#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4o n GLY -1 N 0.00 -0.70 0.12 -0.13 0.00 -1.26 -4.27 105.19 98.95 2c4o n GLY -1 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2c4o n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4o n SER 0 N -0.25 1.72 -0.17 1.61 7.64 -1.26 -3.85 113.62 119.06 2c4o n SER 0 Ca 0.00 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.91 2c4o n SER 0 Cb 0.00 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.76 2c4o n SER 0 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2c4o h MET 1 N 0.03 0.75 -0.07 1.43 1.85 -1.91 -2.36 114.93 114.65 2c4o h MET 1 Ca -0.46 -0.16 -0.20 0.00 -0.61 0.00 0.00 59.70 58.26 2c4o h MET 1 Cb 2.01 -0.11 0.01 0.00 0.43 0.00 0.00 31.60 33.95 2c4o h MET 1 CO 0.03 0.70 -0.74 0.00 -0.40 0.00 0.00 176.91 176.50 2c4o h ALA 2 N 1.01 0.18 -0.74 0.39 0.00 -1.79 -2.23 119.26 116.07 2c4o h ALA 2 Ca 0.16 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2c4o h ALA 2 Cb 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2c4o h ALA 2 CO -0.01 0.53 0.36 1.25 0.00 0.00 0.00 179.25 181.39 2c4o h LEU 3 N 0.26 0.44 -0.62 0.00 5.85 -1.66 0.64 115.31 120.22 2c4o h LEU 3 Ca -0.07 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2c4o h LEU 3 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 2c4o h LEU 3 CO 0.15 0.23 -0.66 0.11 -0.34 0.00 0.00 178.44 177.93 2c4o h LYS 4 N 0.58 0.13 -0.38 1.25 6.56 -1.46 -2.89 116.57 120.36 2c4o h LYS 4 Ca 0.38 -0.10 -0.14 0.00 -1.06 0.00 0.00 60.65 59.73 2c4o h LYS 4 Cb 0.45 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2c4o h LYS 4 CO -0.30 0.74 -0.32 -0.09 -2.06 0.00 0.00 179.45 177.41 2c4o h ARG 5 N 0.09 0.85 0.59 3.15 9.65 -0.32 -2.60 114.38 125.80 2c4o h ARG 5 Ca -0.01 -0.40 -0.03 0.00 -1.10 0.00 0.00 59.98 58.43 2c4o h ARG 5 Cb 1.18 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.76 2c4o h ARG 5 CO 0.09 1.04 -0.28 0.82 2.80 0.00 0.00 179.97 184.44 2c4o h ILE 6 N 0.71 0.00 0.00 1.20 2.04 0.27 -2.04 117.51 119.68 2c4o h ILE 6 Ca 0.07 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2c4o h ILE 6 Cb 0.88 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2c4o h ILE 6 CO 0.08 0.00 0.00 1.57 0.00 0.00 0.00 178.15 179.80 2c4o n HIS 7 N -4.45 0.00 -0.01 1.37 -0.00 -1.10 -1.43 115.22 109.60 2c4o n HIS 7 Ca -0.10 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.89 2c4o n HIS 7 Cb 0.31 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.05 2c4o n HIS 7 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2c4o n LYS 8 N -0.96 0.73 0.12 1.57 0.00 -0.98 -2.96 118.16 115.68 2c4o n LYS 8 Ca 0.10 0.25 -0.01 0.00 0.00 0.00 0.00 58.31 58.65 2c4o n LYS 8 Cb 0.05 -1.70 0.05 0.00 0.00 0.00 0.00 35.03 33.43 2c4o n LYS 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2c4o h GLU 9 N 0.05 0.00 -0.28 1.64 4.22 -0.51 -2.57 114.58 117.13 2c4o h GLU 9 Ca -0.42 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 58.93 2c4o h GLU 9 Cb 2.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2c4o h GLU 9 CO 0.07 0.69 -0.14 1.25 -2.18 0.00 0.00 179.01 178.69 2c4o h LEU 10 N 0.00 0.61 -1.37 1.64 6.46 -1.37 0.32 115.31 121.60 2c4o h LEU 10 Ca -0.01 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.27 2c4o h LEU 10 Cb 1.39 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2c4o h LEU 10 CO 0.09 0.89 -0.32 -0.55 -0.62 0.00 0.00 178.44 177.93 2c4o h ASN 11 N 0.33 0.00 0.07 1.25 7.08 -1.48 0.93 115.58 123.76 2c4o h ASN 11 Ca 0.06 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 53.02 2c4o h ASN 11 Cb 0.66 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.92 2c4o h ASN 11 CO 0.04 0.32 -1.05 0.44 -2.08 0.00 0.00 177.43 175.10 2c4o h ASP 12 N 0.00 0.85 -0.43 6.14 3.32 -1.14 -1.80 116.42 123.36 2c4o h ASP 12 Ca -0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 57.03 56.30 2c4o h ASP 12 Cb 0.58 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2c4o h ASP 12 CO 0.04 1.50 0.10 -0.07 -1.72 0.00 0.00 179.24 179.09 2c4o h LEU 13 N 0.36 0.72 -0.07 1.55 3.38 0.22 -2.68 115.31 118.79 2c4o h LEU 13 Ca -0.13 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 2c4o h LEU 13 Cb 1.71 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.28 2c4o h LEU 13 CO 0.20 0.72 -0.65 0.00 0.09 0.00 0.00 178.44 178.81 2c4o h ALA 14 N 1.37 0.18 0.00 1.53 0.00 -0.81 -2.70 119.26 118.83 2c4o h ALA 14 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2c4o h ALA 14 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2c4o h ALA 14 CO 0.00 0.47 0.00 -2.13 0.00 0.00 0.00 179.25 177.59 2c4o n ARG 15 N -4.13 0.10 -3.02 0.00 0.63 -0.68 -3.63 116.66 105.93 2c4o n ARG 15 Ca -0.09 0.16 -0.17 0.00 -0.92 0.00 0.00 57.85 56.83 2c4o n ARG 15 Cb 0.68 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.08 2c4o n ARG 15 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2c4o n ASP 16 N -1.42 -0.78 -4.49 6.15 -0.08 -1.02 -5.08 116.55 109.83 2c4o n ASP 16 Ca 0.06 -3.04 -0.43 0.00 -1.51 0.00 0.00 54.79 49.88 2c4o n ASP 16 Cb 0.18 0.31 -0.09 0.00 2.34 0.00 0.00 41.12 43.86 2c4o n ASP 16 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2c4o