22 1.15 -1.50 -0.10 0.00 0.00 175.22 175.31 2otg s ILE 101 N -3.64 0.00 0.28 0.64 2.07 -1.07 -4.53 121.20 114.94 2otg s ILE 101 Ca 0.30 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.24 2otg s ILE 101 Cb 0.07 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.53 2otg s ILE 101 CO 0.09 0.00 1.39 -0.24 -1.91 0.00 0.00 174.94 174.26 2otg n SER 102 N 3.13 2.86 -0.34 4.50 2.88 -1.26 -2.03 113.62 123.35 2otg n SER 102 Ca -0.17 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 2otg n SER 102 Cb 0.57 -1.46 0.32 0.00 -0.75 0.00 0.00 64.21 62.88 2otg n SER 102 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2otg h GLY 103 N 3.73 1.74 1.05 0.46 0.00 -1.73 0.17 103.07 108.50 2otg h GLY 103 Ca -0.45 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 2otg h GLY 103 CO 0.72 -0.10 0.27 0.00 0.00 0.00 0.00 176.54 177.43 2otg h ALA 104 N 1.65 1.01 0.35 3.60 0.00 -1.89 -0.29 119.26 123.68 2otg h ALA 104 Ca 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2otg h ALA 104 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2otg h ALA 104 CO -0.40 0.66 -0.17 1.49 0.00 0.00 0.00 179.25 180.83 2otg h GLU 105 N 1.14 -0.45 -0.31 0.00 4.57 -1.12 0.65 114.58 119.06 2otg h GLU 105 Ca 0.25 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.52 2otg h GLU 105 Cb 0.26 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.88 2otg h GLU 105 CO -0.01 -0.23 -0.47 1.25 -1.18 0.00 0.00 179.01 178.37 2otg h LEU 106 N -0.58 -1.54 -1.40 1.64 5.85 -0.63 0.79 115.31 119.42 2otg h LEU 106 Ca -0.05 0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2otg h LEU 106 Cb 0.43 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2otg h LEU 106 CO 0.08 -0.41 0.48 0.03 -0.34 0.00 0.00 178.44 178.28 2otg h ARG 107 N -0.42 0.67 0.61 1.25 3.08 -0.86 -1.72 114.38 116.99 2otg h ARG 107 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2otg h ARG 107 Cb 0.61 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.52 2otg h ARG 107 CO -0.52 0.44 -0.29 1.25 -1.07 0.00 0.00 179.97 179.78 2otg h HIS 108 N 0.69 -0.76 -0.95 3.04 2.76 0.64 -2.82 115.15 117.75 2otg h HIS 108 Ca 0.33 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.67 2otg h HIS 108 Cb 0.38 0.25 -0.11 0.00 1.55 0.00 0.00 27.41 29.49 2otg h HIS 108 CO -0.00 -0.47 0.54 0.28 -1.30 0.00 0.00 177.93 176.98 2otg h VAL 109 N -0.84 0.68 -0.09 5.26 2.07 0.51 0.19 116.25 124.02 2otg h VAL 109 Ca -0.08 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 2otg h VAL 109 Cb 0.64 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2otg h VAL 109 CO 0.14 0.12 -0.58 -0.07 0.02 0.00 0.00 177.57 177.20 2otg h LEU 110 N 0.68 0.33 -0.43 2.57 3.38 -1.25 -3.21 115.31 117.39 2otg h LEU 110 Ca 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2otg h LEU 110 Cb 0.87 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2otg h LEU 110 CO -0.40 0.84 -0.19 -1.54 0.09 0.00 0.00 178.44 177.24 2otg n SER 111 N -3.90 0.72 -0.10 -0.43 3.41 -1.05 -1.52 113.62 110.75 2otg n SER 111 Ca -0.02 -0.86 -0.15 0.00 -0.26 0.00 0.00 58.87 57.57 2otg n SER 111 Cb 