#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmp s ASP 6 N 0.00 5.06 0.04 -3.46 -0.00 -1.26 -5.11 116.67 111.94 3cmp s ASP 6 Ca 0.00 -0.10 0.08 0.00 -0.00 0.00 0.00 52.55 52.53 3cmp s ASP 6 Cb 0.00 -1.86 -0.03 0.00 -0.00 0.00 0.00 42.92 41.04 3cmp s ASP 6 CO 0.00 0.12 -0.24 -0.76 -0.00 0.00 0.00 175.17 174.30 3cmp s LEU 7 N 0.66 2.16 0.30 1.23 1.43 -1.26 -5.08 118.68 118.12 3cmp s LEU 7 Ca 0.00 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 3cmp s LEU 7 Cb -0.14 -1.14 -0.10 0.00 0.03 0.00 0.00 46.19 44.84 3cmp s LEU 7 CO 0.02 0.22 1.39 -0.63 0.23 0.00 0.00 176.35 177.58 3cmp s ILE 8 N -0.78 2.61 0.45 -0.59 1.01 -1.26 -4.95 121.20 117.70 3cmp s ILE 8 Ca 0.10 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 3cmp s ILE 8 Cb -0.09 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3cmp s ILE 8 CO 0.02 0.11 1.28 -2.84 0.00 0.00 0.00 174.94 173.51 3cmp s PRO 9 N -1.15 3.71 0.35 2.79 0.02 -1.26 -4.88 135.00 134.58 3cmp s PRO 9 Ca 0.54 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.35 3cmp s PRO 9 Cb -0.42 -2.54 -0.11 0.00 0.02 0.00 0.00 34.50 31.46 3cmp s PRO 9 CO 0.50 -0.68 1.48 0.00 -0.33 0.00 0.00 177.00 177.96 3cmp s ALA 10 N -1.35 3.60 0.64 -1.55 0.00 -1.26 -4.97 121.76 116.87 3cmp s ALA 10 Ca 0.62 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.96 3cmp s ALA 10 Cb -0.36 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.15 3cmp s ALA 10 CO 0.45 -0.96 1.06 -1.25 0.00 0.00 0.00 175.76 175.06 3cmp s PRO 11 N -1.64 3.11 0.38 0.00 0.04 -1.26 -4.99 135.00 130.63 3cmp s PRO 11 Ca 0.55 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 3cmp s PRO 11 Cb -0.45 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 3cmp s PRO 11 CO 0.58 -0.97 1.34 -1.25 0.04 0.00 0.00 177.00 176.74 3cmp s PRO 12 N -4.48 4.12 0.57 0.56 0.04 -1.26 -4.89 135.00 129.66 3cmp s PRO 12 Ca 0.61 2.27 0.28 0.00 0.04 0.00 0.00 61.00 64.20 3cmp s PRO 12 Cb -0.15 -2.90 1.50 0.00 0.04 0.00 0.00 34.50 32.98 3cmp s PRO 12 CO 0.45 -0.41 1.98 -0.07 0.04 0.00 0.00 177.00 178.99 3cmp h LEU 13 N 2.97 0.00 -1.76 -3.56 4.07 -1.94 -0.82 115.31 114.27 3cmp h LEU 13 Ca -0.50 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.56 3cmp h LEU 13 Cb 1.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.95 3cmp h LEU 13 CO 0.64 0.00 0.35 0.77 -1.08 0.00 0.00 178.44 179.12 3cmp h SER 14 N 0.00 0.25 0.15 -0.43 4.64 -2.02 -1.40 113.55 114.74 3cmp h SER 14 Ca 0.20 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3cmp h SER 14 Cb 0.97 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3cmp h SER 14 CO -0.00 0.15 -0.01 0.29 -0.87 0.00 0.00 176.83 176.39 3cmp n LYS 15 N -4.46 0.92 -3.77 4.77 5.02 -0.31 -4.62 118.16 115.70 3cmp n LYS 15 Ca 0.08 -0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 55.89 3cmp n LYS 15 Cb 0.39 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 3cmp n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cmp s VAL 16 N -2.16 3.51 1.15 -0.18 1.01 -0.53 -4.97 120.40 118.23 3cmp s VAL 16 Ca 0.41 -1.54 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 3cmp s VAL 16 Cb 0.21 -3.16 0.26 0.00 0.00 0.00 0.00 36.38 33.70 3cmp s VAL 16 CO 0.39 -0.39 1.05 -2.84 0.00 0.00 0.00 175.10 173.32 3cmp s PRO 17 N 1.29 -0.77 -0.06 2.72 0.02 -1.26 -4.99 135.00 131.95 3cmp s PRO 17 Ca 0.01 0.47 0.03 0.00 0.02 0.00 0.00 61.00 61.53 3cmp s PRO 17 Cb -0.21 -1.60 0.01 0.00 0.02 0.00 0.00 34.50 32.71 3cmp s PRO 17 CO -0.01 -3.53 -0.13 -1.17 -0.33 0.00 0.00 177.00 171.84 3cmp s LEU 18 N -6.98 1.73 0.04 -5.54 2.96 -1.26 -4.32 118.68 105.31 3cmp s LEU 18 Ca 0.68 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 3cmp s LEU 18 Cb -0.19 -0.84 -0.08 0.00 0.50 0.00 0.00 46.19 45.58 3cmp s LEU 18 CO 0.60 0.07 1.86 -1.58 -1.32 0.00 0.00 176.35 175.98 3cmp s GLN 19 N 0.46 4.15 0.42 1.98 2.00 -0.23 -4.93 119.66 123.50 3cmp s GLN 19 Ca -0.11 2.51 -0.25 0.00 -2.00 0.00 0.00 55.36 55.52 3cmp s GLN 19 Cb -0.14 -3.98 -0.08 0.00 0.80 0.00 0.00 33.01 29.61 3cmp s GLN 19 CO 0.03 -0.90 1.16 -0.65 -0.50 0.00 0.00 175.29 174.44 3cmp s GLN 20 N 3.92 3.98 -1.15 1.67 -1.52 -1.26 -3.86 119.66 121.44 3cmp s GLN 20 Ca 0.83 1.80 -0.24 0.00 -1.95 0.00 0.00 55.36 55.80 3cmp s GLN 20 Cb -0.41 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 29.79 3cmp s GLN 20 CO 0.38 -0.37 0.77 0.27 -0.25 0.00 0.00 175.29 176.08 3cmp n ASN 21 N -0.08 -5.07 -4.68 5.90 2.04 -1.26 -4.82 115.26 107.29 3cmp n ASN 21 Ca 0.05 -1.08 -0.42 0.00 -0.44 0.00 0.00 54.58 52.69 3cmp n ASN 21 Cb 0.47 -2.94 -0.03 0.00 -2.53 0.00 0.00 39.78 34.75 3cmp n ASN 21 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3cmp s PHE 22 N -3.46 2.39 -0.74 -2.53 2.19 -1.25 -4.96 117.98 109.62 3cmp s PHE 22 Ca 0.47 0.45 -0.16 0.00 0.33 0.00 0.00 56.93 58.01 3cmp s PHE 22 Cb -0.19 -3.84 0.16 0.00 -1.31 0.00 0.00 43.02 37.84 3cmp s PHE 22 CO 0.89 -3.34 0.77 -0.65 1.83 0.00 0.00 175.22 174.71 3cmp s GLN 23 N 3.18 3.36 0.31 10.12 -1.52 -1.26 -4.84 119.66 129.00 3cmp s GLN 23 Ca 0.70 -1.92 0.02 0.00 -1.95 0.00 0.00 55.36 52.21 3cmp s GLN 23 Cb -0.34 -4.45 0.59 0.00 -0.22 0.00 0.00 33.01 28.59 3cmp s GLN 23 CO 0.29 -1.45 1.91 0.38 -0.25 0.00 0.00 175.29 176.17 3cmp h ASP 24 N 8.51 0.85 -0.45 5.90 2.03 -1.99 -1.67 116.42 129.60 3cmp h ASP 24 Ca -0.06 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.20 3cmp h ASP 24 Cb 1.06 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.37 3cmp h ASP 24 CO 0.95 0.53 0.11 -0.55 -1.03 0.00 0.00 179.24 179.25 3cmp h ASN 25 N 0.95 0.74 1.59 4.15 -1.07 -2.00 -2.90 115.58 117.05 3cmp h ASN 25 Ca 0.39 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.62 3cmp h ASN 25 Cb 0.27 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 3cmp h ASN 25 CO -0.15 0.74 0.00 1.56 0.07 0.00 0.00 177.43 179.65 3cmp h GLN 26 N 0.76 0.00 -0.00 4.14 4.20 -1.74 -3.04 115.11 119.42 3cmp h GLN 26 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3cmp h GLN 26 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3cmp h GLN 26 CO 0.00 0.00 -0.12 0.34 -0.67 0.00 0.00 