n PRO 17 N 1.11 0.62 -1.81 -0.67 -0.02 -1.02 -4.78 135.00 128.42 2c4o n PRO 17 Ca 0.17 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2c4o n PRO 17 Cb 0.60 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2c4o n PRO 17 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2c4o s PRO 18 N 7.95 4.16 0.29 0.52 0.04 -1.26 -4.87 135.00 141.83 2c4o s PRO 18 Ca 1.16 2.51 -0.28 0.00 0.04 0.00 0.00 61.00 64.43 2c4o s PRO 18 Cb -0.80 -3.09 -0.14 0.00 0.04 0.00 0.00 34.50 30.51 2c4o s PRO 18 CO 0.42 -0.67 1.05 0.00 0.04 0.00 0.00 177.00 177.85 2c4o n ALA 19 N 3.56 -0.07 -0.23 8.56 0.00 -1.26 -2.92 120.51 128.15 2c4o n ALA 19 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2c4o n ALA 19 Cb 0.37 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2c4o n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4o n GLN 20 N 0.78 -1.86 -4.80 0.00 10.64 -1.26 -4.88 117.38 116.00 2c4o n GLN 20 Ca 0.09 0.11 -0.33 0.00 -1.83 0.00 0.00 57.00 55.04 2c4o n GLN 20 Cb 0.32 -3.00 -0.14 0.00 -0.86 0.00 0.00 30.24 26.56 2c4o n GLN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2c4o s SER 22 N -0.03 3.40 -0.29 0.00 0.15 0.11 -4.64 113.70 112.40 2c4o s SER 22 Ca -0.03 -0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 2c4o s SER 22 Cb -0.14 -0.48 0.11 0.00 -1.71 0.00 0.00 66.02 63.80 2c4o s SER 22 CO 0.04 0.30 0.72 0.00 1.20 0.00 0.00 173.24 175.50 2c4o s ALA 23 N -0.72 -2.06 -0.10 5.45 0.00 -1.25 -0.30 121.76 122.78 2c4o s ALA 23 Ca 0.11 2.35 -0.33 0.00 0.00 0.00 0.00 51.96 54.09 2c4o s ALA 23 Cb -0.10 -1.66 0.13 0.00 0.00 0.00 0.00 23.12 21.49 2c4o s ALA 23 CO 0.01 -0.67 1.25 0.20 0.00 0.00 0.00 175.76 176.54 2c4o s GLY 24 N 2.25 -0.35 0.28 0.00 0.00 -0.18 -4.96 107.32 104.36 2c4o s GLY 24 Ca -0.07 1.13 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 2c4o s GLY 24 CO -0.19 0.32 1.53 2.56 0.00 0.00 0.00 173.10 177.32 2c4o s PRO 25 N -2.43 4.17 -1.07 2.90 0.04 -1.26 0.21 135.00 137.56 2c4o s PRO 25 Ca 0.12 2.48 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 2c4o s PRO 25 Cb 0.02 -3.05 0.11 0.00 0.04 0.00 0.00 34.50 31.62 2c4o s PRO 25 CO -0.04 -0.55 1.36 0.08 0.04 0.00 0.00 177.00 177.89 2c4o s VAL 26 N -0.08 4.54 0.00 -0.36 1.01 -0.42 -4.80 120.40 120.29 2c4o s VAL 26 Ca 0.61 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.88 2c4o s VAL 26 Cb -0.46 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 30.99 2c4o s VAL 26 CO 0.47 -1.70 0.00 0.61 0.00 0.00 0.00 175.10 174.48 2c4o n GLY 27 N 5.44 0.73 0.20 4.51 0.00 -1.26 -4.46 105.19 110.35 2c4o n GLY 27 Ca 0.33 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.98 2c4o n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4o n ASP 28 N 0.00 2.46 -4.54 1.61 9.92 -1.26 -4.95 116.55 119.79 2c4o n ASP 28 Ca 0.00 -2.57 -0.39 0.00 -0.53 0.00 0.00 54.79 51.30 2c4o n ASP 28 Cb 0.00 -0.27 -0.11 0.00 -0.64 0.00 0.00 41.12 40.10 2c4o n ASP 28 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2c4o s ASP 29 N -1.89 5.88 0.42 -2.24 -1.08 -1.26 -4.96 116.67 111.54 2c4o s ASP 29 Ca 0.21 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 2c4o s ASP 29 Cb 0.17 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 40.22 2c4o s ASP 29 CO 0.04 -0.12 1.73 -0.03 0.52 0.00 0.00 175.17 177.31 2c4o h MET 30 N 8.39 0.00 -0.01 4.34 1.85 -1.96 -3.06 114.93 124.48 2c4o h MET 30 Ca -0.34 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 2c4o h MET 30 Cb 1.17 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.20 2c4o h MET 30 CO 0.58 0.00 -0.11 1.19 -0.40 0.00 0.00 176.91 178.18 2c4o n PHE 31 N -2.93 0.00 -3.99 1.39 3.01 -1.26 -4.68 117.46 109.00 2c4o n PHE 31 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.18 2c4o n PHE 31 Cb 0.45 -0.08 -0.15 0.00 -0.01 0.00 0.00 39.48 39.69 2c4o n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2c4o s HIS 32 N -2.27 2.83 0.39 1.38 2.46 -1.16 -1.32 115.29 117.61 2c4o s HIS 32 Ca 0.32 -2.08 0.08 0.00 0.47 0.00 0.00 55.06 53.84 2c4o s HIS 32 Cb 0.20 -1.83 -0.05 0.00 -0.13 0.00 0.00 32.58 30.78 2c4o s HIS 32 CO 0.43 -0.83 0.19 -1.58 -2.47 0.00 0.00 174.74 170.47 2c4o s TRP 33 N 1.24 2.64 0.01 3.88 0.52 0.82 -1.30 118.94 126.76 2c4o s TRP 33 Ca -0.05 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.59 2c4o s TRP 33 Cb -0.19 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2c4o s TRP 33 CO -0.06 0.20 -0.11 1.14 0.02 0.00 0.00 176.95 178.14 2c4o s GLN 34 N -3.91 0.81 -0.00 4.98 -2.07 0.13 -1.30 119.66 118.30 2c4o s GLN 34 Ca 0.41 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.45 2c4o s GLN 34 Cb 0.01 -0.77 -0.00 0.00 -1.09 0.00 0.00 33.01 31.16 2c4o s GLN 34 CO 0.23 0.20 -0.03 0.00 -1.32 0.00 0.00 175.29 174.37 2c4o s ALA 35 N -0.52 0.29 -0.10 2.60 0.00 -0.14 -1.01 121.76 122.89 2c4o s ALA 35 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2c4o s ALA 35 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2c4o s ALA 35 CO 0.00 0.07 -0.22 0.99 0.00 0.00 0.00 175.76 176.60 2c4o s THR 36 N -0.07 1.95 -0.15 0.00 2.01 0.59 0.00 115.64 119.96 2c4o s THR 36 Ca 0.01 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 