0.60 0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 65.13 2otg n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2otg n GLY 112 N 0.89 -0.29 3.97 5.00 0.00 0.64 -4.38 105.19 111.02 2otg n GLY 112 Ca 0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2otg n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otg s LEU 113 N -6.32 3.63 0.00 0.99 1.43 -1.21 -4.80 118.68 112.39 2otg s LEU 113 Ca -0.27 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2otg s LEU 113 Cb 0.08 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.33 2otg s LEU 113 CO 0.45 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.88 2otg n GLY 114 N -2.03 -0.33 3.57 -3.19 0.00 -1.26 -3.35 105.19 98.60 2otg n GLY 114 Ca 0.03 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2otg n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2otg s GLU 115 N 0.00 2.56 0.06 1.61 -1.05 -1.26 -4.88 118.70 115.75 2otg s GLU 115 Ca 0.00 -0.97 -0.04 0.00 -0.15 0.00 0.00 54.97 53.81 2otg s GLU 115 Cb 0.00 -5.21 -0.03 0.00 -0.44 0.00 0.00 34.13 28.45 2otg s GLU 115 CO 0.00 -3.76 0.04 0.54 0.95 0.00 0.00 175.26 173.03 2otg n ARG 116 N 8.44 0.00 -3.92 -4.83 1.74 -1.21 -4.98 116.66 111.89 2otg n ARG 116 Ca 0.44 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.19 2otg n ARG 116 Cb 0.47 -0.18 -0.05 0.00 -1.02 0.00 0.00 32.46 31.68 2otg n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2otg s LEU 117 N 0.72 4.33 0.54 0.55 1.43 -0.57 -4.97 118.68 120.71 2otg s LEU 117 Ca 0.11 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 2otg s LEU 117 Cb -0.13 -2.66 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2otg s LEU 117 CO 0.11 0.24 1.05 -0.94 0.23 0.00 0.00 176.35 177.05 2otg s SER 118 N -2.04 6.02 0.56 2.29 1.04 -1.26 -4.33 113.70 115.98 2otg s SER 118 Ca 0.28 1.88 0.24 0.00 0.48 0.00 0.00 55.95 58.84 2otg s SER 118 Cb -0.13 -2.55 1.60 0.00 0.10 0.00 0.00 66.02 65.05 2otg s SER 118 CO 0.20 -1.00 2.21 0.44 0.98 0.00 0.00 173.24 176.07 2otg h ASP 119 N 0.95 0.00 0.72 7.02 3.32 -1.98 -0.58 116.42 125.87 2otg h ASP 119 Ca -0.48 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.32 2otg h ASP 119 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2otg h ASP 119 CO 0.58 0.00 -1.13 1.05 -1.72 0.00 0.00 179.24 178.02 2otg h GLU 120 N 0.00 0.19 -0.14 3.56 -0.00 -1.99 -2.83 114.58 113.37 2otg h GLU 120 Ca 0.01 -0.31 -0.05 0.00 -0.00 0.00 0.00 59.36 59.01 2otg h GLU 120 Cb 0.03 0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 2otg h GLU 120 CO -0.00 1.13 -0.14 0.93 -0.00 0.00 0.00 179.01 180.93 2otg h GLU 121 N 0.06 0.23 0.07 1.06 5.08 -1.49 -2.81 114.58 116.77 2otg h GLU 121 Ca -0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2otg h GLU 121 Cb 1.85 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2otg h GLU 121 CO 0.17 0.37 -0.03 0.28 -1.00 0.00 0.00 179.01 178.81 2otg h VAL 122 N 0.22 1.11 0.00 3.13 2.07 -1.35 -3.21 116.25 118.21 2otg h VAL 122 Ca 0.04 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2otg h VAL 122 Cb 0.38 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2otg