#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cip s GLN 6 N 0.00 3.78 0.38 5.55 2.00 -1.26 -5.02 119.66 125.09 3cip s GLN 6 Ca 0.00 -0.44 -0.13 0.00 -2.00 0.00 0.00 55.36 52.79 3cip s GLN 6 Cb 0.00 -3.69 -0.08 0.00 0.80 0.00 0.00 33.01 30.04 3cip s GLN 6 CO 0.00 -0.27 0.77 0.00 -0.50 0.00 0.00 175.29 175.29 3cip s ALA 7 N 1.74 3.31 0.16 1.58 0.00 -1.26 -4.25 121.76 123.04 3cip s ALA 7 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.02 3cip s ALA 7 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3cip s ALA 7 CO 0.10 0.12 0.05 -0.51 0.00 0.00 0.00 175.76 175.53 3cip s LEU 8 N -3.50 3.54 -0.08 0.00 1.43 -0.21 -1.07 118.68 118.79 3cip s LEU 8 Ca 0.53 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3cip s LEU 8 Cb -0.10 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.96 3cip s LEU 8 CO 0.25 0.09 -0.08 -0.69 0.23 0.00 0.00 176.35 176.16 3cip s VAL 9 N -1.68 0.89 -0.13 -1.59 1.01 -0.12 -0.57 120.40 118.21 3cip s VAL 9 Ca 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 3cip s VAL 9 Cb -0.10 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3cip s VAL 9 CO 0.20 0.32 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3cip s ILE 10 N 1.22 1.24 -0.43 2.22 1.01 0.08 -1.10 121.20 125.43 3cip s ILE 10 Ca -0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3cip s ILE 10 Cb -0.14 -1.23 0.07 0.00 0.01 0.00 0.00 42.46 41.18 3cip s ILE 10 CO -0.02 0.38 0.29 -0.62 0.00 0.00 0.00 174.94 174.97 3cip s ASP 11 N 1.62 5.77 -0.95 3.58 3.68 0.93 -2.00 116.67 129.30 3cip s ASP 11 Ca 0.05 -1.44 -0.18 0.00 2.13 0.00 0.00 52.55 53.11 3cip s ASP 11 Cb -0.13 -2.04 0.14 0.00 -1.45 0.00 0.00 42.92 39.44 3cip s ASP 11 CO -0.09 -0.56 1.14 0.20 0.13 0.00 0.00 175.17 175.99 3cip s ASN 12 N 2.21 6.67 0.60 -0.34 -0.87 -1.26 -1.44 114.94 120.51 3cip s ASN 12 Ca 0.03 -2.13 -0.14 0.00 -1.57 0.00 0.00 52.86 49.05 3cip s ASN 12 Cb -0.23 -2.39 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 3cip s ASN 12 CO 0.03 -1.03 1.03 -0.83 -2.57 0.00 0.00 177.10 173.74 3cip s GLY 13 N 3.53 1.89 0.32 0.66 0.00 -1.02 -4.94 107.32 107.76 3cip s GLY 13 Ca 0.33 0.15 0.03 0.00 0.00 0.00 0.00 44.72 45.23 3cip s GLY 13 CO -0.09 0.44 1.84 1.76 0.00 0.00 0.00 173.10 177.06 3cip h SER 14 N 0.10 0.55 0.00 1.64 0.02 -1.93 -3.34 113.55 110.59 3cip h SER 14 Ca -0.45 -0.11 -0.31 0.00 -0.84 0.00 0.00 61.79 60.07 3cip h SER 14 Cb 1.20 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 3cip h SER 14 CO 0.59 0.63 -2.14 0.61 -1.14 0.00 0.00 176.83 175.38 3cip n GLY 15 N -0.81 -0.29 2.92 -3.77 0.00 -1.26 -4.68 105.19 97.31 3cip n GLY 15 Ca 0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3cip n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cip s MET 16 N -2.40 0.94 0.08 1.61 -2.45 -1.25 -1.05 119.30 114.78 3cip s MET 16 Ca -0.27 -0.17 -0.18 0.00 -1.25 0.00 0.00 55.69 53.82 3cip s MET 16 Cb 0.08 -0.89 -0.07 0.00 1.25 0.00 0.00 34.83 35.20 3cip s MET 16 CO 0.45 -0.04 0.55 0.00 1.05 0.00 0.00 175.02 177.03 3cip s LYS 18 N -1.29 2.87 0.03 0.00 3.01 -0.52 -1.66 119.74 122.18 3cip s LYS 18 Ca 0.30 -0.79 0.02 0.00 -1.01 0.00 0.00 55.97 54.50 3cip s LYS 18 Cb -0.18 -2.45 -0.02 0.00 -1.01 0.00 0.00 37.83 34.17 3cip s LYS 18 CO 0.19 -0.16 -0.08 0.00 0.51 0.00 0.00 175.35 175.81 3cip s ALA 19 N 1.19 0.58 0.00 5.17 0.00 0.33 -0.05 121.76 128.98 3cip s ALA 19 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3cip s ALA 19 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3cip s ALA 19 CO -0.10 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3cip n GLY 20 N 1.86 -0.62 3.38 0.00 0.00 -0.26 -1.24 105.19 108.31 3cip n GLY 20 Ca -0.20 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3cip n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cip s PHE 21 N -3.26 2.88 0.23 1.61 0.08 -1.26 -0.94 117.98 117.31 3cip s PHE 21 Ca 0.00 -0.65 -0.31 0.00 0.12 0.00 0.00 56.93 56.08 3cip s PHE 21 Cb 0.00 -1.92 -0.14 0.00 -0.57 0.00 0.00 43.02 40.39 3cip s PHE 21 CO 0.00 -0.25 1.28 0.00 -0.10 0.00 0.00 175.22 176.15 3cip n ALA 22 N 3.79 0.40 0.00 5.36 0.00 -0.23 -1.79 120.51 128.04 3cip n ALA 22 Ca -0.18 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3cip n ALA 22 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3cip n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cip n GLY 23 N 1.92 1.70 3.84 0.00 0.00 -1.19 -4.79 105.19 106.67 3cip n GLY 23 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3cip n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cip s ASP 24 N -1.64 6.80 0.00 1.61 1.01 -0.74 -4.99 116.67 118.72 3cip s ASP 24 Ca 0.00 1.40 0.30 0.00 0.71 0.00 0.00 52.55 54.95 3cip s ASP 24 Cb 0.00 -2.42 1.39 0.00 1.01 0.00 0.00 42.92 42.90 3cip s ASP 24 CO 0.00 -0.28 1.95 -0.90 0.21 0.00 0.00 175.17 176.15 3cip n ASP 25 N -0.56 0.40 -3.67 0.27 5.68 -1.26 -4.87 116.55 112.54 3cip n ASP 25 Ca 0.05 -0.69 -0.15 0.00 -0.50 0.00 0.00 54.79 53.50 3cip n ASP 25 Cb 0.53 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.36 3cip n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cip s ALA 26 N -2.35 -1.15 0.32 2.12 0.00 -1.26 -4.87 121.76 114.57 3cip s ALA 26 Ca 0.34 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3cip s ALA 26 Cb 0.21 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.30 3cip s ALA 26 CO 0.44 -0.32 1.31 -1.25 0.00 0.00 0.00 175.76 175.94 3cip s PRO 27 N -1.41 4.36 0.26 0.00 0.04 -1.26 -4.77 135.00 132.22 3cip s PRO 27 Ca -0.12 2.20 0.08 0.00 0.04 0.00 0.00 61.00 63.20 3cip s PRO 27 Cb -0.03 -3.08 0.34 0.00 0.04 0.00 0.00 34.50 31.77 3cip s PRO 27 CO 0.05 -0.19 1.61 0.00 0.04 0.00 0.00 177.00 178.51 3cip h ARG 28 N 3.56 0.13 -4.32 4.56 2.47 -1.54 -3.44 114.38 115.79 3cip h ARG 28 Ca -0.49 -0.08 -0.49 0.00 -1.26 0.00 0.00 59.98 57.66 3cip h ARG 28 Cb 1.22 0.01 -0.35 0.00 -1.65 0.00 0.00 29.97 29.21 3cip h ARG 28 CO 0.67 0.67 -0.80 0.00 