2c4o s THR 36 Cb -0.02 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.84 2c4o s THR 36 CO -0.00 0.53 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.88 2c4o s ILE 37 N 0.41 1.19 -0.29 1.82 -1.16 0.19 -0.71 121.20 122.65 2c4o s ILE 37 Ca -0.18 -0.58 -0.24 0.00 -0.51 0.00 0.00 60.65 59.14 2c4o s ILE 37 Cb -0.18 -1.29 -0.00 0.00 0.61 0.00 0.00 42.46 41.61 2c4o s ILE 37 CO 0.08 0.23 0.80 -0.04 -2.81 0.00 0.00 174.94 173.20 2c4o s MET 38 N 1.61 4.03 0.25 3.50 -1.94 -1.22 -0.10 119.30 125.43 2c4o s MET 38 Ca 0.02 0.70 -0.28 0.00 -1.71 0.00 0.00 55.69 54.42 2c4o s MET 38 Cb -0.14 -3.70 -0.15 0.00 2.01 0.00 0.00 34.83 32.84 2c4o s MET 38 CO -0.08 -0.63 0.76 0.41 -0.01 0.00 0.00 175.02 175.47 2c4o n GLY 39 N 4.06 -1.01 3.30 -0.03 0.00 0.39 -4.85 105.19 107.06 2c4o n GLY 39 Ca 0.04 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 2c4o n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c4o n PRO 40 N 0.85 0.14 0.00 1.61 -0.02 -1.26 -4.33 135.00 132.00 2c4o n PRO 40 Ca 0.14 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 2c4o n PRO 40 Cb 0.29 -1.39 0.06 0.00 -0.02 0.00 0.00 33.50 32.43 2c4o n PRO 40 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2c4o h ASN 41 N -0.38 0.61 -0.56 2.55 -0.73 -1.94 -3.14 115.58 112.00 2c4o h ASN 41 Ca -0.44 -0.33 -0.29 0.00 1.87 0.00 0.00 56.30 57.12 2c4o h ASN 41 Cb 1.37 -0.18 -0.17 0.00 0.27 0.00 0.00 38.32 39.62 2c4o h ASN 41 CO 0.39 1.04 0.15 0.47 -0.37 0.00 0.00 177.43 179.10 2c4o n ASP 42 N -3.96 2.89 -4.70 1.15 8.00 -1.26 -4.69 116.55 113.98 2c4o n ASP 42 Ca -0.03 -3.72 -0.23 0.00 0.71 0.00 0.00 54.79 51.51 2c4o n ASP 42 Cb 0.60 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 2c4o n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c4o s SER 43 N -2.14 4.58 0.00 -2.24 1.04 -1.23 -5.00 113.70 108.71 2c4o s SER 43 Ca 0.49 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2c4o s SER 43 Cb 0.43 -0.74 0.21 0.00 0.10 0.00 0.00 66.02 66.03 2c4o s SER 43 CO 0.03 -0.21 1.06 -0.81 0.98 0.00 0.00 173.24 174.29 2c4o n PRO 44 N -1.06 0.03 -0.33 4.02 -0.04 -1.26 -1.73 135.00 134.63 2c4o n PRO 44 Ca -0.04 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2c4o n PRO 44 Cb 0.61 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.87 2c4o n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2c4o n TYR 45 N -1.39 0.88 -1.63 0.54 4.02 -1.26 -3.40 117.16 114.92 2c4o n TYR 45 Ca 0.02 -0.44 -0.39 0.00 -0.01 0.00 0.00 57.90 57.08 2c4o n TYR 45 Cb 0.04 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.40 2c4o n TYR 45 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2c4o n GLN 46 N 1.49 1.19 0.00 -0.72 7.27 -0.71 -1.88 117.38 124.02 2c4o n GLN 46 Ca 0.23 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.74 2c4o n GLN 46 Cb 0.58 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 31.04 2c4o n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2c4o n GLY 47 N 1.17 2.56 3.90 1.69 0.00 -1.26 -4.95 105.19 108.30 2c4o n GLY 47 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2c4o n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4o s GLY 48 N -1.92 2.08 -0.12 -0.02 0.00 -0.79 -4.69 107.32 101.85 2c4o s GLY 48 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.19 2c4o s GLY 48 CO 0.00 -0.46 -0.20 0.54 0.00 0.00 0.00 173.10 172.97 2c4o s VAL 49 N -1.82 1.91 -0.10 1.40 0.11 -0.55 -0.46 120.40 120.88 2c4o s VAL 49 Ca 0.42 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2c4o s VAL 49 Cb -0.11 -1.69 -0.00 0.00 -1.53 0.00 0.00 36.38 33.05 2c4o s VAL 49 CO 0.26 0.52 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.95 2c4o s PHE 50 N 0.78 2.55 0.07 1.54 0.40 0.85 -4.67 117.98 119.50 2c4o s PHE 50 Ca -0.09 -1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 55.18 2c4o s PHE 50 Cb -0.16 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 2c4o s PHE 50 CO -0.00 -0.40 0.29 -0.06 0.70 0.00 0.00 175.22 175.74 2c4o s PHE 51 N 0.30 3.52 0.02 0.36 0.08 -1.26 0.54 117.98 121.54 2c4o s PHE 51 Ca -0.18 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2c4o s PHE 51 Cb -0.18 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2c4o s PHE 51 CO 0.09 0.54 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.20 2c4o s LEU 52 N -2.30 2.17 -0.14 -0.37 1.02 0.10 -0.54 118.68 118.61 2c4o s LEU 52 Ca 0.34 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 54.08 2c4o s LEU 52 Cb -0.13 -0.06 -0.04 0.00 0.02 0.00 0.00 46.19 45.98 2c4o s LEU 52 CO 0.23 -0.16 0.05 -0.89 0.02 0.00 0.00 176.35 175.60 2c4o s THR 53 N -0.96 4.70 -0.03 5.49 2.01 0.17 -0.96 115.64 126.06 2c4o s THR 53 Ca -0.08 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 61.90 2c4o s THR 53 Cb -0.07 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2c4o s THR 53 CO -0.00 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2c4o s ILE 54 N -0.24 1.78 -0.18 1.82 1.01 -0.42 -1.76 121.20 123.22 2c4o s ILE 54 Ca 0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2c4o s ILE 54 Cb -0.12 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.91 2c4o s ILE 54 CO 0.02 0.50 0.05 -1.00 0.00 0.00 0.00 