h VAL 122 CO 0.02 0.33 0.00 0.47 0.02 0.00 0.00 177.57 178.41 2otg n ASP 123 N -4.79 0.00 0.02 0.57 10.43 -1.07 -1.94 116.55 119.76 2otg n ASP 123 Ca -0.07 0.44 -0.19 0.00 2.57 0.00 0.00 54.79 57.53 2otg n ASP 123 Cb 0.30 -0.47 -0.14 0.00 1.84 0.00 0.00 41.12 42.65 2otg n ASP 123 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 2otg h GLU 124 N 0.00 0.22 -0.00 -1.24 4.81 -1.57 -3.23 114.58 113.57 2otg h GLU 124 Ca 0.00 -0.38 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 2otg h GLU 124 Cb 0.18 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2otg h GLU 124 CO 0.00 1.18 -0.51 0.97 -0.73 0.00 0.00 179.01 179.92 2otg h ILE 125 N -0.50 1.37 -0.10 2.32 6.09 -1.39 -2.31 117.51 122.99 2otg h ILE 125 Ca -0.15 -1.75 -0.10 0.00 -1.37 0.00 0.00 64.86 61.49 2otg h ILE 125 Cb 1.53 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 40.75 2otg h ILE 125 CO 0.10 0.50 -0.38 0.40 -3.07 0.00 0.00 178.15 175.69 2otg h ILE 126 N 0.00 1.30 0.26 2.19 2.04 -1.56 -1.75 117.51 120.00 2otg h ILE 126 Ca -0.01 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 2otg h ILE 126 Cb 0.91 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2otg h ILE 126 CO 0.07 0.43 -0.13 0.78 0.00 0.00 0.00 178.15 179.30 2otg h ASN 127 N 0.18 -0.30 -0.72 1.72 2.35 -1.51 -0.79 115.58 116.50 2otg h ASN 127 Ca 0.02 -0.18 0.13 0.00 -0.55 0.00 0.00 56.30 55.72 2otg h ASN 127 Cb 0.77 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.12 2otg h ASN 127 CO 0.06 0.19 0.28 -0.07 -1.65 0.00 0.00 177.43 176.24 2otg h LEU 128 N -0.98 0.25 0.03 1.61 3.38 -1.41 -1.90 115.31 116.29 2otg h LEU 128 Ca -0.04 0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2otg h LEU 128 Cb 0.46 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2otg h LEU 128 CO 0.06 0.10 -1.13 0.71 0.09 0.00 0.00 178.44 178.27 2otg h THR 129 N 0.43 1.53 -3.16 0.22 1.35 -1.43 -3.49 112.91 108.37 2otg h THR 129 Ca 0.39 -3.03 -0.01 0.00 -0.55 0.00 0.00 66.41 63.21 2otg h THR 129 Cb 0.58 2.83 0.01 0.00 -1.73 0.00 0.00 68.15 69.84 2otg h THR 129 CO -0.39 0.88 -0.03 -0.67 -0.25 0.00 0.00 175.52 175.06 2otg n ASP 130 N -3.53 -2.33 -4.50 5.36 2.03 -0.36 -4.99 116.55 108.24 2otg n ASP 130 Ca -0.06 -0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.79 2otg n ASP 130 Cb 0.97 -0.98 -0.04 0.00 -0.72 0.00 0.00 41.12 40.35 2otg n ASP 130 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2otg s LEU 131 N -2.77 3.99 -0.65 -2.67 2.96 -0.89 -4.98 118.68 113.67 2otg s LEU 131 Ca 0.02 -0.60 -0.25 0.00 -0.22 0.00 0.00 54.13 53.08 2otg s LEU 131 Cb -0.00 -2.63 0.05 0.00 0.50 0.00 0.00 46.19 44.11 2otg s LEU 131 CO 0.05 -1.45 1.06 -1.58 -1.32 0.00 0.00 176.35 173.11 2otg s GLN 132 N 4.41 3.21 -0.08 1.98 0.74 -1.26 -5.01 119.66 123.66 2otg s GLN 132 Ca 0.29 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 2otg s GLN 132 Cb -0.13 -4.16 -0.05 0.00 1.10 0.00 0.00 33.01 29.77 2otg s GLN 132 CO 0.15 -1.82 1.71 -2.00 -0.55 0.00 0.00 175.29 172.77 2otg s GLU 133 N 4.57 4.07 0.75 1.67 2.12 -1.26 -4.84 118.70 125.77 2otg s GLU 