178.83 178.38 3cmp n PHE 27 N -3.00 0.00 -1.44 2.96 -0.00 -1.02 -4.81 117.46 110.15 3cmp n PHE 27 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.14 3cmp n PHE 27 Cb 0.44 -0.18 0.09 0.00 -0.00 0.00 0.00 39.48 39.83 3cmp n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3cmp s GLN 28 N -2.48 2.15 0.00 -4.13 -0.21 -1.15 -4.76 119.66 109.08 3cmp s GLN 28 Ca 0.28 1.73 0.00 0.00 0.02 0.00 0.00 55.36 57.40 3cmp s GLN 28 Cb 0.20 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.37 3cmp s GLN 28 CO 0.48 -1.82 0.00 0.41 -2.12 0.00 0.00 175.29 172.24 3cmp n GLY 29 N 0.33 -0.73 3.73 3.09 0.00 0.22 -4.90 105.19 106.92 3cmp n GLY 29 Ca 0.13 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 3cmp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cmp s LYS 30 N -0.44 4.59 0.02 1.61 2.20 -1.26 -1.27 119.74 125.18 3cmp s LYS 30 Ca 0.00 1.31 0.08 0.00 -0.36 0.00 0.00 55.97 57.00 3cmp s LYS 30 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3cmp s LYS 30 CO 0.00 0.14 -0.23 -1.58 -0.36 0.00 0.00 175.35 173.32 3cmp s TRP 31 N 0.36 2.02 -0.10 4.03 0.52 -0.61 -4.83 118.94 120.34 3cmp s TRP 31 Ca 0.46 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 56.07 3cmp s TRP 31 Cb -0.22 -1.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 3cmp s TRP 31 CO 0.27 0.05 0.29 0.71 0.02 0.00 0.00 176.95 178.29 3cmp s TYR 32 N -0.69 3.58 -0.96 -1.98 2.02 0.20 -1.03 117.35 118.49 3cmp s TYR 32 Ca 0.09 0.70 -0.22 0.00 -0.37 0.00 0.00 57.07 57.27 3cmp s TYR 32 Cb -0.09 -2.23 0.07 0.00 -0.40 0.00 0.00 41.96 39.31 3cmp s TYR 32 CO 0.01 0.49 1.35 0.08 -1.57 0.00 0.00 175.55 175.91 3cmp s VAL 33 N -0.38 4.08 -0.21 0.71 1.01 -0.41 -0.01 120.40 125.18 3cmp s VAL 33 Ca 0.18 -0.80 0.19 0.00 0.00 0.00 0.00 61.98 61.55 3cmp s VAL 33 Cb -0.14 -4.98 0.02 0.00 0.00 0.00 0.00 36.38 31.29 3cmp s VAL 33 CO 0.07 -1.83 1.17 1.62 0.00 0.00 0.00 175.10 176.13 3cmp h VAL 34 N 6.50 0.39 -3.65 2.92 3.04 -1.71 -3.40 116.25 120.35 3cmp h VAL 34 Ca 0.13 -1.65 -0.21 0.00 -1.01 0.00 0.00 66.70 63.97 3cmp h VAL 34 Cb 1.02 1.99 -0.26 0.00 -2.01 0.00 0.00 31.29 32.03 3cmp h VAL 34 CO 1.34 0.22 -0.65 -0.83 -1.01 0.00 0.00 177.57 176.64 3cmp s GLY 35 N -4.51 0.00 -0.04 3.17 0.00 -1.04 -3.67 107.32 101.24 3cmp s GLY 35 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3cmp s GLY 35 CO 0.77 0.00 -0.01 1.08 0.00 0.00 0.00 173.10 174.94 3cmp s LEU 36 N -0.25 1.04 -0.03 0.66 1.43 0.75 -0.16 118.68 122.13 3cmp s LEU 36 Ca -0.03 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3cmp s LEU 36 Cb -0.02 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.91 3cmp s LEU 36 CO 0.00 -0.11 0.06 0.00 0.23 0.00 0.00 176.35 176.53 3cmp s ALA 37 N 1.23 -0.07 -0.08 4.21 0.00 -0.40 -0.02 121.76 126.64 3cmp s ALA 37 Ca -0.07 0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.89 3cmp s ALA 37 Cb -0.13 -0.23 0.14 0.00 0.00 0.00 0.00 23.12 22.90 3cmp s ALA 37 CO -0.02 -0.09 1.40 0.20 0.00 0.00 0.00 175.76 177.25 3cmp s GLY 38 N 0.70 -0.47 0.24 0.00 0.00 -1.03 0.94 107.32 107.70 3cmp s GLY 38 Ca -0.06 0.94 0.25 0.00 0.00 0.00 0.00 44.72 45.86 3cmp s GLY 38 CO -0.02 0.18 1.76 3.45 0.00 0.00 0.00 173.10 178.47 3cmp h ASN 39 N 2.00 0.00 -0.39 1.64 -1.07 -1.80 -2.82 115.58 113.15 3cmp h ASN 39 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.06 3cmp h ASN 39 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 3cmp h ASN 39 CO 0.29 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.79 3cmp n ALA 40 N -1.81 2.35 -2.91 4.14 0.00 -1.26 -4.61 120.51 116.41 3cmp n ALA 40 Ca 0.04 -1.33 -0.34 0.00 0.00 0.00 0.00 53.44 51.81 3cmp n ALA 40 Cb 0.37 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 3cmp n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cmp s ILE 41 N -1.28 4.29 0.01 0.00 -1.09 -1.07 -5.11 121.20 116.97 3cmp s ILE 41 Ca 0.29 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 3cmp s ILE 41 Cb 0.17 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3cmp s ILE 41 CO 0.17 0.47 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.43 3cmp s LEU 42 N 0.45 2.10 -0.01 2.97 2.01 -1.26 -4.35 118.68 120.57 3cmp s LEU 42 Ca -0.00 -0.37 -0.30 0.00 0.01 0.00 0.00 54.13 53.46 3cmp s LEU 42 Cb -0.13 -0.76 -0.04 0.00 0.01 0.00 0.00 46.19 45.27 3cmp s LEU 42 CO 0.02 0.14 1.11 -0.60 1.01 0.00 0.00 176.35 178.02 3cmp s ARG 43 N -0.73 4.44 -0.37 1.70 3.52 -0.44 -4.96 118.95 122.12 3cmp s ARG 43 Ca 0.05 1.59 0.02 0.00 -0.13 0.00 0.00 55.73 57.26 3cmp s ARG 43 Cb -0.07 -3.47 0.11 0.00 -1.56 0.00 0.00 34.95 29.96 3cmp s ARG 43 CO 0.00 -0.26 0.13 -1.83 -0.81 0.00 0.00 175.30 172.53 3cmp s GLU 44 N 1.52 1.18 0.46 5.12 4.04 -1.26 -4.99 118.70 124.77 3cmp s GLU 44 Ca 0.55 -1.66 0.23 0.00 0.04 0.00 0.00 54.97 54.12 3cmp s GLU 44 Cb -0.24 -2.55 1.10 0.00 0.02 0.00 0.00 34.13 32.47 3cmp s GLU 44 CO 0.25 -1.02 1.93 -0.44 -1.84 0.00 0.00 175.26 174.14 3cmp h ASP 45 N 7.51 0.00 -0.10 0.83 3.32 -1.99 -2.12 116.42 123.86 3cmp h ASP 45 Ca -0.08 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3cmp h ASP 45 Cb 0.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3cmp h ASP 45 CO 0.51 0.22 -0.15 0.07 -1.72 0.00 0.00 179.24 178.17 3cmp h LYS 46 N 0.00 0.28 -2.64 3.56 5.09 -2.04 -3.39 116.57 117.43 3cmp h LYS 46 Ca -0.00 -0.16 -0.60 0.00 0.09 0.00 0.00 60.65 59.97 3cmp h LYS 46 Cb 0.54 0.01 -0.40 0.00 0.10 0.00 0.00 32.23 32.49 3cmp h LYS 46 CO 0.03 0.73 -0.82 -3.47 -2.09 0.00 0.00 179.45 173.83 3cmp n ASP 47 N -4.59 0.91 -4.77 7.07 2.03 -1.15 -5.12 116.55 110.93 3cmp n ASP 47 Ca -0.07 -2.71 -0.40 0.00 0.52 0.00 0.00 54.79 52.13 3cmp n ASP 47 Cb 0.37 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.14 3cmp n ASP 47 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3cmp s PRO 48 N -0.56 3.81 0.19 -0.67 0.02 -0.81 -4.75 135.00 132.22 3cmp s PRO 48 Ca 0.30 2.40 -0.33 0.00 0.02 0.00 0.00 61.00 63.39 3cmp s PRO 48 Cb 0.01 -2.73 -0.13 0.00 0.02 0.00 0.00 34.50 31.67 3cmp s PRO 48 CO -0.19 -0.71 1.57 0.94 -0.33 0.00 0.00 177.00 178.28 3cmp n GLN 49 N -0.02 2.25 -3.29 5.54 -0.06 -1.26 -4.90 117.38 115.64 3cmp n GLN 49 Ca 0.04 0.81 -0.37 0.00 -2.00 0.00 0.00 57.00 55.48 3cmp n GLN 49 Cb 0.42 -2.57 -0.06 0.00 -4.06 0.00 0.00 30.24 23.96 3cmp n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3cmp s LYS 50 N 0.68 4.10 0.45 3.69 1.02 -1.26 -1.54 119.74 126.88 3cmp s LYS 50 Ca 0.76 0.64 -0.25 0.00 0.02 0.00 0.00 55.97 57.14 3cmp s LYS 50 Cb -0.64 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 3cmp s LYS 50 CO 0.39 0.53 1.36 1.41 -0.92 0.00 0.00 175.35 178.12 3cmp s MET 51 N -1.63 3.70 0.11 1.68 -2.45 -0.36 -4.75 119.30 115.61 3cmp s MET 51 Ca 0.35 2.26 0.01 0.00 -1.25 0.00 0.00 55.69 57.06 3cmp s MET 51 Cb -0.17 -2.61 -0.04 0.00 1.25 0.00 0.00 34.83 33.26 3cmp s MET 51 CO 0.19 -0.75 -0.04 1.52 1.05 0.00 0.00 175.02 177.00 3cmp s TYR 52 N -1.26 0.92 0.12 4.11 1.13 -1.26 -4.63 117.35 116.48 3cmp s TYR 52 Ca 0.61 -0.98 0.08 0.00 -1.41 0.00 0.00 57.07 55.37 3cmp s TYR 52 Cb -0.40 -0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 3cmp s TYR 52 CO 0.51 -0.22 -0.11 0.00 -2.51 0.00 0.00 175.55 173.23 3cmp s ALA 53 N -3.70 2.92 -0.11 9.51 0.00 -0.76 -1.29 121.76 128.34 3cmp s ALA 53 Ca 0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 3cmp s ALA 53 Cb 0.06 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3cmp s ALA 53 CO -0.03 0.60 -0.01 0.99 0.00 0.00 0.00 175.76 177.32 3cmp s THR 54 N -1.30 0.54 -0.21 0.00 2.01 -0.19 -0.48 115.64 116.02 3cmp s THR 54 Ca 0.22 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 3cmp s THR 54 Cb -0.11 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3cmp s THR 54 CO 0.14 0.18 0.22 -0.63 -0.69 0.00 0.00 174.62 173.84 3cmp s ILE 55 N 1.89 5.33 -0.17 1.82 1.09 0.15 -1.58 121.20 129.74 3cmp s ILE 55 Ca 0.04 0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.89 3cmp s ILE 55 Cb -0.13 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 3cmp s ILE 55 CO -0.06 0.36 -0.01 -0.31 -0.10 0.00 0.00 174.94 174.82 3cmp s TYR 56 N 0.81 3.07 -0.05 3.97 2.02 -0.40 -1.68 117.35 125.10 3cmp s TYR 56 Ca 0.12 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3cmp s TYR 56 Cb -0.13 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3cmp s TYR 56 CO 0.03 -0.04 0.04 -1.83 -1.57 0.00 0.00 175.55 172.19 3cmp s GLU 57 N 0.49 0.09 0.05 -0.62 -1.05 -1.22 0.72 118.70 117.18 3cmp s GLU 57 Ca -0.02 0.29 -0.31 0.00 -0.15 0.00 0.00 54.97 54.79 3cmp s GLU 57 Cb -0.14 -0.60 -0.06 0.00 -0.44 0.00 0.00 34.13 32.89 3cmp s GLU 57 CO 0.02 -0.31 1.34 -0.51 0.95 0.00 0.00 175.26 176.76 3cmp s LEU 58 N 2.01 4.34 0.90 1.83 1.43 -1.26 -1.56 118.68 126.36 3cmp s LEU 58 Ca 0.03 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 3cmp s LEU 58 Cb -0.12 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.72 3cmp s LEU 58 CO -0.03 -0.63 1.23 -0.54 0.23 0.00 0.00 176.35 176.60 3cmp s LYS 59 N 1.67 0.85 0.22 1.70 1.02 -0.19 -4.94 119.74 120.06 3cmp s LYS 59 Ca 0.62 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 3cmp s LYS 59 Cb -0.32 -2.01 0.20 0.00 -0.52 0.00 0.00 37.83 35.18 3cmp s LYS 59 CO 0.28 -2.18 1.87 1.05 -0.92 0.00 0.00 175.35 175.45 3cmp h GLU 60 N -1.32 0.95 0.00 1.68 4.11 -1.96 -2.29 114.58 115.75 3cmp h GLU 60 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3cmp h GLU 60 Cb 1.24 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3cmp h GLU 60 CO 0.35 0.63 0.00 -0.40 0.07 0.00 0.00 179.01 179.66 3cmp n ASP 61 N -4.59 0.00 -0.93 3.06 5.68 -1.26 -4.88 116.55 113.63 3cmp n ASP 61 Ca 0.08 -1.25 -0.11 0.00 -0.50 0.00 0.00 54.79 53.02 3cmp n ASP 61 Cb 0.06 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 3cmp n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3cmp n LYS 62 N -0.79 -0.78 -3.46 0.11 4.76 -0.86 -5.01 118.16 112.13 3cmp n LYS 62 Ca 0.12 0.79 -0.26 0.00 -2.87 0.00 0.00 58.31 56.09 3cmp n LYS 62 Cb 0.06 -4.78 -0.02 0.00 -1.84 0.00 0.00 35.03 28.45 3cmp n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3cmp s SER 63 N -2.79 6.35 0.09 4.39 0.01 -1.26 -4.60 113.70 115.88 3cmp s SER 63 Ca 0.00 0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.64 3cmp s SER 63 Cb 0.00 -2.05 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 3cmp s SER 63 CO 0.00 -0.21 0.42 -0.31 0.41 0.00 0.00 173.24 173.55 3cmp s TYR 64 N -2.15 3.59 -0.63 2.43 1.51 -0.64 -1.03 117.35 120.43 3cmp s TYR 64 Ca 0.40 0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 57.12 3cmp s TYR 64 Cb -0.10 -2.19 0.14 0.00 -0.11 0.00 0.00 41.96 39.70 3cmp s TYR 64 CO 0.33 0.51 0.63 -0.80 -1.11 0.00 0.00 175.55 175.11 3cmp s ASN 65 N -1.74 6.32 -0.50 2.29 0.02 -0.60 -2.41 114.94 118.31 3cmp s ASN 65 Ca 0.33 -1.89 -0.21 0.00 -1.02 0.00 0.00 52.86 50.07 3cmp s ASN 65 Cb -0.14 -2.24 0.04 0.00 0.02 0.00 0.00 41.25 38.93 3cmp s ASN 65 CO 0.18 -0.87 0.74 -0.69 0.02 0.00 0.00 177.10 176.48 3cmp s VAL 66 N 1.62 4.70 -0.29 1.60 1.01 0.72 -3.37 120.40 126.39 3cmp s VAL 66 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3cmp s VAL 66 Cb -0.24 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.79 3cmp s VAL 66 CO 0.01 -0.85 0.07 -0.89 0.00 0.00 0.00 175.10 173.44 3cmp s THR 67 N 3.13 3.93 -0.02 3.92 2.01 -0.68 -1.33 115.64 126.60 3cmp s THR 67 Ca 0.23 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 3cmp s THR 67 Cb -0.15 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3cmp s THR 67 CO 0.16 0.13 0.37 -0.44 -0.69 0.00 0.00 174.62 174.15 3cmp s SER 68 N 1.50 6.74 -0.14 3.53 0.01 0.41 -0.67 113.70 125.09 3cmp s SER 68 Ca 0.03 0.88 -0.00 0.00 1.31 0.00 0.00 55.95 58.17 3cmp s SER 68 Cb -0.17 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 63.87 3cmp s SER 68 CO 0.02 0.32 -0.07 0.54 0.41 0.00 0.00 173.24 174.46 3cmp s VAL 69 N -0.98 1.08 0.13 3.43 0.11 0.37 -0.51 120.40 124.04 3cmp s VAL 69 Ca 0.22 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 3cmp s VAL 69 Cb -0.16 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 3cmp s VAL 69 CO 0.12 0.28 -0.15 -1.48 -3.33 0.00 0.00 175.10 170.54 3cmp s LEU 70 N 1.67 2.42 -0.46 2.54 2.34 -1.11 -1.82 118.68 