174.94 174.51 2c4o s HIS 55 N -0.34 0.73 0.09 3.97 3.76 -0.52 -0.13 115.29 122.86 2c4o s HIS 55 Ca 0.04 -0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 54.00 2c4o s HIS 55 Cb -0.10 -0.90 -0.06 0.00 1.11 0.00 0.00 32.58 32.63 2c4o s HIS 55 CO 0.01 -0.56 1.04 -0.06 -0.85 0.00 0.00 174.74 174.32 2c4o s PHE 56 N 1.96 3.66 0.48 1.40 0.40 -0.43 -0.42 117.98 125.02 2c4o s PHE 56 Ca 0.00 1.64 -0.23 0.00 -0.60 0.00 0.00 56.93 57.75 2c4o s PHE 56 Cb -0.16 -3.19 -0.07 0.00 0.51 0.00 0.00 43.02 40.11 2c4o s PHE 56 CO -0.08 -0.30 1.24 -1.25 0.70 0.00 0.00 175.22 175.53 2c4o s PRO 57 N 0.34 3.59 0.00 0.24 0.04 -1.26 -4.83 135.00 133.11 2c4o s PRO 57 Ca 0.51 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2c4o s PRO 57 Cb -0.25 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2c4o s PRO 57 CO 0.30 -0.75 0.24 2.41 0.04 0.00 0.00 177.00 179.24 2c4o n THR 58 N -0.59 0.11 -1.43 1.26 -1.04 -1.26 -0.94 114.28 110.39 2c4o n THR 58 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2c4o n THR 58 Cb 0.47 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2c4o n THR 58 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2c4o n ASP 59 N 0.47 0.00 -4.58 8.00 2.03 -1.26 -0.31 116.55 120.89 2c4o n ASP 59 Ca 0.00 -1.37 -0.41 0.00 0.52 0.00 0.00 54.79 53.53 2c4o n ASP 59 Cb 0.12 -0.07 0.01 0.00 -0.72 0.00 0.00 41.12 40.46 2c4o n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c4o n TYR 60 N 0.00 0.87 -0.14 -0.67 9.36 -0.12 -1.80 117.16 124.66 2c4o n TYR 60 Ca 0.00 0.56 0.09 0.00 3.32 0.00 0.00 57.90 61.87 2c4o n TYR 60 Cb 0.57 -2.18 0.29 0.00 -0.63 0.00 0.00 39.34 37.40 2c4o n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c4o n PRO 61 N 0.12 2.90 0.00 2.98 -0.04 -1.26 -3.53 135.00 136.17 2c4o n PRO 61 Ca 0.10 -2.35 0.09 0.00 -0.04 0.00 0.00 63.50 61.30 2c4o n PRO 61 Cb 0.40 -1.65 0.44 0.00 -0.04 0.00 0.00 33.50 32.65 2c4o n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c4o n PHE 62 N 1.13 0.00 -4.32 0.54 3.01 -0.75 -3.91 117.46 113.17 2c4o n PHE 62 Ca 0.22 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.49 2c4o n PHE 62 Cb 0.66 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.61 2c4o n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2c4o s LYS 63 N -2.75 0.71 0.50 -1.08 1.02 -1.24 -4.91 119.74 111.99 2c4o s LYS 63 Ca 0.14 -0.40 -0.21 0.00 0.02 0.00 0.00 55.97 55.52 2c4o s LYS 63 Cb 0.12 -0.67 -0.07 0.00 -0.52 0.00 0.00 37.83 36.69 2c4o s LYS 63 CO 0.31 0.18 1.12 -1.25 -0.92 0.00 0.00 175.35 174.79 2c4o s PRO 64 N -0.44 3.58 0.55 -1.68 0.04 -1.26 -4.54 135.00 131.25 2c4o s PRO 64 Ca 0.02 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2c4o s PRO 64 Cb -0.04 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2c4o s PRO 64 CO -0.00 -0.67 1.03 -1.25 0.04 0.00 0.00 177.00 176.15 2c4o s PRO 65 N -3.07 3.59 -0.59 0.56 0.04 -1.26 -4.48 135.00 129.79 2c4o s PRO 65 Ca 0.69 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 2c4o s PRO 65 Cb -0.24 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.28 2c4o s PRO 65 CO 0.28 -0.58 0.90 0.21 0.04 0.00 0.00 177.00 177.85 2c4o s LYS 66 N -3.92 3.20 -0.13 4.56 2.47 0.44 -4.89 119.74 121.47 2c4o s LYS 66 Ca 0.63 -0.61 -0.01 0.00 -1.56 0.00 0.00 55.97 54.42 2c4o s LYS 66 Cb -0.14 -4.13 -0.02 0.00 -1.46 0.00 0.00 37.83 32.07 2c4o s LYS 66 CO 0.32 -1.58 -0.09 0.08 0.16 0.00 0.00 175.35 174.25 2c4o s VAL 67 N 3.76 3.47 0.00 4.02 1.01 -1.26 -1.43 120.40 129.97 2c4o s VAL 67 Ca 0.24 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2c4o s VAL 67 Cb -0.16 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2c4o s VAL 67 CO 0.14 0.52 0.10 0.00 0.00 0.00 0.00 175.10 175.87 2c4o s ALA 68 N 0.16 -0.24 -0.01 5.51 0.00 -0.72 -4.44 121.76 122.02 2c4o s ALA 68 Ca -0.04 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2c4o s ALA 68 Cb -0.14 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2c4o s ALA 68 CO 0.04 -0.18 0.88 -0.06 0.00 0.00 0.00 175.76 176.44 2c4o s PHE 69 N -1.23 3.65 -0.12 0.00 0.08 -0.09 -0.66 117.98 119.61 2c4o s PHE 69 Ca -0.13 1.55 0.20 0.00 0.12 0.00 0.00 56.93 58.67 2c4o s PHE 69 Cb -0.07 -3.00 -0.28 0.00 -0.57 0.00 0.00 43.02 39.10 2c4o s PHE 69 CO 0.01 0.05 0.29 2.41 -0.10 0.00 0.00 175.22 177.88 2c4o n THR 70 N 3.71 0.77 -3.42 0.64 -1.04 0.30 -4.24 114.28 111.00 2c4o n THR 70 Ca 0.03 -0.69 -0.38 0.00 -2.04 0.00 0.00 64.05 60.97 2c4o n THR 70 Cb 0.51 -0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 68.69 2c4o n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2c4o s THR 71 N -2.96 5.07 0.40 12.58 2.01 -1.17 -4.95 115.64 126.61 2c4o s THR 71 Ca -0.09 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.55 2c4o s THR 71 Cb 0.10 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 2c4o s THR 71 CO 0.86 0.48 1.26 -0.60 -0.69 0.00 0.00 174.62 175.93 2c4o s ARG 72 N -0.43 4.00 -0.07 4.92 3.52 -1.26 -4.87 118.95 124.75 2c4o s ARG 72 Ca 0.25 2.05 -0.23 0.00 -0.13 0.00 0.00 55.73 57.66 2c4o s ARG 72 Cb -0.16 -2.74 0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2c4o s ARG 72 CO 0.12 -0.43 0.53 -1.50 -0.81 0.00 0.00 175.30 173.21 