0.56 0.00 0.00 179.97 181.06 3cip s ALA 29 N -3.76 1.13 -0.11 0.04 0.00 -0.45 -5.02 121.76 113.59 3cip s ALA 29 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 3cip s ALA 29 Cb 0.13 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3cip s ALA 29 CO 0.78 -0.07 -0.02 0.08 0.00 0.00 0.00 175.76 176.53 3cip s VAL 30 N 1.02 0.64 0.05 0.00 1.01 -1.26 -0.51 120.40 121.35 3cip s VAL 30 Ca -0.08 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 3cip s VAL 30 Cb -0.15 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.47 3cip s VAL 30 CO -0.00 0.22 0.43 0.72 0.00 0.00 0.00 175.10 176.47 3cip s PHE 31 N 1.86 -0.30 0.30 5.22 -0.12 -0.67 -4.99 117.98 119.29 3cip s PHE 31 Ca 0.04 0.26 -0.30 0.00 -0.05 0.00 0.00 56.93 56.88 3cip s PHE 31 Cb -0.13 0.25 -0.12 0.00 -0.63 0.00 0.00 43.02 42.39 3cip s PHE 31 CO -0.07 -0.59 1.55 -2.30 -0.05 0.00 0.00 175.22 173.76 3cip n PRO 32 N 0.45 2.61 -1.76 1.99 -0.02 -1.26 -0.31 135.00 136.70 3cip n PRO 32 Ca -0.18 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3cip n PRO 32 Cb 0.60 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3cip n PRO 32 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3cip n SER 33 N 1.86 4.27 -3.97 2.55 7.64 -0.21 -3.63 113.62 122.13 3cip n SER 33 Ca 0.08 -2.85 -0.17 0.00 1.01 0.00 0.00 58.87 56.93 3cip n SER 33 Cb 0.36 -1.64 -0.15 0.00 -1.01 0.00 0.00 64.21 61.78 3cip n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3cip s ILE 34 N 2.86 0.50 -0.12 0.44 1.01 -1.26 -4.24 121.20 120.39 3cip s ILE 34 Ca 0.48 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.90 3cip s ILE 34 Cb 0.14 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 3cip s ILE 34 CO -0.08 0.15 -0.20 -0.69 0.00 0.00 0.00 174.94 174.12 3cip s VAL 35 N -0.03 2.32 -0.04 2.92 1.01 -0.17 -1.53 120.40 124.87 3cip s VAL 35 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3cip s VAL 35 Cb -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3cip s VAL 35 CO -0.00 0.54 -0.13 -0.83 0.00 0.00 0.00 175.10 174.68 3cip s GLY 36 N 0.54 1.57 0.10 4.51 0.00 0.71 -0.73 107.32 114.01 3cip s GLY 36 Ca -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 43.66 3cip s GLY 36 CO 0.04 -0.78 -0.13 0.50 0.00 0.00 0.00 173.10 172.73 3cip s ARG 37 N -0.83 0.89 -0.01 2.90 0.52 -0.65 -0.80 118.95 120.98 3cip s ARG 37 Ca 0.12 -1.10 -0.40 0.00 -0.52 0.00 0.00 55.73 53.83 3cip s ARG 37 Cb -0.11 -0.77 -0.19 0.00 0.52 0.00 0.00 34.95 34.40 3cip s ARG 37 CO 0.01 0.15 1.16 -2.30 0.02 0.00 0.00 175.30 174.34 3cip n PRO 38 N 0.83 0.26 -0.12 3.54 -0.02 -1.26 -0.23 135.00 138.00 3cip n PRO 38 Ca -0.18 0.09 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 3cip n PRO 38 Cb 0.56 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 3cip n PRO 38 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cip h ARG 39 N 3.46 0.68 -6.42 -0.52 2.43 -1.51 -3.41 114.38 109.09 3cip h ARG 39 Ca -0.50 -0.25 -0.62 0.00 -0.81 0.00 0.00 59.98 57.80 3cip h ARG 39 Cb 1.41 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.78 3cip h ARG 39 CO 0.69 0.82 -0.72 -1.01 -1.51 0.00 0.00 179.97 178.25 3cip s HIS 40 N -4.83 2.63 0.00 2.20 3.76 -1.26 -4.85 115.29 112.94 3cip s HIS 40 Ca -0.13 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3cip s HIS 40 Cb 0.09 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.51 3cip s HIS 40 CO 0.80 0.52 0.00 -2.37 -0.85 0.00 0.00 174.74 172.84 3cip n THR 41 N -0.04 0.00 0.00 1.30 5.66 -1.26 -5.15 114.28 114.79 3cip n THR 41 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 3cip n THR 41 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3cip n THR 41 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3cip n LYS 50 N 0.00 0.00 0.15 1.09 5.02 -1.26 -4.97 118.16 118.19 3cip n LYS 50 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3cip n LYS 50 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.17 3cip n LYS 50 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3cip h ASP 51 N 0.00 0.00 -5.08 4.39 3.32 -2.04 -3.47 116.42 113.53 3cip h ASP 51 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3cip h ASP 51 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 3cip h ASP 51 CO 0.00 0.54 -0.16 -0.94 -1.72 0.00 0.00 179.24 176.96 3cip s SER 52 N -6.54 -0.15 0.12 6.45 1.04 -1.26 -4.38 113.70 108.97 3cip s SER 52 Ca 0.01 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.18 3cip s SER 52 Cb 0.10 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3cip s SER 52 CO 0.73 -0.77 -0.15 -0.31 0.98 0.00 0.00 173.24 173.73 3cip s TYR 53 N -3.44 1.47 0.05 5.02 2.02 0.02 -4.97 117.35 117.51 3cip s TYR 53 Ca 0.01 -0.53 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 3cip s TYR 53 Cb 0.02 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3cip s TYR 53 CO -0.09 0.17 -0.14 0.08 -1.57 0.00 0.00 175.55 174.00 3cip s VAL 54 N -2.04 1.12 0.00 0.71 1.01 -1.26 -0.21 120.40 119.73 3cip s VAL 54 Ca 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3cip s VAL 54 Cb -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3cip s VAL 54 CO 0.04 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3cip n GLY 55 N 1.76 0.26 0.30 4.51 0.00 -0.58 -3.61 105.19 107.83 3cip n GLY 55 Ca -0.19 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 44.91 3cip n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cip h ASP 56 N 8.79 0.61 -0.36 1.61 3.32 -1.93 -1.82 116.42 126.64 3cip h ASP 56 Ca 0.00 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3cip h ASP 56 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3cip h ASP 56 CO 0.00 0.33 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.74 3cip h GLU 57 N 0.72 0.75 -0.33 3.56 4.81 -1.98 0.30 114.58 122.41 3cip h GLU 57 Ca 0.41 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3cip h GLU 57 Cb 0.44 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3cip h GLU 57 