124.26 3cmp s LEU 70 Ca 0.03 -0.83 -0.17 0.00 0.06 0.00 0.00 54.13 53.22 3cmp s LEU 70 Cb -0.14 -0.61 0.05 0.00 -0.56 0.00 0.00 46.19 44.93 3cmp s LEU 70 CO -0.08 -0.12 0.43 0.12 -1.06 0.00 0.00 176.35 175.64 3cmp s PHE 71 N -2.17 3.19 -0.01 3.48 5.36 -1.26 -2.25 117.98 124.32 3cmp s PHE 71 Ca 0.11 -0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3cmp s PHE 71 Cb -0.05 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 3cmp s PHE 71 CO 0.04 -0.78 0.02 1.03 -1.46 0.00 0.00 175.22 174.07 3cmp s ARG 72 N 1.95 0.05 -1.46 10.12 3.00 -0.84 -4.89 118.95 126.89 3cmp s ARG 72 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 55.73 55.68 3cmp s ARG 72 Cb -0.21 0.02 0.06 0.00 0.00 0.00 0.00 34.95 34.82 3cmp s ARG 72 CO 0.10 -0.01 0.79 0.36 0.00 0.00 0.00 175.30 176.54 3cmp n LYS 73 N 2.93 -5.07 -0.85 3.54 -0.00 -1.26 -1.34 118.16 116.11 3cmp n LYS 73 Ca -0.13 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 3cmp n LYS 73 Cb 0.59 -5.51 0.00 0.00 -0.00 0.00 0.00 35.03 30.11 3cmp n LYS 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3cmp n LYS 74 N -4.33 -0.42 -3.47 -1.58 0.00 -1.26 -4.96 118.16 102.14 3cmp n LYS 74 Ca -0.01 0.11 -0.17 0.00 0.00 0.00 0.00 58.31 58.24 3cmp n LYS 74 Cb 0.55 -3.73 -0.04 0.00 0.00 0.00 0.00 35.03 31.81 3cmp n LYS 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3cmp n LYS 75 N -1.57 1.00 -3.95 1.64 5.02 -0.45 -5.14 118.16 114.71 3cmp n LYS 75 Ca 0.00 -2.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.92 3cmp n LYS 75 Cb 0.11 0.84 -0.16 0.00 -0.02 0.00 0.00 35.03 35.80 3cmp n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cmp s ASP 77 N 1.41 6.98 -0.31 0.00 -0.00 -0.95 -4.95 116.67 118.85 3cmp s ASP 77 Ca -0.04 1.16 -0.02 0.00 -0.00 0.00 0.00 52.55 53.65 3cmp s ASP 77 Cb -0.18 -2.35 0.05 0.00 -0.00 0.00 0.00 42.92 40.45 3cmp s ASP 77 CO -0.07 0.19 0.01 -0.31 -0.00 0.00 0.00 175.17 175.00 3cmp s TYR 78 N -0.62 3.27 -0.47 4.23 2.02 -1.26 -2.74 117.35 121.78 3cmp s TYR 78 Ca 0.29 -1.86 -0.10 0.00 -0.37 0.00 0.00 57.07 55.03 3cmp s TYR 78 Cb -0.18 -2.16 0.12 0.00 -0.40 0.00 0.00 41.96 39.34 3cmp s TYR 78 CO 0.17 -0.80 0.35 -0.46 -1.57 0.00 0.00 175.55 173.24 3cmp s TRP 79 N 1.26 3.41 -0.04 2.71 -0.00 0.34 -4.95 118.94 121.67 3cmp s TRP 79 Ca -0.05 -1.81 -0.02 0.00 -0.00 0.00 0.00 56.10 54.23 3cmp s TRP 79 Cb -0.20 -3.47 -0.04 0.00 -0.00 0.00 0.00 33.47 29.76 3cmp s TRP 79 CO -0.01 -0.98 0.10 0.42 -0.00 0.00 0.00 176.95 176.48 3cmp s ILE 80 N 1.38 4.96 0.16 5.86 1.09 -1.26 -0.44 121.20 132.96 3cmp s ILE 80 Ca 0.05 -0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 59.14 3cmp s ILE 80 Cb -0.26 -3.24 0.06 0.00 -1.06 0.00 0.00 42.46 37.96 3cmp s ILE 80 CO -0.00 0.43 0.86 0.00 -0.10 0.00 0.00 174.94 176.13 3cmp s ARG 81 N -1.54 1.30 -0.12 2.79 1.70 -0.44 -5.01 118.95 117.64 3cmp s ARG 81 Ca 0.21 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.82 3cmp s ARG 81 Cb -0.12 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3cmp s ARG 81 CO 0.12 -0.59 -0.22 0.99 -1.08 0.00 0.00 175.30 174.52 3cmp s THR 82 N -3.46 1.98 -0.37 4.99 2.01 -1.26 -0.20 115.64 119.33 3cmp s THR 82 Ca 0.10 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 3cmp s THR 82 Cb -0.02 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.75 3cmp s THR 82 CO 0.01 0.54 0.26 -0.36 -0.69 0.00 0.00 174.62 174.38 3cmp s PHE 83 N 0.63 3.23 0.00 4.92 2.99 -1.01 -0.20 117.98 128.54 3cmp s PHE 83 Ca -0.12 -0.37 -0.20 0.00 0.00 0.00 0.00 56.93 56.24 3cmp s PHE 83 Cb -0.16 -2.52 -0.06 0.00 0.00 0.00 0.00 43.02 40.28 3cmp s PHE 83 CO 0.03 -0.45 0.57 0.08 -0.00 0.00 0.00 175.22 175.44 3cmp s VAL 84 N 1.70 4.90 0.24 -0.44 1.01 0.12 -1.62 120.40 126.30 3cmp s VAL 84 Ca 0.06 1.19 -0.32 0.00 0.00 0.00 0.00 61.98 62.91 3cmp s VAL 84 Cb -0.18 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 3cmp s VAL 84 CO 0.10 0.45 1.55 -2.65 0.00 0.00 0.00 175.10 174.56 3cmp n PRO 85 N 2.51 2.39 0.00 2.72 -0.02 -1.26 -0.17 135.00 141.17 3cmp n PRO 85 Ca -0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3cmp n PRO 85 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3cmp n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmp n GLY 86 N 2.72 1.78 0.28 -1.23 0.00 0.07 -4.71 105.19 104.09 3cmp n GLY 86 Ca 0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 3cmp n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cmp h SER 87 N 0.00 0.76 -3.56 1.61 4.64 -1.95 -3.45 113.55 111.61 3cmp h SER 87 Ca 0.00 -0.20 -0.39 0.00 -0.47 0.00 0.00 61.79 60.72 3cmp h SER 87 Cb 0.00 -0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 61.74 3cmp h SER 87 CO 0.00 0.86 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.99 3cmp s GLN 88 N -4.90 1.20 0.18 4.77 -0.21 -1.26 -5.07 119.66 114.37 3cmp s GLN 88 Ca -0.09 -1.52 -0.32 0.00 0.02 0.00 0.00 55.36 53.45 3cmp s GLN 88 Cb 0.14 -0.89 -0.11 0.00 1.00 0.00 0.00 33.01 33.15 3cmp s GLN 88 CO 0.82 0.14 1.64 -2.14 -2.12 0.00 0.00 175.29 173.62 3cmp s PRO 89 N -3.68 4.18 0.00 2.91 0.02 -1.26 -1.74 135.00 135.43 3cmp s PRO 89 Ca 0.20 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3cmp s PRO 89 Cb 0.01 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3cmp s PRO 89 CO 0.04 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3cmp n GLY 90 N 3.86 2.45 3.83 0.52 0.00 -1.26 -4.67 105.19 109.93 3cmp n GLY 90 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3cmp n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cmp s GLU 91 N -0.03 4.05 0.07 1.61 2.02 -0.71 -2.02 118.70 123.69 3cmp s GLU 91 Ca 0.00 0.58 -0.04 0.00 0.02 0.00 0.00 54.97 55.53 3cmp s GLU 91 Cb 0.00 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3cmp s GLU 91 CO 0.00 0.49 0.06 -0.06 0.02 0.00 0.00 175.26 175.78 3cmp s PHE 92 N -1.42 0.40 0.23 1.61 0.40 -0.12 -0.75 117.98 118.33 3cmp s PHE 92 Ca 0.37 -0.89 0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3cmp s PHE 92 Cb -0.16 -0.26 -0.05 0.00 0.51 0.00 0.00 43.02 43.06 3cmp s PHE 92 CO 0.19 -0.46 -0.16 -0.08 0.70 0.00 0.00 175.22 175.42 