2c4o s ILE 73 N -1.31 0.02 -0.77 4.11 2.07 -1.26 -4.62 121.20 119.44 2c4o s ILE 73 Ca 0.57 -0.16 -0.18 0.00 -1.41 0.00 0.00 60.65 59.47 2c4o s ILE 73 Cb -0.36 -0.83 0.13 0.00 0.13 0.00 0.00 42.46 41.54 2c4o s ILE 73 CO 0.45 -0.09 0.90 -0.47 -1.91 0.00 0.00 174.94 173.83 2c4o s TYR 74 N -0.93 3.17 -0.03 3.50 5.04 -1.26 -4.96 117.35 121.88 2c4o s TYR 74 Ca -0.10 -1.29 -0.06 0.00 -2.44 0.00 0.00 57.07 53.18 2c4o s TYR 74 Cb -0.03 -4.10 0.01 0.00 0.35 0.00 0.00 41.96 38.19 2c4o s TYR 74 CO 0.06 -1.34 0.14 -1.58 -1.34 0.00 0.00 175.55 171.49 2c4o s HIS 75 N 2.31 -0.06 -0.20 4.97 2.46 -1.26 -4.81 115.29 118.71 2c4o s HIS 75 Ca 0.22 0.13 0.29 0.00 0.47 0.00 0.00 55.06 56.16 2c4o s HIS 75 Cb -0.13 -0.00 0.96 0.00 -0.13 0.00 0.00 32.58 33.28 2c4o s HIS 75 CO -0.02 -0.18 1.82 -1.00 -2.47 0.00 0.00 174.74 172.89 2c4o h PRO 76 N 5.12 0.00 -0.32 2.88 0.13 -1.87 -3.18 132.00 134.77 2c4o h PRO 76 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2c4o h PRO 76 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2c4o h PRO 76 CO 0.41 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.28 2c4o n ASN 77 N -2.93 3.48 -3.41 1.44 3.02 -1.26 0.99 115.26 116.58 2c4o n ASN 77 Ca 0.02 -3.27 -0.14 0.00 -0.03 0.00 0.00 54.58 51.16 2c4o n ASN 77 Cb 0.38 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 2c4o n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c4o s ILE 78 N -2.98 -0.47 0.00 2.41 1.01 -1.20 -0.92 121.20 119.06 2c4o s ILE 78 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2c4o s ILE 78 Cb 0.37 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2c4o s ILE 78 CO 0.06 -0.20 0.00 -0.46 0.00 0.00 0.00 174.94 174.34 2c4o n ASN 79 N 5.34 -0.21 0.14 3.58 2.04 -1.09 -4.40 115.26 120.67 2c4o n ASN 79 Ca -0.04 -0.50 -0.00 0.00 -0.44 0.00 0.00 54.58 53.59 2c4o n ASN 79 Cb 0.49 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 37.99 2c4o n ASN 79 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2c4o h SER 80 N -0.21 0.09 0.17 0.53 4.64 -1.94 -2.70 113.55 114.14 2c4o h SER 80 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2c4o h SER 80 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2c4o h SER 80 CO 0.00 0.55 0.00 0.59 -0.87 0.00 0.00 176.83 177.10 2c4o n ASN 81 N -3.98 0.00 0.00 4.97 3.02 -1.26 -4.86 115.26 113.16 2c4o n ASN 81 Ca -0.02 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2c4o n ASN 81 Cb 0.50 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2c4o n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4o n GLY 82 N 1.03 0.81 3.72 7.41 0.00 -1.02 -4.71 105.19 112.43 2c4o n GLY 82 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2c4o n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4o n SER 83 N 0.00 3.29 -4.54 1.61 7.64 -1.26 -0.91 113.62 119.46 2c4o n SER 83 Ca 0.00 1.18 -0.34 0.00 1.01 0.00 0.00 58.87 60.71 2c4o n SER 83 Cb 0.00 -1.53 -0.11 0.00 -1.01 0.00 0.00 64.21 61.56 2c4o n SER 83 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2c4o s ILE 84 N -0.52 4.29 -0.97 0.44 1.01 -1.26 -2.66 121.20 121.52 2c4o s ILE 84 Ca 0.61 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.92 2c4o s ILE 84 Cb -0.55 -2.92 0.22 0.00 0.01 0.00 0.00 42.46 39.22 2c4o s ILE 84 CO 0.55 0.45 0.99 0.00 0.00 0.00 0.00 174.94 176.94 2c4o s LEU 86 N 0.22 0.83 0.34 0.00 2.96 -1.26 -4.95 118.68 116.81 2c4o s LEU 86 Ca 0.27 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2c4o s LEU 86 Cb -0.09 -0.59 0.66 0.00 0.50 0.00 0.00 46.19 46.67 2c4o s LEU 86 CO -0.08 -0.17 1.93 0.44 -1.32 0.00 0.00 176.35 177.15 2c4o h ASP 87 N 8.27 0.77 0.16 3.68 5.19 -1.97 -1.35 116.42 131.16 2c4o h ASP 87 Ca -0.23 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2c4o h ASP 87 Cb 1.13 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 2c4o h ASP 87 CO 0.31 0.49 -0.01 -0.29 -3.12 0.00 0.00 179.24 176.62 2c4o h ILE 88 N 0.87 0.18 -0.03 0.35 6.09 -1.94 0.18 117.51 123.20 2c4o h ILE 88 Ca 0.35 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 2c4o h ILE 88 Cb 0.26 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.65 2c4o h ILE 88 CO -0.13 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 175.15 2c4o n LEU 89 N -3.31 0.32 0.00 2.19 4.77 -0.51 -3.26 117.00 117.19 2c4o n LEU 89 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2c4o n LEU 89 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2c4o n LEU 89 CO 0.24 0.07 0.00 -1.14 -1.33 0.00 0.00 177.39 175.22 2c4o n ARG 90 N -0.55 0.00 0.18 3.23 0.63 -0.04 -4.81 116.66 115.29 2c4o n ARG 90 Ca 0.13 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.92 2c4o n ARG 90 Cb 0.11 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.95 2c4o n ARG 90 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2c4o h SER 91 N 0.00 -0.74 -0.20 6.15 0.02 -1.68 -2.65 113.55 114.45 2c4o h SER 91 Ca 0.00 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2c4o h SER 91 Cb 0.00 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2c4o h SER 91 CO 0.00 -0.39 0.12 0.00 -1.14 0.00 0.00 176.83 175.42 2c4o n GLN 92 N -5.39 1.34 -3.02 3.45 3.00 0.43 -4.91 117.38 112.28 2c4o n GLN 