CO -0.28 0.78 0.07 0.00 -0.73 0.00 0.00 179.01 178.85 3cip h ALA 58 N 1.28 0.43 -0.67 2.92 0.00 -1.48 -1.33 119.26 120.41 3cip h ALA 58 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3cip h ALA 58 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3cip h ALA 58 CO 0.02 0.10 0.34 0.37 0.00 0.00 0.00 179.25 180.09 3cip h GLN 59 N 0.37 0.95 -0.33 0.00 5.75 -0.97 -2.59 115.11 118.28 3cip h GLN 59 Ca 0.10 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 3cip h GLN 59 Cb 0.31 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3cip h GLN 59 CO 0.00 0.73 -0.16 0.77 -2.65 0.00 0.00 178.83 177.53 3cip h SER 60 N 0.92 0.59 -0.44 -0.69 0.02 -0.79 -2.87 113.55 110.29 3cip h SER 60 Ca 0.23 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3cip h SER 60 Cb 0.08 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3cip h SER 60 CO -0.03 0.76 0.07 0.29 -1.14 0.00 0.00 176.83 176.78 3cip n LYS 61 N -4.16 3.36 0.28 3.45 5.02 -0.52 -4.52 118.16 121.07 3cip n LYS 61 Ca 0.01 -2.12 0.18 0.00 -2.02 0.00 0.00 58.31 54.36 3cip n LYS 61 Cb 0.36 -1.99 0.96 0.00 -0.02 0.00 0.00 35.03 34.34 3cip n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 3cip h ARG 62 N 2.38 0.00 0.00 1.97 0.11 -1.23 -1.39 114.38 116.22 3cip h ARG 62 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 3cip h ARG 62 Cb 1.63 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.71 3cip h ARG 62 CO 0.40 0.00 -0.05 0.78 0.10 0.00 0.00 179.97 181.20 3cip h GLY 63 N 0.00 0.00 -0.07 0.08 0.00 -1.87 -3.01 103.07 98.20 3cip h GLY 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3cip h GLY 63 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3cip n ILE 64 N -3.86 0.09 -4.38 2.60 -5.35 -0.56 -5.02 119.36 102.87 3cip n ILE 64 Ca -0.03 -0.54 -0.28 0.00 -0.27 0.00 0.00 62.75 61.63 3cip n ILE 64 Cb 0.14 0.97 -0.13 0.00 -1.74 0.00 0.00 39.64 38.89 3cip n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3cip s LEU 65 N -0.15 2.34 -0.16 7.28 1.43 -0.99 -1.41 118.68 127.01 3cip s LEU 65 Ca 0.01 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.21 3cip s LEU 65 Cb 0.01 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 3cip s LEU 65 CO 0.01 0.15 0.28 0.28 0.23 0.00 0.00 176.35 177.30 3cip s THR 66 N -1.22 5.31 -0.08 5.49 -1.32 0.69 -4.69 115.64 119.81 3cip s THR 66 Ca 0.14 0.53 -0.04 0.00 -1.21 0.00 0.00 61.69 61.11 3cip s THR 66 Cb -0.09 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 3cip s THR 66 CO 0.07 0.39 0.10 -0.76 -2.21 0.00 0.00 174.62 172.21 3cip s LEU 67 N 0.46 4.11 0.01 9.08 1.43 -1.26 -1.63 118.68 130.87 3cip s LEU 67 Ca 0.16 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3cip s LEU 67 Cb -0.13 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3cip s LEU 67 CO 0.04 0.36 -0.14 -0.54 0.23 0.00 0.00 176.35 176.29 3cip s LYS 68 N -1.22 1.09 -0.30 1.70 -0.14 0.09 -4.99 119.74 115.97 3cip s LYS 68 Ca 0.17 -0.61 0.03 0.00 -1.36 0.00 0.00 55.97 54.21 3cip s LYS 68 Cb -0.12 -1.08 0.08 0.00 -1.68 0.00 0.00 37.83 35.04 3cip s LYS 68 CO 0.07 0.29 -0.02 0.71 -0.76 0.00 0.00 175.35 175.64 3cip s TYR 69 N -0.52 3.52 -1.42 3.18 2.02 -1.26 -1.00 117.35 121.86 3cip s TYR 69 Ca 0.04 -2.64 0.23 0.00 -0.37 0.00 0.00 57.07 54.34 3cip s TYR 69 Cb -0.06 -2.46 1.17 0.00 -0.40 0.00 0.00 41.96 40.21 3cip s TYR 69 CO 0.00 -0.91 1.77 -0.35 -1.57 0.00 0.00 175.55 174.48 3cip n PRO 70 N 4.36 0.32 -4.58 -1.71 -0.04 -1.26 -4.65 135.00 127.44 3cip n PRO 70 Ca -0.05 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 3cip n PRO 70 Cb 0.42 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 3cip n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3cip s ILE 71 N -2.58 2.50 -0.39 0.52 1.01 -1.26 -0.01 121.20 120.99 3cip s ILE 71 Ca 0.22 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 60.15 3cip s ILE 71 Cb 0.16 -2.04 0.44 0.00 0.01 0.00 0.00 42.46 41.02 3cip s ILE 71 CO 0.36 0.52 1.04 1.21 0.00 0.00 0.00 174.94 178.07 3cip n GLU 72 N 4.05 2.40 0.00 2.79 4.07 -1.26 -4.65 120.64 128.04 3cip n GLU 72 Ca -0.19 -3.94 0.00 0.00 -0.06 0.00 0.00 57.16 52.96 3cip n GLU 72 Cb 0.52 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 3cip n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3cip n GLY 74 N -0.29 0.00 3.55 8.31 0.00 -1.26 -4.70 105.19 110.79 3cip n GLY 74 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3cip n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cip s ILE 75 N -0.18 3.94 0.07 -0.61 -1.09 -1.26 -4.09 121.20 117.98 3cip s ILE 75 Ca 0.00 -0.36 -0.31 0.00 -2.23 0.00 0.00 60.65 57.76 3cip s ILE 75 Cb 0.00 -2.70 -0.07 0.00 -1.58 0.00 0.00 42.46 38.12 3cip s ILE 75 CO 0.00 0.53 1.35 -0.69 -1.23 0.00 0.00 174.94 174.90 3cip s VAL 76 N -0.05 3.60 -0.28 2.92 1.01 -1.26 -4.39 120.40 121.94 3cip s VAL 76 Ca 0.02 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.17 3cip s VAL 76 Cb -0.13 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 3cip s VAL 76 CO 0.03 0.06 0.29 0.35 0.00 0.00 0.00 175.10 175.82 3cip n THR 77 N 4.18 0.00 -3.56 3.92 -2.24 0.98 -4.92 114.28 112.64 3cip n THR 77 Ca 0.11 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 3cip n THR 77 Cb 0.44 0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 3cip n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3cip s ASN 78 N -1.97 2.31 0.21 3.42 3.84 -1.19 -5.04 114.94 116.52 3cip s ASN 78 Ca 0.02 -0.65 0.03 0.00 0.21 0.00 0.00 52.86 52.46 3cip s ASN 78 Cb 0.06 -0.09 0.14 0.00 -0.55 0.00 0.00 41.25 40.80 3cip s ASN 78 CO 0.31 -0.36 1.48 -0.50 -2.79 0.00 0.00 177.10 175.24 3cip h TRP 79 N 8.39 0.32 -0.28 0.43 4.06 -1.91 -1.06 115.95 125.89 3cip h TRP 79 Ca -0.16 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 3cip h TRP 79 Cb 1.12 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3cip h TRP 79 CO 0.18 0.87 0.17 -0.44 -3.56 0.00 0.00 178.44 175.65 3cip h ASP 80 N 0.16 0.35 -0.59 -3.49 3.32 -1.99 -0.14 116.42 114.04 3cip h ASP 80 Ca -0.02 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 3cip h ASP 80 Cb 1.27 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3cip h ASP 80 CO 0.11 0.31 -0.04 0.44 -1.72 0.00 0.00 179.24 178.34 3cip h ASP 81 N 0.35 1.06 -0.76 6.45 3.45 -1.97 -2.24 116.42 122.76 3cip h ASP 81 Ca 0.10 -0.32 -0.04 0.00 0.43 0.00 0.00 57.03 57.20 3cip h ASP 81 Cb 0.03 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 3cip h ASP 81 CO -0.02 1.13 0.34 -0.03 -1.57 0.00 0.00 179.24 179.09 3cip h MET 82 N 0.97 1.12 -0.89 3.56 4.05 -0.97 -1.20 114.93 121.56 3cip h MET 82 Ca 0.16 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3cip h MET 82 Cb 0.61 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 3cip h MET 82 CO 0.04 0.89 0.55 1.49 0.23 0.00 0.00 176.91 180.11 3cip h GLU 83 N 1.09 1.20 -0.78 0.39 4.81 -0.85 -0.35 114.58 120.10 3cip h GLU 83 Ca 0.26 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3cip h GLU 83 Cb 0.16 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3cip h GLU 83 CO -0.03 0.83 0.37 0.87 -0.73 0.00 0.00 179.01 180.32 3cip h LYS 84 N 1.23 1.13 -0.40 1.92 1.57 -0.71 0.50 116.57 121.80 3cip h LYS 84 Ca 0.32 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3cip h LYS 84 Cb -0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3cip h LYS 84 CO -0.06 0.88 0.19 0.82 -0.57 0.00 0.00 179.45 180.71 3cip h ILE 85 N 1.10 1.17 -0.59 1.86 2.04 -0.56 -1.25 117.51 121.29 3cip h ILE 85 Ca 0.27 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3cip h ILE 85 Cb 0.13 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3cip h ILE 85 CO -0.03 0.18 0.05 -0.50 0.00 0.00 0.00 178.15 177.85 3cip h TRP 86 N 0.50 1.08 -0.26 1.37 6.55 -0.75 0.80 115.95 125.24 3cip h TRP 86 Ca 0.14 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3cip h TRP 86 Cb 0.12 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 3cip h TRP 86 CO -0.01 0.95 0.17 1.25 -1.05 0.00 0.00 178.44 179.75 3cip h HIS 87 N 0.90 0.33 -0.84 0.49 2.76 -0.69 -1.28 115.15 116.82 3cip h HIS 87 Ca 0.17 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 3cip h HIS 87 Cb 0.49 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 3cip h HIS 87 CO 0.04 0.21 0.55 1.25 -1.30 0.00 0.00 177.93 178.67 3cip h HIS 88 N 0.35 1.03 -0.19 5.26 -0.00 -1.02 -1.12 115.15 119.46 3cip h HIS 88 Ca 0.09 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3cip h HIS 88 Cb -0.04 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.01 3cip h HIS 88 CO -0.06 0.62 0.12 1.15 -0.00 0.00 0.00 177.93 179.77 3cip h THR 89 N 1.09 1.06 0.30 6.26 2.02 -0.18 0.88 112.91 124.34 3cip h THR 89 Ca 0.32 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3cip h THR 89 Cb -0.06 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3cip h THR 89 CO -0.09 0.06 -0.15 -0.26 0.37 0.00 0.00 175.52 175.45 3cip h PHE 90 N 0.25 -0.38 0.04 3.16 0.05 -1.07 0.59 116.94 119.58 3cip h PHE 90 Ca 0.07 -0.01 -0.25 0.00 3.82 0.00 0.00 57.97 61.60 3cip h PHE 90 Cb -0.01 0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.04 3cip h PHE 90 CO -0.06 -0.05 -1.24 1.88 -0.18 0.00 0.00 178.31 178.67 3cip h TYR 91 N -0.76 0.15 0.00 -0.55 -1.99 -1.19 -0.19 116.97 112.43 3cip h TYR 91 Ca -0.04 -0.11 -0.23 0.00 2.00 0.00 0.00 58.73 60.35 3cip h TYR 91 Cb 0.50 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.19 3cip h TYR 91 CO 0.03 1.10 -1.89 0.09 -0.00 0.00 0.00 178.16 177.49 3cip n ASN 92 N -3.34 2.77 -0.07 3.88 3.02 0.22 -4.02 115.26 117.71 3cip n ASN 92 Ca -0.07 -0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.29 3cip n ASN 92 Cb 0.99 -0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 39.84 3cip n ASN 92 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3cip h GLU 93 N 0.00 0.00 0.00 3.52 4.39 -1.19 -3.39 114.58 117.91 3cip h GLU 93 Ca -0.35 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 3cip h GLU 93 Cb 1.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3cip h GLU 93 CO -0.05 0.64 -0.88 -0.07 -1.16 0.00 0.00 179.01 177.49 3cip h LEU 94 N -1.00 0.00 -1.83 1.33 3.38 -0.96 -3.46 115.31 112.76 3cip h LEU 94 Ca -0.06 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 3cip h LEU 94 Cb 0.74 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.62 3cip h LEU 94 CO -0.04 0.08 -0.81 0.54 0.09 0.00 0.00 178.44 178.31 3cip n ARG 95 N -2.79 -5.37 -4.53 1.13 1.74 -0.39 -5.01 116.66 101.44 3cip n ARG 95 Ca -0.00 0.75 -0.25 0.00 -0.77 0.00 0.00 57.85 57.57 3cip n ARG 95 Cb 0.59 -5.53 -0.11 0.00 -1.02 0.00 0.00 32.46 26.39 3cip n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cip s VAL 96 N -3.49 2.13 -0.33 1.55 -7.23 -0.22 -5.01 120.40 107.79 3cip s VAL 96 Ca 0.06 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 3cip s VAL 96 Cb -0.01 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 3cip s VAL 96 CO 0.77 -0.19 0.19 0.00 -0.31 0.00 0.00 175.10 175.55 3cip s ALA 97 N -2.68 3.34 0.40 1.32 0.00 -1.26 -4.19 121.76 118.69 3cip s ALA 97 Ca 0.32 -1.45 0.31 0.00 0.00 0.00 0.00 51.96 51.15 3cip s ALA 97 Cb 0.03 -2.49 1.60 0.00 0.00 0.00 0.00 23.12 22.26 3cip s ALA 97 CO 0.16 -1.01 2.11 -1.00 0.00 0.00 0.00 175.76 176.02 3cip h PRO 98 N 8.40 0.00 0.00 0.00 0.13 -1.92 -0.71 132.00 137.90 3cip h PRO 98 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3cip h PRO 98 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3cip h PRO 98 CO 0.63 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 3cip n GLU 99 N -3.45 0.07 0.00 0.86 0.00 -1.22 -2.31 120.64 114.59 3cip n GLU 99 Ca -0.02 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.82 3cip n GLU 99 Cb 0.22 -1.72 0.14 0.00 0.00 0.00 0.00 31.44 30.08 3cip n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3cip n GLU 100 N -1.86 2.16 -3.97 3.44 -0.58 -0.27 -4.22 120.64 115.33 3cip n GLU 100 Ca -0.00 -1.74 -0.16 0.00 -0.42 0.00 0.00 57.16 54.83 3cip n GLU 100 Cb 0.03 -1.46 -0.16 0.00 -0.57 0.00 0.00 31.44 29.28 3cip n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3cip s HIS 101 N -2.04 0.31 0.47 -0.32 3.76 -0.98 -4.76 115.29 111.73 3cip s HIS 101 Ca 0.28 -0.02 -0.25 0.00 -0.15 0.00 0.00 55.06 54.92 3cip s HIS 101 Cb 0.20 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 33.47 3cip s HIS 101 CO 0.33 -0.09 1.43 -2.14 -0.85 0.00 0.00 174.74 173.42 3cip s PRO 102 N 0.69 3.58 -0.11 8.40 0.02 -1.26 -4.16 135.00 142.15 3cip s PRO 102 Ca -0.07 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.38 3cip s PRO 102 Cb -0.10 -2.59 0.02 0.00 0.02 0.00 0.00 34.50 31.85 3cip s PRO 102 CO -0.01 -0.91 -0.11 0.08 -0.33 0.00 0.00 177.00 175.72 3cip s VAL 103 N -1.21 1.24 -0.25 3.83 1.01 -0.41 -1.04 120.40 123.57 3cip s VAL 103 Ca 0.63 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 3cip s VAL 103 Cb -0.44 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3cip s VAL 103 CO 0.56 0.40 0.37 -0.22 0.00 0.00 0.00 175.10 176.20 3cip s LEU 104 N 1.33 4.07 0.13 3.92 2.96 0.26 -1.70 118.68 129.66 3cip s LEU 104 Ca -0.01 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 3cip s LEU 104 Cb -0.14 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3cip s LEU 104 CO -0.05 -0.15 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.02 3cip s LEU 105 N 1.85 3.22 0.26 -0.68 1.43 0.10 -0.74 118.68 124.11 3cip s LEU 105 Ca 0.15 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3cip s LEU 105 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3cip s LEU 105 CO 0.09 0.14 0.23 0.42 0.23 0.00 0.00 176.35 177.47 3cip s THR 106 N -1.44 4.46 0.04 5.49 -4.23 -0.85 -1.31 115.64 117.81 3cip s THR 106 Ca 0.25 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 3cip s THR 106 Cb -0.10 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 3cip s THR 106 CO 0.16 -0.33 0.03 -1.83 -0.54 0.00 0.00 174.62 172.11 3cip s GLU 107 N -3.88 0.56 0.64 3.99 -1.05 -0.25 -4.54 118.70 114.15 3cip s GLU 107 Ca 0.34 -0.92 -0.16 0.00 -0.15 0.00 0.00 54.97 54.08 3cip s GLU 107 Cb -0.08 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.81 3cip s GLU 107 CO 0.26 -0.12 1.14 0.00 0.95 0.00 0.00 175.26 177.49 3cip s ALA 108 N -2.97 2.47 0.37 -0.84 0.00 -1.26 -1.09 121.76 118.44 3cip s ALA 108 Ca -0.02 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 3cip s ALA 108 Cb 0.01 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 3cip s ALA 108 CO -0.06 -1.25 1.46 -2.30 0.00 0.00 0.00 175.76 173.61 3cip n PRO 109 N -2.13 2.58 -2.12 0.00 -0.02 -1.26 -2.20 135.00 129.85 3cip n PRO 109 Ca 0.11 0.90 -0.18 0.00 -2.02 0.00 0.00 63.50 62.32 3cip n PRO 109 Cb 0.51 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3cip n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cip n LEU 110 N 0.57 -1.69 -4.66 2.45 4.77 -1.26 -4.95 117.00 112.23 3cip n LEU 110 Ca 0.02 0.12 -0.49 0.00 -0.03 0.00 0.00 56.01 55.62 3cip n LEU 110 Cb 0.38 -2.63 -0.05 0.00 -2.33 0.00 0.00 43.42 38.79 3cip n LEU 110 CO 0.64 -0.41 1.21 -3.20 -1.33 0.00 0.00 177.39 174.30 3cip n ASN 111 N -1.35 2.74 -4.66 -1.43 5.15 -0.94 -4.88 115.26 109.89 3cip n ASN 111 Ca -0.21 1.06 -0.40 0.00 -0.60 0.00 0.00 54.58 54.43 3cip n ASN 111 Cb 0.65 -1.32 0.02 0.00 -0.53 0.00 0.00 39.78 38.60 3cip n ASN 111 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3cip n PRO 112 N 4.22 1.51 -0.22 1.20 -0.02 -1.26 -4.79 135.00 135.64 3cip n PRO 112 Ca 0.20 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 62.25 3cip n PRO 112 Cb 0.25 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.61 3cip n PRO 112 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3cip h LYS 113 N 1.54 0.13 -0.41 -0.52 3.64 -2.01 -0.47 116.57 118.48 3cip h LYS 113 Ca -0.47 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3cip h LYS 113 Cb 1.32 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3cip h LYS 113 CO 0.57 0.09 0.16 0.00 -2.27 0.00 0.00 179.45 177.99 3cip h ALA 114 N 1.60 1.51 -0.42 5.00 0.00 -2.00 -2.46 119.26 122.49 3cip h ALA 114 Ca 0.35 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3cip h ALA 114 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3cip h ALA 114 CO -0.55 0.38 -0.26 -0.91 0.00 0.00 0.00 179.25 177.90 3cip h ASN 115 N 0.57 0.96 -0.85 0.00 4.21 -1.45 -0.83 115.58 118.19 3cip h ASN 115 Ca 0.14 -0.42 -0.03 0.00 1.21 0.00 0.00 56.30 57.20 3cip h ASN 115 Cb 0.13 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.02 3cip h ASN 115 CO -0.01 1.18 0.43 0.03 -1.29 0.00 0.00 177.43 177.76 3cip h ARG 116 N 0.75 1.21 -0.51 0.81 3.08 -1.13 -1.31 114.38 117.28 3cip h ARG 116 Ca 0.09 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3cip h ARG 116 Cb 0.84 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3cip h ARG 116 CO 0.07 0.91 0.06 0.93 -1.07 0.00 0.00 179.97 180.87 3cip h GLU 117 N 1.20 0.87 -0.62 0.04 5.08 -1.30 -2.50 114.58 117.35 3cip h GLU 117 Ca 0.29 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3cip h GLU 117 Cb 0.09 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3cip h GLU 117 CO -0.04 0.87 0.19 -0.22 -1.00 0.00 0.00 179.01 178.81 3cip h LYS 118 N 0.74 0.96 -0.56 2.33 1.63 -0.80 0.11 116.57 120.98 3cip h LYS 118 Ca 0.15 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 3cip h LYS 118 Cb 0.44 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3cip h LYS 118 CO 0.02 0.85 0.12 0.00 -3.45 0.00 0.00 179.45 176.98 3cip h MET 119 N 0.88 0.87 -0.15 1.90 -0.00 -1.20 -0.09 114.93 117.14 3cip h MET 119 Ca 0.20 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 3cip h MET 119 Cb 0.29 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.76 3cip h MET 119 CO -0.01 0.79 0.02 1.15 -0.00 0.00 0.00 176.91 178.86 3cip h THR 120 N 0.83 1.23 -0.44 -0.10 2.02 -1.04 -1.80 112.91 113.61 3cip h THR 120 Ca 0.18 