3cmp s THR 93 N -3.91 1.95 -0.08 0.64 -1.32 0.77 -1.47 115.64 112.22 3cmp s THR 93 Ca 0.08 -2.27 -0.29 0.00 -1.21 0.00 0.00 61.69 58.00 3cmp s THR 93 Cb 0.07 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 3cmp s THR 93 CO -0.09 -0.53 0.98 -0.22 -2.21 0.00 0.00 174.62 172.55 3cmp s LEU 94 N -3.38 4.28 0.45 9.08 2.96 -1.24 0.14 118.68 130.97 3cmp s LEU 94 Ca 0.25 1.54 -0.22 0.00 -0.22 0.00 0.00 54.13 55.48 3cmp s LEU 94 Cb -0.02 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 3cmp s LEU 94 CO 0.09 -0.38 1.03 -0.83 -1.32 0.00 0.00 176.35 174.94 3cmp s GLY 95 N 1.07 2.58 -1.25 7.98 0.00 0.72 -4.03 107.32 114.39 3cmp s GLY 95 Ca 0.48 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.78 3cmp s GLY 95 CO 0.20 0.98 0.72 -2.01 0.00 0.00 0.00 173.10 172.99 3cmp n ASN 96 N -0.59 -2.51 0.23 1.64 5.15 -1.26 -4.64 115.26 113.28 3cmp n ASN 96 Ca 0.07 -0.86 0.08 0.00 -0.60 0.00 0.00 54.58 53.27 3cmp n ASN 96 Cb 0.52 -3.98 0.57 0.00 -0.53 0.00 0.00 39.78 36.36 3cmp n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3cmp h ILE 97 N -1.79 0.93 0.00 -1.44 2.10 -1.95 -2.82 117.51 112.54 3cmp h ILE 97 Ca -0.62 -0.68 -0.01 0.00 1.08 0.00 0.00 64.86 64.63 3cmp h ILE 97 Cb 1.35 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 38.47 3cmp h ILE 97 CO 0.54 0.18 -0.05 0.11 -1.08 0.00 0.00 178.15 177.85 3cmp h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.90 -2.45 116.57 115.98 3cmp h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cmp h LYS 98 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3cmp h LYS 98 CO 0.02 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 3cmp n SER 99 N -3.87 0.00 -4.21 0.86 3.41 -1.06 -4.60 113.62 104.15 3cmp n SER 99 Ca -0.03 -0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 57.66 3cmp n SER 99 Cb 0.14 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3cmp n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3cmp s TYR 100 N -2.22 3.36 -0.25 7.33 1.51 -0.92 -5.07 117.35 121.09 3cmp s TYR 100 Ca 0.34 -1.79 -0.36 0.00 -1.01 0.00 0.00 57.07 54.26 3cmp s TYR 100 Cb 0.18 -2.66 -0.12 0.00 -0.11 0.00 0.00 41.96 39.25 3cmp s TYR 100 CO 0.35 -0.84 2.00 -2.30 -1.11 0.00 0.00 175.55 173.65 3cmp n PRO 101 N 4.75 1.46 0.00 -1.71 -0.02 -1.26 -2.06 135.00 136.15 3cmp n PRO 101 Ca -0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3cmp n PRO 101 Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3cmp n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmp n GLY 102 N 5.35 3.21 3.62 -1.23 0.00 -1.26 -4.86 105.19 110.02 3cmp n GLY 102 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 3cmp n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cmp s LEU 103 N 0.00 3.78 -0.01 0.99 2.96 -0.88 -2.37 118.68 123.16 3cmp s LEU 103 Ca 0.00 1.23 0.15 0.00 -0.22 0.00 0.00 54.13 55.30 3cmp s LEU 103 Cb 0.00 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.97 3cmp s LEU 103 CO 0.00 -1.27 0.58 0.35 -1.32 0.00 0.00 176.35 174.69 3cmp n THR 104 N 6.59 0.00 -3.56 3.68 -2.24 -0.38 -4.79 114.28 113.57 3cmp n THR 104 Ca 0.17 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 3cmp n THR 104 Cb 0.47 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3cmp n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cmp s SER 105 N -2.77 -0.62 -0.27 3.42 0.15 -1.18 -4.98 113.70 107.46 3cmp s SER 105 Ca 0.03 0.75 -0.10 0.00 0.70 0.00 0.00 55.95 57.33 3cmp s SER 105 Cb 0.11 0.64 0.11 0.00 -1.71 0.00 0.00 66.02 65.18 3cmp s SER 105 CO 0.64 -0.54 0.58 -0.47 1.20 0.00 0.00 173.24 174.65 3cmp s TYR 106 N -0.97 -1.16 -0.02 3.44 6.14 -1.26 -1.31 117.35 122.22 3cmp s TYR 106 Ca -0.10 2.07 0.06 0.00 0.64 0.00 0.00 57.07 59.75 3cmp s TYR 106 Cb -0.01 0.64 -0.02 0.00 0.42 0.00 0.00 41.96 42.99 3cmp s TYR 106 CO 0.08 -0.60 -0.21 -1.17 0.64 0.00 0.00 175.55 174.29 3cmp s LEU 107 N 2.69 2.04 -0.03 6.97 2.96 0.13 -3.69 118.68 129.74 3cmp s LEU 107 Ca -0.05 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3cmp s LEU 107 Cb -0.11 -1.10 -0.00 0.00 0.50 0.00 0.00 46.19 45.47 3cmp s LEU 107 CO -0.17 0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.28 3cmp s VAL 108 N -0.46 1.23 -0.10 1.68 1.01 -0.54 -0.59 120.40 122.63 3cmp s VAL 108 Ca 0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3cmp s VAL 108 Cb -0.09 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.29 3cmp s VAL 108 CO -0.00 0.36 0.14 -0.60 0.00 0.00 0.00 175.10 174.99 3cmp s ARG 109 N -0.04 0.04 -0.48 2.72 3.52 0.11 -0.95 118.95 123.87 3cmp s ARG 109 Ca -0.01 0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.69 3cmp s ARG 109 Cb -0.09 -0.68 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 3cmp s ARG 109 CO 0.01 -0.41 1.56 0.08 -0.81 0.00 0.00 175.30 175.72 3cmp s VAL 110 N 2.25 3.69 -0.03 7.11 1.01 -0.86 0.09 120.40 133.67 3cmp s VAL 110 Ca 0.04 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 3cmp s VAL 110 Cb -0.13 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 3cmp s VAL 110 CO -0.07 -0.87 1.08 0.58 0.00 0.00 0.00 175.10 175.83 3cmp h VAL 111 N 6.56 0.99 -2.26 2.92 2.07 -0.69 -0.60 116.25 125.25 3cmp h VAL 111 Ca -0.28 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 3cmp h VAL 111 Cb 1.12 1.58 -0.19 0.00 -1.52 0.00 0.00 31.29 32.28 3cmp h VAL 111 CO 1.13 0.22 0.07 -0.94 0.02 0.00 0.00 177.57 178.07 3cmp s SER 112 N -5.45 -0.55 -0.16 0.57 1.04 -1.10 -1.85 113.70 106.19 3cmp s SER 112 Ca -0.14 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.60 3cmp s SER 112 Cb 0.01 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.75 3cmp s SER 112 CO 0.56 -0.55 0.85 0.28 0.98 0.00 0.00 173.24 175.35 3cmp s THR 113 N -1.15 0.00 -1.37 2.02 -1.32 -1.26 -0.17 115.64 112.39 3cmp s THR 113 Ca -0.11 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.53 3cmp s THR 113 Cb -0.01 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.43 3cmp s THR 113 CO 0.08 0.00 1.38 -0.46 -2.21 0.00 0.00 174.62 173.41 3cmp n ASN 114 N 1.38 3.37 0.00 8.08 6.94 -1.07 -5.01 115.26 128.95 3cmp n ASN 114 Ca -0.14 