92 Ca -0.09 -0.64 -0.33 0.00 -0.01 0.00 0.00 57.00 55.93 2c4o n GLN 92 Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 30.24 29.17 2c4o n GLN 92 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 2c4o s TRP 93 N -0.79 3.38 -0.09 1.08 -0.11 -1.00 -4.42 118.94 116.98 2c4o s TRP 93 Ca 0.12 1.37 -0.13 0.00 1.22 0.00 0.00 56.10 58.68 2c4o s TRP 93 Cb 0.10 -2.65 0.03 0.00 -1.50 0.00 0.00 33.47 29.45 2c4o s TRP 93 CO 0.02 0.05 0.34 0.45 -4.62 0.00 0.00 176.95 173.19 2c4o s SER 94 N -2.18 -0.31 0.63 5.86 0.15 -1.26 -5.02 113.70 111.57 2c4o s SER 94 Ca 0.56 0.51 0.36 0.00 0.70 0.00 0.00 55.95 58.07 2c4o s SER 94 Cb -0.11 0.58 2.03 0.00 -1.71 0.00 0.00 66.02 66.82 2c4o s SER 94 CO 0.16 -0.23 2.23 -0.65 1.20 0.00 0.00 173.24 175.96 2c4o h PRO 95 N 5.02 0.00 0.00 5.44 0.11 -1.92 0.27 132.00 140.93 2c4o h PRO 95 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2c4o h PRO 95 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2c4o h PRO 95 CO 0.32 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.11 2c4o n ALA 96 N -2.16 2.37 -2.35 -0.75 0.00 -1.26 -4.81 120.51 111.55 2c4o n ALA 96 Ca -0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 2c4o n ALA 96 Cb 0.17 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2c4o n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c4o s LEU 97 N -2.31 3.68 0.11 0.00 1.02 0.08 -5.11 118.68 116.16 2c4o s LEU 97 Ca 0.31 0.69 -0.01 0.00 0.02 0.00 0.00 54.13 55.15 2c4o s LEU 97 Cb 0.18 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.75 2c4o s LEU 97 CO 0.35 -0.58 0.03 0.42 0.02 0.00 0.00 176.35 176.58 2c4o s THR 98 N -2.64 0.20 0.39 5.49 -4.23 -1.26 -5.00 115.64 108.59 2c4o s THR 98 Ca 0.46 -1.89 0.34 0.00 -1.18 0.00 0.00 61.69 59.42 2c4o s THR 98 Cb -0.10 -1.92 0.36 0.00 1.34 0.00 0.00 72.50 72.18 2c4o s THR 98 CO 0.42 -0.60 2.13 -0.29 -0.54 0.00 0.00 174.62 175.73 2c4o h ILE 99 N 2.92 0.25 0.10 2.99 2.10 -1.98 -0.82 117.51 123.07 2c4o h ILE 99 Ca -0.35 -0.39 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 2c4o h ILE 99 Cb 1.18 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2c4o h ILE 99 CO 0.61 0.05 -0.05 0.77 -1.08 0.00 0.00 178.15 178.46 2c4o h SER 100 N 0.00 -0.11 0.28 2.19 4.64 -1.95 -1.37 113.55 117.23 2c4o h SER 100 Ca -0.00 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 2c4o h SER 100 Cb 0.30 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2c4o h SER 100 CO 0.01 0.19 -0.30 0.11 -0.87 0.00 0.00 176.83 175.97 2c4o h LYS 101 N -0.42 0.02 -0.50 4.77 1.57 -1.78 -2.33 116.57 117.90 2c4o h LYS 101 Ca -0.01 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2c4o h LYS 101 Cb 0.35 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2c4o h LYS 101 CO 0.02 0.32 -0.08 0.28 -0.57 0.00 0.00 179.45 179.42 2c4o h VAL 102 N 0.02 1.26 -0.13 0.50 2.07 -0.96 -0.38 116.25 118.64 2c4o h VAL 102 Ca 0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2c4o h VAL 102 Cb 0.54 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2c4o h VAL 102 CO 0.04 0.41 0.03 -0.07 0.02 0.00 0.00 177.57 178.01 2c4o h LEU 103 N 0.82 0.20 -0.61 2.57 3.38 -0.78 -1.77 115.31 119.11 2c4o h LEU 103 Ca 0.14 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2c4o h LEU 103 Cb 0.60 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2c4o h LEU 103 CO 0.04 0.38 0.32 -0.07 0.09 0.00 0.00 178.44 179.19 2c4o h LEU 104 N 0.01 0.45 -1.13 1.67 -0.00 -1.24 0.16 115.31 115.23 2c4o h LEU 104 Ca 0.04 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 2c4o h LEU 104 Cb 0.26 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 2c4o h LEU 104 CO 0.00 0.29 0.43 -1.28 -0.00 0.00 0.00 178.44 177.88 2c4o h SER 105 N 0.59 0.92 -0.04 -0.43 0.87 -0.87 -1.05 113.55 113.54 2c4o h SER 105 Ca 0.28 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2c4o h SER 105 Cb 0.21 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2c4o h SER 105 CO -0.20 0.73 -0.39 0.40 -0.53 0.00 0.00 176.83 176.84 2c4o h ILE 106 N 1.05 1.44 -0.54 2.23 2.04 -0.52 -1.89 117.51 121.32 2c4o h ILE 106 Ca 0.27 -1.86 0.10 0.00 1.00 0.00 0.00 64.86 64.36 2c4o h ILE 106 Cb -0.01 2.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2c4o h ILE 106 CO -0.05 0.53 0.37 0.00 0.00 0.00 0.00 178.15 179.01 2c4o h SER 108 N 0.33 0.50 -0.33 0.00 4.64 -1.15 -3.02 113.55 114.52 2c4o h SER 108 Ca 0.25 -0.42 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2c4o h SER 108 Cb 0.55 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2c4o h SER 108 CO -0.06 1.23 0.22 0.25 -0.87 0.00 0.00 176.83 177.60 2c4o h LEU 109 N 0.20 0.30 -0.91 5.97 5.85 -0.06 0.59 115.31 127.26 2c4o h LEU 109 Ca -0.08 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2c4o h LEU 109 Cb 1.62 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2c4o h LEU 109 CO 0.17 0.21 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.96 2c4o h LEU 110 N 0.35 0.22 0.00 2.25 -0.00 -1.20 -2.37 115.31 114.56 2c4o h LEU 110 Ca 0.13 -0.10 -0.19 0.00 -0.00 0.00 0.00 57.88 57.73 2c4o h LEU 110 Cb 0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2c4o h LEU 110 CO -0.03 0.65 -1.16 0.00 -0.00 0.00 0.00 178.44 177.90 2c4o s ASP 112 N -6.24 1.13 0.83 0.00 2.15 0.18 -5.10 116.67 109.62 2c4o s ASP 112 Ca -0.01 -2.26 -0.11 0.00 0.43 0.00 0.00 52.55 50.61 2c4o s ASP 112 Cb 0.09 0.24 0.09 0.00 -0.30 0.00 0.00 42.92 43.04 2c4o s ASP 112 CO 0.80 -0.20 1.10 -2.16 -0.17 0.00 0.00 175.17 174.54 2c4o s PRO 113 N 0.77 1.77 -0.96 4.34 0.04 -0.91 -4.50 135.00 135.56 2c4o s PRO 113 Ca 0.25 1.