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.63 3cip h THR 120 Cb 0.33 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3cip h THR 120 CO 0.00 0.23 0.24 -0.61 0.37 0.00 0.00 175.52 175.75 3cip h GLN 121 N 0.03 0.46 -0.15 6.66 4.15 -0.44 -2.36 115.11 123.46 3cip h GLN 121 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3cip h GLN 121 Cb 0.33 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3cip h GLN 121 CO 0.00 0.31 0.09 0.82 -1.93 0.00 0.00 178.83 178.12 3cip h ILE 122 N 0.48 1.02 -0.39 2.39 2.04 -0.93 0.13 117.51 122.24 3cip h ILE 122 Ca 0.19 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3cip h ILE 122 Cb 0.06 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3cip h ILE 122 CO -0.11 0.03 0.15 0.24 0.00 0.00 0.00 178.15 178.47 3cip h MET 123 N 0.19 0.32 0.03 2.37 2.86 -1.07 0.20 114.93 119.82 3cip h MET 123 Ca 0.06 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 3cip h MET 123 Cb -0.01 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.59 3cip h MET 123 CO -0.02 0.21 -0.65 0.74 1.06 0.00 0.00 176.91 178.24 3cip h PHE 124 N 0.32 0.59 0.18 -0.22 0.04 -1.31 -1.31 116.94 115.24 3cip h PHE 124 Ca 0.18 -0.35 -0.34 0.00 2.80 0.00 0.00 57.97 60.26 3cip h PHE 124 Cb 0.14 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.24 3cip h PHE 124 CO -0.13 1.18 -1.72 0.93 -0.60 0.00 0.00 178.31 177.97 3cip h GLU 125 N -0.16 0.38 0.00 1.51 5.08 -0.73 -2.57 114.58 118.09 3cip h GLU 125 Ca -0.09 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.55 3cip h GLU 125 Cb 1.39 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 3cip h GLU 125 CO 0.13 1.31 -0.36 1.15 -1.00 0.00 0.00 179.01 180.24 3cip h THR 126 N 0.06 1.43 -0.01 1.13 2.02 -1.09 -3.40 112.91 113.05 3cip h THR 126 Ca -0.34 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.63 3cip h THR 126 Cb 2.06 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 71.31 3cip h THR 126 CO 0.16 0.48 -0.58 0.49 0.37 0.00 0.00 175.52 176.45 3cip n PHE 127 N -4.57 0.00 -3.95 3.16 3.01 -0.98 -4.98 117.46 109.15 3cip n PHE 127 Ca -0.16 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.01 3cip n PHE 127 Cb 0.51 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.94 3cip n PHE 127 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3cip n ASN 128 N -0.74 -3.62 -4.77 4.37 5.15 -0.56 -3.36 115.26 111.73 3cip n ASN 128 Ca 0.08 -0.85 -0.41 0.00 -0.60 0.00 0.00 54.58 52.80 3cip n ASN 128 Cb 0.39 -3.62 -0.01 0.00 -0.53 0.00 0.00 39.78 36.01 3cip n ASN 128 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3cip s THR 129 N -3.41 2.19 0.14 -0.44 -4.23 -0.79 -4.08 115.64 105.01 3cip s THR 129 Ca 0.53 0.18 0.32 0.00 -1.18 0.00 0.00 61.69 61.54 3cip s THR 129 Cb -0.27 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 70.81 3cip s THR 129 CO 0.85 0.04 1.97 1.55 -0.54 0.00 0.00 174.62 178.49 3cip h PRO 130 N 3.54 0.00 -1.89 3.99 0.13 -1.73 -3.42 132.00 132.61 3cip h PRO 130 Ca -0.50 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 3cip h PRO 130 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 3cip h PRO 130 CO 0.68 0.05 0.46 0.00 -0.23 0.00 0.00 178.00 178.96 3cip s ALA 131 N -3.70 -1.86 0.09 -0.56 0.00 -1.26 -1.26 121.76 113.21 3cip s ALA 131 Ca 0.01 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 3cip s ALA 131 Cb 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3cip s ALA 131 CO 0.56 -0.45 0.29 1.41 0.00 0.00 0.00 175.76 177.57 3cip s MET 132 N -1.80 0.92 -0.04 0.00 1.75 -0.24 -1.28 119.30 118.62 3cip s MET 132 Ca -0.01 -0.79 -0.19 0.00 -1.25 0.00 0.00 55.69 53.45 3cip s MET 132 Cb -0.01 0.39 0.04 0.00 2.84 0.00 0.00 34.83 38.10 3cip s MET 132 CO -0.01 -0.32 0.43 -0.47 -0.65 0.00 0.00 175.02 174.00 3cip s TYR 133 N -3.62 -0.35 -0.06 4.11 6.14 -0.69 -0.63 117.35 122.26 3cip s TYR 133 Ca 0.03 0.60 0.03 0.00 0.64 0.00 0.00 57.07 58.37 3cip s TYR 133 Cb 0.03 0.19 0.01 0.00 0.42 0.00 0.00 41.96 42.61 3cip s TYR 133 CO -0.10 -0.44 -0.13 0.54 0.64 0.00 0.00 175.55 176.06 3cip s VAL 134 N -1.13 1.19 0.05 3.14 0.11 -1.26 -0.73 120.40 121.78 3cip s VAL 134 Ca -0.11 -0.53 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 3cip s VAL 134 Cb -0.04 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3cip s VAL 134 CO 0.05 0.36 -0.20 0.00 -3.33 0.00 0.00 175.10 171.98 3cip s ALA 135 N 0.49 1.74 0.04 1.54 0.00 -0.43 -4.75 121.76 120.39 3cip s ALA 135 Ca -0.12 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 3cip s ALA 135 Cb -0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 3cip s ALA 135 CO 0.03 0.38 1.33 0.42 0.00 0.00 0.00 175.76 177.93 3cip s ILE 136 N -0.84 3.74 0.16 0.00 1.01 -1.26 -1.09 121.20 122.91 3cip s ILE 136 Ca 0.07 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 61.68 3cip s ILE 136 Cb -0.09 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.66 3cip s ILE 136 CO 0.02 0.05 1.60 1.56 0.00 0.00 0.00 174.94 178.17 3cip h GLN 137 N 7.27 -0.26 -0.94 2.79 4.20 -1.44 -1.81 115.11 124.92 3cip h GLN 137 Ca -0.40 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.41 3cip h GLN 137 Cb 1.19 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 3cip h GLN 137 CO 0.87 -0.17 0.61 0.00 -0.67 0.00 0.00 178.83 179.46 3cip h ALA 138 N 0.71 1.50 -0.44 3.87 0.00 -1.92 -1.87 119.26 121.11 3cip h ALA 138 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3cip h ALA 138 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3cip h ALA 138 CO -0.50 0.34 0.14 0.28 0.00 0.00 0.00 179.25 179.51 3cip h VAL 139 N 1.05 1.22 -0.93 0.00 2.07 -1.74 -1.06 116.25 116.87 3cip h VAL 139 Ca 0.42 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3cip h VAL 139 Cb 0.25 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3cip h VAL 139 CO -0.17 0.26 0.59 -0.07 0.02 0.00 0.00 177.57 178.20 3cip h LEU 140 N 0.57 0.96 -0.86 2.57 3.38 -0.87 -1.15 115.31 119.92 3cip h LEU 140 