133 Ca 0.29 2.14 -0.13 0.00 0.36 0.00 0.00 54.97 57.63 2otg s GLU 133 Cb -0.13 -4.03 0.05 0.00 0.26 0.00 0.00 34.13 30.28 2otg s GLU 133 CO 0.15 -0.98 1.14 0.16 -0.54 0.00 0.00 175.26 175.19 2otg s ASP 134 N 3.82 4.33 0.08 -1.70 -4.77 0.82 -4.79 116.67 114.46 2otg s ASP 134 Ca 0.76 2.12 -0.08 0.00 -3.30 0.00 0.00 52.55 52.04 2otg s ASP 134 Cb -0.33 -2.56 0.07 0.00 -1.09 0.00 0.00 42.92 39.01 2otg s ASP 134 CO 0.31 -2.16 0.61 0.18 0.70 0.00 0.00 175.17 174.81 2otg n LEU 135 N -3.02 -0.30 0.25 2.11 4.32 -1.26 0.56 117.00 119.67 2otg n LEU 135 Ca 0.11 0.69 0.09 0.00 -0.02 0.00 0.00 56.01 56.88 2otg n LEU 135 Cb 0.52 -0.14 0.63 0.00 -1.62 0.00 0.00 43.42 42.80 2otg n LEU 135 CO 0.49 -0.61 0.98 -0.33 -1.22 0.00 0.00 177.39 176.70 2otg h GLU 136 N 0.00 0.00 0.00 3.23 5.08 -2.03 -3.46 114.58 117.40 2otg h GLU 136 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2otg h GLU 136 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2otg h GLU 136 CO -0.39 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.14 2otg n GLY 137 N -1.11 1.66 3.77 -3.84 0.00 0.19 -5.10 105.19 100.77 2otg n GLY 137 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2otg n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2otg s ASN 138 N -2.00 4.19 0.22 1.61 -0.87 -1.24 -2.03 114.94 114.82 2otg s ASN 138 Ca 0.00 -1.57 -0.04 0.00 -1.57 0.00 0.00 52.86 49.68 2otg s ASN 138 Cb 0.00 0.44 -0.03 0.00 -0.02 0.00 0.00 41.25 41.64 2otg s ASN 138 CO 0.00 -0.86 0.23 0.68 -2.57 0.00 0.00 177.10 174.58 2otg s VAL 139 N -2.85 0.00 -0.54 1.60 -7.23 -0.86 -0.13 120.40 110.39 2otg s VAL 139 Ca 0.12 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 2otg s VAL 139 Cb 0.02 -2.43 0.11 0.00 0.56 0.00 0.00 36.38 34.63 2otg s VAL 139 CO 0.07 0.00 0.55 -0.54 -0.31 0.00 0.00 175.10 174.87 2otg s LYS 140 N -4.08 3.01 0.50 4.82 1.02 -1.26 -2.61 119.74 121.15 2otg s LYS 140 Ca 0.35 -1.48 0.26 0.00 0.02 0.00 0.00 55.97 55.12 2otg s LYS 140 Cb 0.05 -4.25 1.34 0.00 -0.52 0.00 0.00 37.83 34.45 2otg s LYS 140 CO 0.12 -1.34 2.03 0.10 -0.92 0.00 0.00 175.35 175.34 2otg h TYR 141 N 8.96 0.00 -0.28 3.18 -0.00 -1.91 -2.93 116.97 124.00 2otg h TYR 141 Ca -0.29 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.50 2otg h TYR 141 Cb 1.10 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.77 2otg h TYR 141 CO 0.75 0.14 -0.11 1.49 -0.00 0.00 0.00 178.16 180.43 2otg h GLU 142 N 0.00 -0.06 0.57 0.10 4.81 -1.92 -1.17 114.58 116.91 2otg h GLU 142 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2otg h GLU 142 Cb 0.40 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2otg h GLU 142 CO 0.02 -0.04 -0.37 0.93 -0.73 0.00 0.00 179.01 178.82 2otg h GLU 143 N -0.06 -0.85 -1.13 1.92 5.08 -1.94 -2.55 114.58 115.06 2otg h GLU 143 Ca 0.14 0.06 0.37 0.00 -1.00 0.00 0.00 59.36 58.93 2otg h GLU 143 Cb 0.27 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.58 2otg h GLU 143 CO -0.32 -0.57 0.69 0.35 -1.00 0.00 0.00 179.01 178.16 2otg h PHE 144 N -0.88 0.73 0.00 4.33 3.57 -1.55 0.44 116.94 123.57 2otg h PHE 144 Ca -0.08 