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 3cmp n ASN 114 Cb 0.57 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 3cmp n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3cmp n TYR 115 N 1.00 0.00 0.37 -2.53 4.01 -1.25 -4.42 117.16 114.35 3cmp n TYR 115 Ca 0.17 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.95 3cmp n TYR 115 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.55 3cmp n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3cmp n ASN 116 N 0.78 1.27 0.00 7.72 0.23 -1.26 -4.83 115.26 119.17 3cmp n ASN 116 Ca 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 3cmp n ASN 116 Cb 0.00 0.35 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3cmp n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cmp n GLN 117 N -0.08 0.00 -3.94 -3.83 6.02 -1.26 -4.79 117.38 109.50 3cmp n GLN 117 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 3cmp n GLN 117 Cb 0.19 -0.24 -0.06 0.00 1.02 0.00 0.00 30.24 31.14 3cmp n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3cmp s HIS 118 N -1.84 0.33 -0.21 1.08 -3.43 -1.26 -0.90 115.29 109.06 3cmp s HIS 118 Ca 0.00 -0.68 -0.27 0.00 -0.80 0.00 0.00 55.06 53.30 3cmp s HIS 118 Cb 0.00 0.04 0.10 0.00 -1.43 0.00 0.00 32.58 31.29 3cmp s HIS 118 CO 0.00 -0.79 0.86 0.00 -2.00 0.00 0.00 174.74 172.81 3cmp s ALA 119 N -3.96 -1.87 -0.15 -1.38 0.00 -0.59 -2.58 121.76 111.22 3cmp s ALA 119 Ca 0.17 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.89 3cmp s ALA 119 Cb 0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 3cmp s ALA 119 CO 0.01 -0.31 -0.16 -1.64 0.00 0.00 0.00 175.76 173.66 3cmp s MET 120 N -0.28 3.19 -0.10 0.00 -1.94 0.76 0.41 119.30 121.33 3cmp s MET 120 Ca -0.02 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 3cmp s MET 120 Cb -0.03 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.22 3cmp s MET 120 CO 0.01 0.01 -0.20 0.08 -0.01 0.00 0.00 175.02 174.91 3cmp s VAL 121 N 0.81 1.83 -0.22 -6.03 1.01 -0.92 -0.09 120.40 116.79 3cmp s VAL 121 Ca -0.06 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3cmp s VAL 121 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3cmp s VAL 121 CO -0.00 0.51 0.30 0.12 0.00 0.00 0.00 175.10 176.02 3cmp s PHE 122 N 0.58 3.34 0.14 5.22 2.19 0.11 -1.75 117.98 127.81 3cmp s PHE 122 Ca -0.14 0.44 0.08 0.00 0.33 0.00 0.00 56.93 57.64 3cmp s PHE 122 Cb -0.17 -2.42 -0.04 0.00 -1.31 0.00 0.00 43.02 39.08 3cmp s PHE 122 CO 0.04 0.01 -0.13 -0.06 1.83 0.00 0.00 175.22 176.91 3cmp s PHE 123 N 1.26 2.62 -0.21 10.12 0.08 0.80 0.07 117.98 132.72 3cmp s PHE 123 Ca 0.14 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 3cmp s PHE 123 Cb -0.14 -1.35 0.09 0.00 -0.57 0.00 0.00 43.02 41.06 3cmp s PHE 123 CO 0.07 0.44 0.43 0.21 -0.10 0.00 0.00 175.22 176.27 3cmp s LYS 124 N -2.39 0.34 -0.03 0.44 2.20 0.25 -1.31 119.74 119.23 3cmp s LYS 124 Ca 0.21 1.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.90 3cmp s LYS 124 Cb -0.10 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 3cmp s LYS 124 CO 0.13 -0.26 -0.12 0.00 -0.36 0.00 0.00 175.35 174.74 3cmp s ALA 125 N 2.63 1.13 -0.42 3.13 0.00 0.56 0.17 121.76 128.96 3cmp s ALA 125 Ca -0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 3cmp s ALA 125 Cb -0.12 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.68 3cmp s ALA 125 CO -0.13 0.19 0.26 0.08 0.00 0.00 0.00 175.76 176.15 3cmp s VAL 126 N 0.18 4.17 -0.07 0.00 1.01 -0.42 -0.31 120.40 124.96 3cmp s VAL 126 Ca -0.04 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.53 3cmp s VAL 126 Cb -0.10 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3cmp s VAL 126 CO 0.01 -0.53 -0.21 -0.55 0.00 0.00 0.00 175.10 173.82 3cmp s SER 127 N 2.14 2.73 -1.54 3.32 0.15 -0.84 -1.25 113.70 118.40 3cmp s SER 127 Ca 0.03 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.17 3cmp s SER 127 Cb -0.23 -1.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.05 3cmp s SER 127 CO 0.02 0.16 0.39 1.67 1.20 0.00 0.00 173.24 176.68 3cmp n GLN 128 N 3.35 -3.69 -0.68 5.44 -0.06 -1.00 -0.91 117.38 119.83 3cmp n GLN 128 Ca -0.19 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 3cmp n GLN 128 Cb 0.53 -5.63 0.00 0.00 -4.06 0.00 0.00 30.24 21.08 3cmp n GLN 128 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3cmp n ASN 129 N -2.31 -0.46 -4.69 1.69 4.13 -1.26 -4.98 115.26 107.38 3cmp n ASN 129 Ca -0.14 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.73 3cmp n ASN 129 Cb 0.63 -1.82 -0.06 0.00 -1.54 0.00 0.00 39.78 36.98 3cmp n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3cmp s ARG 130 N -0.76 4.27 -0.52 3.52 0.52 -0.08 -5.03 118.95 120.87 3cmp s ARG 130 Ca 0.00 0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 55.48 3cmp s ARG 130 Cb 0.00 -3.50 0.04 0.00 0.52 0.00 0.00 34.95 32.01 3cmp s ARG 130 CO 0.00 -0.02 0.84 -2.00 0.02 0.00 0.00 175.30 174.14 3cmp s GLU 131 N 1.21 3.31 -0.01 3.54 2.12 -1.26 -1.99 118.70 125.61 3cmp s GLU 131 Ca 0.27 -0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 3cmp s GLU 131 Cb -0.16 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 3cmp s GLU 131 CO 0.11 -1.34 0.14 0.71 -0.54 0.00 0.00 175.26 174.34 3cmp s TYR 132 N 3.52 3.45 0.00 5.30 1.51 0.58 -4.62 117.35 127.09 3cmp s TYR 132 Ca 0.27 0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 56.57 3cmp s TYR 132 Cb -0.14 -1.79 -0.00 0.00 -0.11 0.00 0.00 41.96 39.92 3cmp s TYR 132 CO 0.19 0.61 0.12 -0.59 -1.11 0.00 0.00 175.55 174.77 3cmp s PHE 133 N -1.28 0.06 0.07 2.71 -0.71 -1.26 -0.32 117.98 117.25 3cmp s PHE 133 Ca 0.26 -0.17 -0.12 0.00 -1.04 0.00 0.00 56.93 55.85 3cmp s PHE 133 Cb -0.12 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 3cmp s PHE 133 CO 0.17 -0.28 0.28 -1.59 -1.34 0.00 0.00 175.22 172.46 3cmp s LYS 134 N -1.38 0.85 -0.14 1.99 -2.85 -0.42 -2.38 119.74 115.40 3cmp s LYS 134 Ca -0.15 -0.67 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 3cmp s LYS 134 Cb -0.08 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 3cmp s LYS 134 CO 0.01 -0.28 -0.16 0.42 0.10 0.00 0.00 175.35 175.44 3cmp