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 2c4o s PRO 113 Cb -0.07 -1.84 0.24 0.00 0.04 0.00 0.00 34.50 32.86 2c4o s PRO 113 CO -0.09 -1.97 0.88 -0.80 0.04 0.00 0.00 177.00 175.06 2c4o s ASN 114 N -3.28 6.47 0.00 6.66 0.01 -1.26 -4.88 114.94 118.65 2c4o s ASN 114 Ca 0.63 -3.59 0.01 0.00 -0.71 0.00 0.00 52.86 49.20 2c4o s ASN 114 Cb -0.18 -2.03 0.05 0.00 0.41 0.00 0.00 41.25 39.50 2c4o s ASN 114 CO 0.57 -0.25 0.86 -0.81 -1.51 0.00 0.00 177.10 175.96 2c4o n PRO 115 N 2.60 0.01 0.10 -0.60 -0.04 -1.26 -0.88 135.00 134.93 2c4o n PRO 115 Ca 0.21 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 2c4o n PRO 115 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2c4o n PRO 115 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2c4o h ASP 116 N 0.00 0.00 -2.50 3.54 3.32 -1.93 -3.37 116.42 115.47 2c4o h ASP 116 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2c4o h ASP 116 Cb 0.01 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.15 2c4o h ASP 116 CO 0.00 0.59 -0.71 -0.90 -1.72 0.00 0.00 179.24 176.50 2c4o n ASP 117 N -3.16 2.42 -4.72 6.45 5.68 -0.06 -5.10 116.55 118.07 2c4o n ASP 117 Ca -0.01 -3.11 -0.42 0.00 -0.50 0.00 0.00 54.79 50.75 2c4o n ASP 117 Cb 0.79 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 2c4o n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2c4o s PRO 118 N -1.60 4.61 0.06 0.11 0.04 -1.25 -4.71 135.00 132.26 2c4o s PRO 118 Ca 0.33 1.45 0.23 0.00 0.04 0.00 0.00 61.00 63.04 2c4o s PRO 118 Cb 0.07 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2c4o s PRO 118 CO -0.11 0.05 0.92 -0.11 0.04 0.00 0.00 177.00 177.79 2c4o n LEU 119 N 3.43 0.55 -3.44 -3.56 7.94 0.28 -4.50 117.00 117.70 2c4o n LEU 119 Ca 0.05 0.02 -0.28 0.00 -1.11 0.00 0.00 56.01 54.69 2c4o n LEU 119 Cb 0.50 -0.07 -0.11 0.00 0.53 0.00 0.00 43.42 44.27 2c4o n LEU 119 CO 0.52 0.00 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.80 2c4o s VAL 120 N -3.28 0.31 0.31 1.96 1.01 -0.87 -4.74 120.40 115.10 2c4o s VAL 120 Ca 0.01 -2.23 0.05 0.00 0.00 0.00 0.00 61.98 59.81 2c4o s VAL 120 Cb 0.14 -1.23 0.34 0.00 0.00 0.00 0.00 36.38 35.62 2c4o s VAL 120 CO 0.82 -1.11 1.62 -0.65 0.00 0.00 0.00 175.10 175.79 2c4o h PRO 121 N 6.31 0.14 -0.92 2.72 0.11 -1.85 -1.85 132.00 136.65 2c4o h PRO 121 Ca 0.16 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.27 2c4o h PRO 121 Cb 0.94 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 2c4o h PRO 121 CO 0.33 0.09 0.61 1.49 -0.21 0.00 0.00 178.00 180.31 2c4o h GLU 122 N 0.15 1.21 -0.21 1.05 4.57 -1.98 -1.28 114.58 118.10 2c4o h GLU 122 Ca 0.62 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.58 2c4o h GLU 122 Cb 1.33 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2c4o h GLU 122 CO -0.73 0.80 -0.46 0.82 -1.18 0.00 0.00 179.01 178.27 2c4o h ILE 123 N 1.25 1.31 0.00 2.32 2.04 -1.73 -2.65 117.51 120.06 2c4o h ILE 123 Ca 0.34 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 2c4o h ILE 123 Cb -0.15 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2c4o h ILE 123 CO -0.07 0.52 -0.25 0.00 0.00 0.00 0.00 178.15 178.34 2c4o h ALA 124 N 1.08 1.49 0.20 1.87 0.00 -1.01 -2.69 119.26 120.21 2c4o h ALA 124 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2c4o h ALA 124 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2c4o h ALA 124 CO 0.09 0.32 -0.10 -0.09 0.00 0.00 0.00 179.25 179.47 2c4o h ARG 125 N 0.00 -0.26 0.00 0.00 2.43 -0.91 -2.96 114.38 112.68 2c4o h ARG 125 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2c4o h ARG 125 Cb 0.47 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2c4o h ARG 125 CO 0.03 -0.17 0.44 -0.84 -1.51 0.00 0.00 179.97 177.92 2c4o h ILE 126 N -0.54 0.00 0.05 1.20 -0.00 -1.54 0.51 117.51 117.20 2c4o h ILE 126 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 64.86 64.57 2c4o h ILE 126 Cb 0.21 0.53 0.01 0.00 -0.00 0.00 0.00 36.82 37.57 2c4o h ILE 126 CO 0.05 0.00 -1.09 0.22 -0.00 0.00 0.00 178.15 177.33 2c4o h TYR 127 N 0.00 0.82 0.04 0.16 3.20 -1.48 0.03 116.97 119.74 2c4o h TYR 127 Ca 0.00 -0.48 -0.26 0.00 3.14 0.00 0.00 58.73 61.13 2c4o h TYR 127 Cb 0.88 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2c4o h TYR 127 CO 0.00 1.32 -1.32 0.87 -1.64 0.00 0.00 178.16 177.39 2c4o h LYS 128 N 0.27 0.08 0.00 1.82 1.57 0.13 -3.31 116.57 117.13 2c4o h LYS 128 Ca -0.13 -0.14 -0.29 0.00 -1.87 0.00 0.00 60.65 58.22 2c4o h LYS 128 Cb 1.75 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 34.06 2c4o h LYS 128 CO 0.20 0.92 -2.28 0.25 -0.57 0.00 0.00 179.45 177.97 2c4o n THR 129 N -3.32 1.08 -3.11 -0.16 -2.24 -0.30 -4.76 114.28 101.48 2c4o n THR 129 Ca -0.09 -0.77 -0.21 0.00 -2.27 0.00 0.00 64.05 60.72 2c4o n THR 129 Cb 1.00 