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3cip h LEU 140 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3cip h LEU 140 CO -0.01 0.64 0.40 0.28 0.09 0.00 0.00 178.44 179.84 3cip h SER 141 N 1.11 1.12 -0.22 -0.43 0.02 -0.78 -0.10 113.55 114.27 3cip h SER 141 Ca 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3cip h SER 141 Cb 0.09 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3cip h SER 141 CO -0.15 0.94 0.09 0.25 -1.14 0.00 0.00 176.83 176.82 3cip h LEU 142 N 1.22 0.30 -0.82 5.07 5.85 -0.42 -2.32 115.31 124.19 3cip h LEU 142 Ca 0.29 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3cip h LEU 142 Cb 0.13 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3cip h LEU 142 CO -0.04 0.38 0.54 1.88 -0.34 0.00 0.00 178.44 180.86 3cip h TYR 143 N 0.20 1.01 -0.02 1.25 0.99 -0.89 -0.86 116.97 118.64 3cip h TYR 143 Ca 0.07 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.83 3cip h TYR 143 Cb 0.18 -0.34 -0.00 0.00 1.00 0.00 0.00 36.73 37.57 3cip h TYR 143 CO -0.01 0.60 0.02 0.00 -0.00 0.00 0.00 178.16 178.77 3cip h ALA 144 N 1.33 1.70 -0.09 3.88 0.00 -0.59 0.46 119.26 125.94 3cip h ALA 144 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3cip h ALA 144 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3cip h ALA 144 CO -0.09 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 3cip n SER 145 N -4.04 1.26 -1.10 0.00 3.41 -0.34 -4.93 113.62 107.88 3cip n SER 145 Ca -0.02 -1.57 -0.06 0.00 -0.26 0.00 0.00 58.87 56.96 3cip n SER 145 Cb 0.11 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3cip n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cip n GLY 146 N 1.08 0.48 3.08 5.00 0.00 0.15 -5.05 105.19 109.93 3cip n GLY 146 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 3cip n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cip s ARG 147 N -5.06 0.57 -0.01 1.61 0.52 -1.14 -5.04 118.95 110.40 3cip s ARG 147 Ca 0.11 -0.87 0.13 0.00 -0.52 0.00 0.00 55.73 54.58 3cip s ARG 147 Cb -0.05 -0.23 -0.17 0.00 0.52 0.00 0.00 34.95 35.02 3cip s ARG 147 CO 0.13 0.03 0.39 0.25 0.02 0.00 0.00 175.30 176.12 3cip n THR 148 N 1.16 0.00 -4.53 0.02 -2.24 -1.26 -3.82 114.28 103.61 3cip n THR 148 Ca -0.21 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 3cip n THR 148 Cb 0.56 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 3cip n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3cip s THR 149 N -2.58 0.97 0.00 4.28 2.01 -1.26 -0.22 115.64 118.84 3cip s THR 149 Ca -0.01 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.51 3cip s THR 149 Cb 0.09 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3cip s THR 149 CO 0.53 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 3cip n GLY 150 N 3.10 -0.25 3.25 4.40 0.00 -0.51 -4.86 105.19 110.32 3cip n GLY 150 Ca -0.17 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3cip n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cip s ILE 151 N -2.00 2.48 -0.19 -0.61 2.07 -0.41 -0.58 121.20 121.95 3cip s ILE 151 Ca 0.00 -0.85 -0.12 0.00 -1.41 0.00 0.00 60.65 58.27 3cip s ILE 151 Cb 0.00 -2.02 -0.05 0.00 0.13 0.00 0.00 42.46 40.53 3cip s ILE 151 CO 0.00 0.53 0.23 -0.69 -1.91 0.00 0.00 174.94 173.10 3cip s VAL 152 N 0.66 5.33 -0.49 4.00 1.01 -0.49 -0.69 120.40 129.74 3cip s VAL 152 Ca -0.09 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 3cip s VAL 152 Cb -0.16 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.75 3cip s VAL 152 CO 0.02 0.38 0.40 -0.32 0.00 0.00 0.00 175.10 175.58 3cip s MET 153 N 0.67 2.84 -0.34 2.72 1.75 0.22 -0.65 119.30 126.51 3cip s MET 153 Ca 0.12 -1.55 -0.05 0.00 -1.25 0.00 0.00 55.69 52.96 3cip s MET 153 Cb -0.13 -4.09 0.06 0.00 2.84 0.00 0.00 34.83 33.50 3cip s MET 153 CO 0.03 -1.14 0.10 0.34 -0.65 0.00 0.00 175.02 173.69 3cip s ASP 154 N 2.86 5.19 -0.16 1.11 3.68 -0.18 -1.23 116.67 127.94 3cip s ASP 154 Ca 0.04 -1.34 -0.00 0.00 2.13 0.00 0.00 52.55 53.38 3cip s ASP 154 Cb -0.26 -1.82 0.04 0.00 -1.45 0.00 0.00 42.92 39.43 3cip s ASP 154 CO 0.03 -0.35 -0.07 -0.55 0.13 0.00 0.00 175.17 174.36 3cip s SER 155 N 1.47 2.80 0.00 -0.34 0.15 -0.07 -0.73 113.70 116.98 3cip s SER 155 Ca -0.01 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.01 3cip s SER 155 Cb -0.20 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 3cip s SER 155 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3cip n GLY 156 N 4.85 1.97 0.06 9.45 0.00 -1.16 -1.18 105.19 119.19 3cip n GLY 156 Ca -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3cip n GLY 156 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3cip h ASP 157 N 0.00 0.00 0.00 1.61 3.58 -1.96 0.43 116.42 120.07 3cip h ASP 157 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3cip h ASP 157 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3cip h ASP 157 CO 0.00 0.58 -0.32 0.61 -2.88 0.00 0.00 179.24 177.23 3cip n GLY 158 N 1.73 0.67 3.11 -0.78 0.00 -1.26 -0.64 105.19 108.02 3cip n GLY 158 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3cip n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cip s VAL 159 N -1.30 0.12 -0.19 1.61 -7.23 -1.26 -3.53 120.40 108.62 3cip s VAL 159 Ca 0.00 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3cip s VAL 159 Cb 0.00 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.17 3cip s VAL 159 CO 0.00 -0.56 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.63 3cip s SER 160 N -1.97 3.43 0.07 4.85 0.01 -0.17 -2.98 113.70 116.93 3cip s SER 160 Ca -0.07 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.58 3cip s SER 160 Cb -0.03 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 3cip s SER 160 CO -0.03 -0.02 0.06 -1.00 0.41 0.00 0.00 173.24 172.67 3cip s HIS 161 N 1.32 3.16 -0.19 2.43 3.76 0.09 -0.62 115.29 125.24 3cip s HIS 161 Ca 0.04 0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3cip s HIS 161 Cb -0.14 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.95 