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 2otg h PHE 144 Cb 0.71 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2otg h PHE 144 CO -0.07 -0.21 -0.49 0.28 -2.23 0.00 0.00 178.31 175.59 2otg h VAL 145 N 0.19 1.20 0.00 1.41 2.07 -0.88 -2.33 116.25 117.91 2otg h VAL 145 Ca 0.77 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 2otg h VAL 145 Cb 2.09 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 2otg h VAL 145 CO -0.52 0.48 -0.26 0.11 0.02 0.00 0.00 177.57 177.40 2otg h LYS 146 N 0.00 0.00 -0.71 1.57 1.57 0.20 -3.21 116.57 115.99 2otg h LYS 146 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 2otg h LYS 146 Cb 0.96 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.15 2otg h LYS 146 CO 0.06 0.63 0.02 0.87 -0.57 0.00 0.00 179.45 180.46 2otg h LYS 147 N -1.00 0.12 0.00 3.15 1.57 -1.19 0.64 116.57 119.86 2otg h LYS 147 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2otg h LYS 147 Cb 0.72 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2otg h LYS 147 CO -0.03 0.08 -0.07 0.28 -0.57 0.00 0.00 179.45 179.14 2otg h VAL 148 N 0.12 1.01 0.00 0.50 2.07 -1.55 -1.11 116.25 117.30 2otg h VAL 148 Ca 0.38 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2otg h VAL 148 Cb 0.66 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2otg h VAL 148 CO -0.61 0.07 -0.75 0.23 0.02 0.00 0.00 177.57 176.53 2otg n MET 149 N -4.41 0.03 0.02 1.57 2.81 0.78 -3.96 117.12 113.96 2otg n MET 149 Ca -0.03 -0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.76 2otg n MET 149 Cb 0.15 -1.51 -0.13 0.00 -0.71 0.00 0.00 33.22 31.02 2otg n MET 149 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2otg h THR 150 N 0.00 1.15 0.00 2.03 2.02 0.13 -3.51 112.91 114.74 2otg h THR 150 Ca 0.00 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.25 2otg h THR 150 Cb 0.52 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2otg h THR 150 CO 0.00 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 2otg n GLY 151 N 1.53 1.11 0.16 2.16 0.00 -0.75 -4.65 105.19 104.75 2otg n GLY 151 Ca -0.12 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 2otg n GLY 151 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2otg h PRO 152 N 0.00 -0.31 -5.18 1.61 0.11 -1.92 -3.34 132.00 122.98 2otg h PRO 152 Ca 0.00 0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 2otg h PRO 152 Cb 0.00 0.07 -0.17 0.00 0.11 0.00 0.00 31.00 31.01 2otg h PRO 152 CO 0.00 -0.20 0.11 0.71 -0.21 0.00 0.00 178.00 178.41 2otg s TYR 153 N -6.14 3.03 -0.53 0.65 2.02 -1.26 -4.98 117.35 110.14 2otg s TYR 153 Ca -0.15 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2otg s TYR 153 Cb 0.05 -3.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.10 2otg s TYR 153 CO 0.65 -1.01 0.63 -0.35 -1.57 0.00 0.00 175.55 173.89 2otg n PRO 154 N 6.31 0.85 -0.69 -1.71 -0.04 -1.26 -5.09 135.00 133.38 2otg n PRO 154 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2otg n PRO 154 Cb 0.46 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2otg n PRO 154 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21