s ILE 135 N -3.10 1.67 -0.13 3.79 1.09 0.27 -0.14 121.20 124.65 3cmp s ILE 135 Ca -0.01 -0.72 -0.05 0.00 -1.10 0.00 0.00 60.65 58.77 3cmp s ILE 135 Cb 0.01 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.84 3cmp s ILE 135 CO -0.07 0.48 0.06 0.42 -0.10 0.00 0.00 174.94 175.73 3cmp s THR 136 N 1.19 4.79 -0.66 2.92 -4.23 -0.72 -1.27 115.64 117.66 3cmp s THR 136 Ca -0.01 -0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 3cmp s THR 136 Cb -0.14 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.77 3cmp s THR 136 CO -0.06 0.56 0.66 -0.22 -0.54 0.00 0.00 174.62 175.02 3cmp s LEU 137 N -0.49 6.12 0.20 4.79 1.98 0.78 -2.18 118.68 129.89 3cmp s LEU 137 Ca 0.10 -2.00 -0.30 0.00 -2.89 0.00 0.00 54.13 49.04 3cmp s LEU 137 Cb -0.12 -2.24 -0.08 0.00 0.66 0.00 0.00 46.19 44.41 3cmp s LEU 137 CO 0.02 -0.84 1.00 -0.31 -1.89 0.00 0.00 176.35 174.33 3cmp s TYR 138 N 1.47 3.82 -0.00 5.38 2.02 0.17 -1.94 117.35 128.25 3cmp s TYR 138 Ca 0.11 1.80 0.05 0.00 -0.37 0.00 0.00 57.07 58.66 3cmp s TYR 138 Cb -0.21 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.24 3cmp s TYR 138 CO -0.01 0.06 -0.16 0.20 -1.57 0.00 0.00 175.55 174.08 3cmp s GLY 139 N -0.67 0.79 0.14 0.71 0.00 0.98 -1.55 107.32 107.72 3cmp s GLY 139 Ca 0.44 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 3cmp s GLY 139 CO 0.33 -0.60 1.33 -0.09 0.00 0.00 0.00 173.10 174.07 3cmp h ARG 140 N 5.63 0.37 -6.33 2.90 9.65 -1.31 0.57 114.38 125.86 3cmp h ARG 140 Ca -0.36 -0.39 -0.48 0.00 -1.10 0.00 0.00 59.98 57.65 3cmp h ARG 140 Cb 1.16 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3cmp h ARG 140 CO 0.48 1.06 -0.27 0.95 2.80 0.00 0.00 179.97 184.99 3cmp s THR 141 N -3.29 2.55 0.19 0.20 -4.23 -1.26 -4.69 115.64 105.11 3cmp s THR 141 Ca -0.05 -1.18 0.14 0.00 -1.18 0.00 0.00 61.69 59.42 3cmp s THR 141 Cb 0.09 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3cmp s THR 141 CO 0.86 0.00 1.63 0.11 -0.54 0.00 0.00 174.62 176.68 3cmp h LYS 142 N 0.70 0.00 -6.07 3.99 1.57 -1.96 -3.43 116.57 111.37 3cmp h LYS 142 Ca -0.38 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.75 3cmp h LYS 142 Cb 1.28 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 3cmp h LYS 142 CO 0.50 0.54 -0.59 -1.21 -0.57 0.00 0.00 179.45 178.12 3cmp s GLU 143 N -3.50 3.00 0.13 3.15 0.41 -1.26 -4.82 118.70 115.81 3cmp s GLU 143 Ca -0.00 -0.55 0.01 0.00 -0.41 0.00 0.00 54.97 54.01 3cmp s GLU 143 Cb 0.11 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 3cmp s GLU 143 CO 0.73 0.62 -0.00 -0.51 -0.49 0.00 0.00 175.26 175.61 3cmp s LEU 144 N -1.93 2.15 0.69 1.80 1.43 -1.26 -4.90 118.68 116.67 3cmp s LEU 144 Ca 0.25 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.08 3cmp s LEU 144 Cb -0.12 0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.17 3cmp s LEU 144 CO 0.16 -0.59 1.12 0.42 0.23 0.00 0.00 176.35 177.69 3cmp s THR 145 N -3.77 3.12 0.36 5.49 -4.23 -1.26 -4.88 115.64 110.46 3cmp s THR 145 Ca 0.20 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.23 3cmp s THR 145 Cb 0.06 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.13 3cmp s THR 145 CO 0.00 -0.35 1.96 0.28 -0.54 0.00 0.00 174.62 175.97 3cmp h SER 146 N -0.27 0.57 0.29 3.99 0.02 -2.01 -2.20 113.55 113.95 3cmp h SER 146 Ca -0.46 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3cmp h SER 146 Cb 1.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3cmp h SER 146 CO 0.53 0.51 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.48 3cmp h GLU 147 N 0.64 -0.42 -0.92 3.45 4.81 -1.98 0.21 114.58 120.36 3cmp h GLU 147 Ca 0.16 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3cmp h GLU 147 Cb 0.10 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3cmp h GLU 147 CO -0.02 -0.28 0.59 -0.07 -0.73 0.00 0.00 179.01 178.50 3cmp h LEU 148 N -0.43 0.96 -0.34 1.64 3.38 -1.88 0.15 115.31 118.78 3cmp h LEU 148 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3cmp h LEU 148 Cb 0.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3cmp h LEU 148 CO 0.04 0.63 -0.41 0.11 0.09 0.00 0.00 178.44 178.91 3cmp h LYS 149 N 1.10 0.88 -0.50 1.13 1.57 -1.21 -1.78 116.57 117.77 3cmp h LYS 149 Ca 0.39 -0.49 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3cmp h LYS 149 Cb 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3cmp h LYS 149 CO -0.15 1.14 -0.02 0.93 -0.57 0.00 0.00 179.45 180.78 3cmp h GLU 150 N 0.68 0.85 -0.82 3.15 3.07 -0.12 -0.71 114.58 120.68 3cmp h GLU 150 Ca 0.05 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 3cmp h GLU 150 Cb 1.00 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.79 3cmp h GLU 150 CO 0.10 0.86 0.49 -0.97 -1.40 0.00 0.00 179.01 178.09 3cmp h ASN 151 N 0.79 0.99 -0.63 1.42 -1.24 -0.64 0.38 115.58 116.65 3cmp h ASN 151 Ca 0.15 -0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 3cmp h ASN 151 Cb 0.50 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 3cmp h ASN 151 CO 0.02 0.77 0.11 0.15 -1.29 0.00 0.00 177.43 177.19 3cmp h PHE 152 N 1.13 1.12 -0.57 0.67 3.04 -0.93 -0.69 116.94 120.71 3cmp h PHE 152 Ca 0.29 -0.15 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 3cmp h PHE 152 Cb -0.03 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 3cmp h PHE 152 CO -0.00 0.94 0.16 0.82 -2.02 0.00 0.00 178.31 178.20 3cmp h ILE 153 N 0.99 1.24 -0.16 1.41 2.04 -0.80 -1.58 117.51 120.65 3cmp h ILE 153 Ca 0.20 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3cmp h ILE 153 Cb 0.42 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3cmp h ILE 153 CO 0.01 0.31 0.08 -0.09 0.00 0.00 0.00 178.15 178.46 3cmp h ARG 154 N 0.80 0.22 -0.44 2.37 9.65 -0.64 -2.11 114.38 124.23 3cmp h ARG 154 Ca 0.18 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3cmp h ARG 154 Cb 0.31 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3cmp h ARG 154 CO -0.00 0.25 0.12 0.35 2.80 0.00 0.00 179.97 183.49 3cmp h PHE 155 N 0.14 0.72 -0.68 2.20 3.57 -1.10 -1.85 116.94 119.93 3cmp h PHE 155 Ca 0.05 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3cmp h PHE 155 Cb 0.10 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 3cmp h PHE 155 CO -0.03 0.67 0.37 0.77 -2.23 0.00 0.00 178.31 177.85 3cmp h SER 156 N 0.57 0.54 -0.06 0.41 0.02 -1.22 -2.04 113.55 111.77 3cmp h SER 156 Ca 0.14 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3cmp h SER 156 Cb 0.