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2c4o n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4o n ASP 130 N -2.63 -0.36 -0.32 3.42 -0.08 -0.02 -4.98 116.55 111.57 2c4o n ASP 130 Ca -0.26 -2.84 0.02 0.00 -1.51 0.00 0.00 54.79 50.20 2c4o n ASP 130 Cb 1.02 -0.16 0.16 0.00 2.34 0.00 0.00 41.12 44.48 2c4o n ASP 130 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2c4o h ARG 131 N 3.91 0.95 -0.98 -0.67 2.43 -1.60 -1.26 114.38 117.16 2c4o h ARG 131 Ca 0.03 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2c4o h ARG 131 Cb 0.92 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 2c4o h ARG 131 CO 0.43 0.63 0.63 0.93 -1.51 0.00 0.00 179.97 181.09 2c4o h GLU 132 N 0.98 1.12 -0.01 0.20 3.07 -1.92 0.87 114.58 118.89 2c4o h GLU 132 Ca 0.40 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 2c4o h GLU 132 Cb 0.23 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2c4o h GLU 132 CO -0.19 0.74 -0.75 -0.22 -1.40 0.00 0.00 179.01 177.19 2c4o h LYS 133 N 1.15 0.11 -0.50 2.33 3.11 -1.74 -2.75 116.57 118.28 2c4o h LYS 133 Ca 0.42 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 58.17 2c4o h LYS 133 Cb 0.16 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.39 2c4o h LYS 133 CO -0.17 0.80 0.32 -0.92 -2.81 0.00 0.00 179.45 176.67 2c4o h TYR 134 N 0.07 0.63 -0.57 1.91 5.03 0.10 -1.86 116.97 122.28 2c4o h TYR 134 Ca -0.02 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2c4o h TYR 134 Cb 1.31 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 2c4o h TYR 134 CO 0.01 0.41 0.20 -0.91 -1.32 0.00 0.00 178.16 176.56 2c4o h ASN 135 N 0.67 0.78 0.67 -2.11 2.35 -0.79 -0.68 115.58 116.47 2c4o h ASN 135 Ca 0.18 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2c4o h ASN 135 Cb -0.06 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 2c4o h ASN 135 CO -0.04 0.72 -0.39 0.03 -1.65 0.00 0.00 177.43 176.10 2c4o h ARG 136 N 0.83 -0.96 -0.32 0.81 3.08 -1.07 -0.09 114.38 116.67 2c4o h ARG 136 Ca 0.19 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 2c4o h ARG 136 Cb 0.21 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2c4o h ARG 136 CO -0.01 -0.64 0.19 0.82 -1.07 0.00 0.00 179.97 179.26 2c4o h ILE 137 N -0.99 1.11 -0.71 2.04 2.04 -1.30 0.20 117.51 119.90 2c4o h ILE 137 Ca -0.09 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.64 2c4o h ILE 137 Cb 0.79 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 2c4o h ILE 137 CO 0.10 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.67 2c4o h ALA 138 N 1.08 0.98 -0.22 1.87 0.00 -1.05 0.10 119.26 122.03 2c4o h ALA 138 Ca 0.11 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2c4o h ALA 138 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2c4o h ALA 138 CO -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 179.25 178.67 2c4o h ARG 139 N 0.50 0.52 0.19 0.00 3.08 -0.57 -2.78 114.38 115.33 2c4o h ARG 139 Ca 0.37 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2c4o h ARG 139 Cb 0.49 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2c4o h ARG 139 CO -0.33 0.85 -0.09 1.49 -1.07 0.00 0.00 179.97 180.81 2c4o h GLU 140 N 0.43 -0.25 -0.61 0.04 4.81 0.68 -2.89 114.58 116.78 2c4o h GLU 140 Ca 0.03 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2c4o h GLU 140 Cb 0.91 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2c4o h GLU 140 CO 0.08 -0.01 0.41 -1.49 -0.73 0.00 0.00 179.01 177.27 2c4o h TRP 141 N -0.46 0.41 0.00 0.92 4.06 -0.88 0.06 115.95 120.06 2c4o h TRP 141 Ca -0.03 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.89 2c4o h TRP 141 Cb 0.35 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2c4o h TRP 141 CO -0.01 0.19 -0.23 1.15 -3.56 0.00 0.00 178.44 175.98 2c4o h THR 142 N 0.38 1.04 0.12 1.49 2.02 -1.29 -0.33 112.91 116.35 2c4o h THR 142 Ca 0.29 -0.83 -0.27 0.00 0.77 0.00 0.00 66.41 66.36 2c4o h THR 142 Cb 0.62 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2c4o h THR 142 CO -0.08 0.23 -1.24 -0.61 0.37 0.00 0.00 175.52 174.19 2c4o h GLN 143 N 0.00 0.26 0.00 6.66 5.75 -0.81 0.43 115.11 127.40 2c4o h GLN 143 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2c4o h GLN 143 Cb 0.45 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.16 2c4o h GLN 143 CO 0.03 1.21 -0.84 0.87 -2.65 0.00 0.00 178.83 177.45 2c4o h LYS 144 N 0.07 0.00 0.00 1.69 6.56 -1.23 -3.38 116.57 120.29 2c4o h LYS 144 Ca -0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2c4o h LYS 144 Cb 1.96 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.62 2c4o h LYS 144 CO 0.20 0.00 -0.69 0.66 -2.06 0.00 0.00 179.45 177.56 2c4o n TYR 145 N -2.50 0.00 0.70 -1.35 4.01 -0.15 -4.87 117.16 113.00 2c4o n TYR 145 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 2c4o n TYR 145 Cb 0.51 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 2c4o n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4o n ALA 146 N -1.80 3.79 1.51 -0.72 0.00 -0.78 -4.77 120.51 117.75 2c4o n ALA 146 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.14 2c4o n ALA 146 Cb 0.34 -0.54 0.53 0.00 0.00 0.00 0.00 19.45 19.78 2c4o n ALA 146 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38