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3cmp h SER 156 CO -0.00 0.34 -0.22 0.11 -1.14 0.00 0.00 176.83 175.92 3cmp h LYS 157 N 0.68 0.47 0.00 3.45 1.57 -1.16 -2.47 116.57 119.10 3cmp h LYS 157 Ca 0.31 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3cmp h LYS 157 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3cmp h LYS 157 CO -0.20 0.66 0.00 0.66 -0.57 0.00 0.00 179.45 180.00 3cmp h SER 158 N 0.42 0.00 -0.62 0.86 4.64 -0.59 -1.00 113.55 117.26 3cmp h SER 158 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3cmp h SER 158 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3cmp h SER 158 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 3cmp n LEU 159 N -2.83 4.93 0.00 5.97 4.77 -0.94 -4.95 117.00 123.94 3cmp n LEU 159 Ca -0.02 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3cmp n LEU 159 Cb 0.12 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3cmp n LEU 159 CO 0.19 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3cmp n GLY 160 N 0.99 0.70 3.70 -0.72 0.00 -0.38 -4.63 105.19 104.84 3cmp n GLY 160 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3cmp n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cmp s LEU 161 N 0.00 4.28 0.00 0.99 1.43 -1.14 -5.01 118.68 119.22 3cmp s LEU 161 Ca 0.00 1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 54.17 3cmp s LEU 161 Cb 0.00 -3.15 0.19 0.00 0.03 0.00 0.00 46.19 43.25 3cmp s LEU 161 CO 0.00 -0.21 1.01 -0.81 0.23 0.00 0.00 176.35 176.57 3cmp n PRO 162 N 4.21 -1.32 -0.18 1.29 -0.04 -1.26 -3.97 135.00 133.73 3cmp n PRO 162 Ca 0.01 -1.57 -0.09 0.00 -0.04 0.00 0.00 63.50 61.81 3cmp n PRO 162 Cb 0.51 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.87 3cmp n PRO 162 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3cmp h GLU 163 N 0.00 0.84 0.00 0.54 9.09 -1.97 -2.75 114.58 120.33 3cmp h GLU 163 Ca -0.33 -0.21 0.00 0.00 0.05 0.00 0.00 59.36 58.86 3cmp h GLU 163 Cb 0.94 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3cmp h GLU 163 CO 0.23 0.82 0.00 0.27 0.05 0.00 0.00 179.01 180.38 3cmp n ASN 164 N -4.41 0.00 -1.17 3.06 6.94 -1.26 -1.66 115.26 116.75 3cmp n ASN 164 Ca 0.02 -0.03 0.09 0.00 -0.02 0.00 0.00 54.58 54.64 3cmp n ASN 164 Cb 0.24 -0.27 0.28 0.00 -2.36 0.00 0.00 39.78 37.67 3cmp n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3cmp n HIS 165 N -1.27 0.90 -3.96 -2.53 8.25 -1.04 -1.33 115.22 114.25 3cmp n HIS 165 Ca 0.10 -0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 56.83 3cmp n HIS 165 Cb 0.15 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.06 3cmp n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3cmp s ILE 166 N -1.30 1.51 0.17 1.59 1.01 -0.66 -2.48 121.20 121.04 3cmp s ILE 166 Ca 0.41 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 60.14 3cmp s ILE 166 Cb 0.22 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3cmp s ILE 166 CO 0.26 0.07 -0.18 0.68 0.00 0.00 0.00 174.94 175.77 3cmp s VAL 167 N 1.44 2.76 -0.38 2.92 -7.23 0.97 -4.90 120.40 115.98 3cmp s VAL 167 Ca -0.03 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3cmp s VAL 167 Cb -0.17 -2.32 0.11 0.00 0.56 0.00 0.00 36.38 34.55 3cmp s VAL 167 CO -0.07 -0.06 0.10 -0.36 -0.31 0.00 0.00 175.10 174.39 3cmp s PHE 168 N -1.55 3.66 0.24 2.82 0.40 -1.26 -0.17 117.98 122.12 3cmp s PHE 168 Ca 0.21 -2.98 -0.30 0.00 -0.60 0.00 0.00 56.93 53.26 3cmp s PHE 168 Cb -0.09 -2.94 -0.14 0.00 0.51 0.00 0.00 43.02 40.36 3cmp s PHE 168 CO 0.12 -0.92 1.16 -2.30 0.70 0.00 0.00 175.22 173.98 3cmp n PRO 169 N 4.09 1.48 -2.56 0.24 -0.02 -1.24 -4.93 135.00 132.07 3cmp n PRO 169 Ca 0.04 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3cmp n PRO 169 Cb 0.40 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3cmp n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cmp s VAL 170 N -0.56 4.43 0.30 -1.45 0.11 -0.59 -4.54 120.40 118.10 3cmp s VAL 170 Ca 0.65 1.74 -0.29 0.00 -2.93 0.00 0.00 61.98 61.16 3cmp s VAL 170 Cb -0.73 -4.12 -0.13 0.00 -1.53 0.00 0.00 36.38 29.87 3cmp s VAL 170 CO 0.55 0.11 1.20 -2.65 -3.33 0.00 0.00 175.10 170.99 3cmp n PRO 171 N 4.13 1.78 -4.25 1.54 -0.02 -1.26 -1.22 135.00 135.70 3cmp n PRO 171 Ca 0.08 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 3cmp n PRO 171 Cb 0.48 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 3cmp n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cmp s ILE 172 N -0.86 0.48 -0.14 4.25 -4.36 -1.26 -4.87 121.20 114.44 3cmp s ILE 172 Ca 0.60 -1.98 0.17 0.00 -0.26 0.00 0.00 60.65 59.18 3cmp s ILE 172 Cb -0.65 -2.31 -0.26 0.00 1.25 0.00 0.00 42.46 40.50 3cmp s ILE 172 CO 0.59 -0.28 0.43 0.47 0.24 0.00 0.00 174.94 176.39 3cmp n ASP 173 N -0.29 1.00 -4.65 4.36 10.43 -1.26 -4.82 116.55 121.32 3cmp n ASP 173 Ca -0.03 -0.13 -0.42 0.00 2.57 0.00 0.00 54.79 56.77 3cmp n ASP 173 Cb 0.64 1.68 -0.03 0.00 1.84 0.00 0.00 41.12 45.25 3cmp n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3cmp s GLN 174 N -3.11 3.95 0.00 -1.24 1.11 -1.26 -4.14 119.66 114.97 3cmp s GLN 174 Ca -0.04 2.12 0.00 0.00 0.01 0.00 0.00 55.36 57.45 3cmp s GLN 174 Cb 0.11 -4.08 0.00 0.00 -1.01 0.00 0.00 33.01 28.03 3cmp s GLN 174 CO 0.72 -1.13 0.00 0.00 0.01 0.00 0.00 175.29 174.89 3cmp n ILE 176 N -0.35 0.11 -3.50 0.00 -5.35 -1.26 -4.71 119.36 104.31 3cmp n ILE 176 Ca 0.00 0.03 -0.33 0.00 -0.27 0.00 0.00 62.75 62.18 3cmp n ILE 176 Cb 0.00 -0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 37.29 3cmp n ILE 176 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3cmp s ASP 177 N -2.91 6.63 0.00 7.28 -0.00 -1.26 -4.91 116.67 121.50 3cmp s ASP 177 Ca 0.16 0.84 0.00 0.00 -0.00 0.00 0.00 52.55 53.55 3cmp s ASP 177 Cb 0.18 -2.19 0.00 0.00 -0.00 0.00 0.00 42.92 40.91 3cmp s ASP 177 CO 0.48 0.04 0.00 0.61 -0.00 0.00 0.00 175.17 176.30