3cip s HIS 161 CO -0.11 0.51 -0.16 0.95 -0.85 0.00 0.00 174.74 175.08 3cip s THR 162 N -1.35 2.36 -0.32 1.30 -4.23 -0.28 -1.01 115.64 112.11 3cip s THR 162 Ca 0.28 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3cip s THR 162 Cb -0.12 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.81 3cip s THR 162 CO 0.20 0.51 0.10 -0.69 -0.54 0.00 0.00 174.62 174.21 3cip s VAL 163 N 1.33 1.15 0.26 2.29 1.01 0.18 -1.72 120.40 124.90 3cip s VAL 163 Ca 0.05 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 3cip s VAL 163 Cb -0.13 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3cip s VAL 163 CO -0.11 -0.68 1.10 -2.16 0.00 0.00 0.00 175.10 173.25 3cip s PRO 164 N 1.41 4.63 -0.03 2.72 0.05 -1.26 -1.40 135.00 141.12 3cip s PRO 164 Ca 0.11 1.79 0.01 0.00 0.05 0.00 0.00 61.00 62.95 3cip s PRO 164 Cb -0.18 -3.21 0.02 0.00 0.05 0.00 0.00 34.50 31.18 3cip s PRO 164 CO -0.21 0.18 -0.03 0.42 0.05 0.00 0.00 177.00 177.41 3cip s ILE 165 N -0.96 0.38 -0.11 0.56 1.01 0.25 -1.00 121.20 121.34 3cip s ILE 165 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3cip s ILE 165 Cb -0.31 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 41.77 3cip s ILE 165 CO 0.40 0.17 -0.10 -0.47 0.00 0.00 0.00 174.94 174.94 3cip s TYR 166 N 0.69 1.62 -1.59 3.97 6.14 -0.20 -1.42 117.35 126.55 3cip s TYR 166 Ca -0.08 -0.80 -0.14 0.00 0.64 0.00 0.00 57.07 56.69 3cip s TYR 166 Cb -0.11 -1.28 0.11 0.00 0.42 0.00 0.00 41.96 41.10 3cip s TYR 166 CO -0.00 -0.50 0.81 0.39 0.64 0.00 0.00 175.55 176.88 3cip n GLU 167 N 4.69 -4.08 -0.00 4.97 1.02 -0.84 -2.23 120.64 124.16 3cip n GLU 167 Ca -0.15 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 3cip n GLU 167 Cb 0.50 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 3cip n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cip n GLY 168 N -1.58 0.16 3.16 0.62 0.00 0.70 -5.00 105.19 103.24 3cip n GLY 168 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3cip n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cip s TYR 169 N -2.03 1.91 0.63 1.61 1.51 -0.95 -5.07 117.35 114.96 3cip s TYR 169 Ca 0.00 -0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 55.28 3cip s TYR 169 Cb 0.00 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3cip s TYR 169 CO 0.00 -0.22 1.23 0.00 -1.11 0.00 0.00 175.55 175.45 3cip s ALA 170 N 0.11 2.44 -0.69 3.71 0.00 -1.26 -1.04 121.76 125.03 3cip s ALA 170 Ca -0.07 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 3cip s ALA 170 Cb -0.13 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.69 3cip s ALA 170 CO 0.03 -1.37 0.61 -0.51 0.00 0.00 0.00 175.76 174.52 3cip s LEU 171 N -4.31 6.26 0.41 0.00 1.43 -0.17 -4.86 118.68 117.44 3cip s LEU 171 Ca 0.78 -2.45 0.07 0.00 -1.03 0.00 0.00 54.13 51.50 3cip s LEU 171 Cb -0.32 -2.12 0.86 0.00 0.03 0.00 0.00 46.19 44.64 3cip s LEU 171 CO 0.37 -0.61 2.05 -0.65 0.23 0.00 0.00 176.35 177.74 3cip h PRO 172 N 7.94 0.50 0.00 1.29 0.11 -1.94 0.22 132.00 140.13 3cip h PRO 172 Ca -0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3cip h PRO 172 Cb 1.04 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3cip h PRO 172 CO 0.81 0.35 0.00 1.12 -0.21 0.00 0.00 178.00 180.08 3cip h HIS 173 N 0.51 0.00 -0.10 0.65 2.07 -1.97 -2.82 115.15 113.49 3cip h HIS 173 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 3cip h HIS 173 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 3cip h HIS 173 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3cip n ALA 174 N -1.96 2.42 -2.27 6.11 0.00 0.06 -4.98 120.51 119.89 3cip n ALA 174 Ca -0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 3cip n ALA 174 Cb 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 3cip n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cip s ILE 175 N -1.09 3.71 0.39 0.00 1.01 -1.07 -4.51 121.20 119.64 3cip s ILE 175 Ca 0.18 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.14 3cip s ILE 175 Cb 0.12 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 3cip s ILE 175 CO 0.17 0.12 0.05 -0.76 0.00 0.00 0.00 174.94 174.52 3cip s LEU 176 N 0.80 2.37 -0.08 2.97 1.43 -0.70 -5.00 118.68 120.48 3cip s LEU 176 Ca 0.59 -1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 3cip s LEU 176 Cb -0.32 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.38 3cip s LEU 176 CO 0.31 -0.65 0.33 0.00 0.23 0.00 0.00 176.35 176.57 3cip s ARG 177 N -3.81 0.51 -0.19 1.70 1.70 -1.26 -1.13 118.95 116.47 3cip s ARG 177 Ca 0.30 0.20 -0.04 0.00 -0.47 0.00 0.00 55.73 55.71 3cip s ARG 177 Cb 0.07 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3cip s ARG 177 CO 0.14 -0.10 -0.03 -1.17 -1.08 0.00 0.00 175.30 173.06 3cip s LEU 178 N -0.44 3.16 -1.24 -1.89 2.96 0.21 -5.00 118.68 116.44 3cip s LEU 178 Ca -0.06 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3cip s LEU 178 Cb -0.04 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.88 3cip s LEU 178 CO 0.02 0.08 2.71 0.47 -1.32 0.00 0.00 176.35 178.32 3cip n ASP 179 N 4.11 7.93 -3.68 3.68 8.00 -1.26 -1.00 116.55 134.32 3cip n ASP 179 Ca -0.17 -2.91 -0.09 0.00 0.71 0.00 0.00 54.79 52.33 3cip n ASP 179 Cb 0.52 -1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 3cip n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3cip s LEU 180 N -1.22 -0.41 0.00 0.64 0.20 -1.23 -4.92 118.68 111.74 3cip s LEU 180 Ca 0.61 1.05 0.00 0.00 0.69 0.00 0.00 54.13 56.48 3cip s LEU 180 Cb 0.21 1.57 0.00 0.00 -0.43 0.00 0.00 46.19 47.54 3cip s LEU 180 CO -0.09 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.76 3cip n ALA 181 N 4.58 0.00 -0.18 5.97 0.00 -1.25 -3.55 120.51 126.08 3cip n ALA 181 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 3cip n ALA 181 Cb 0.54 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.20 3cip n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cip h GLY 182 N 0.00 0.99 1.53 0.00 0.00 -0.32 -1.54 103.07 103.73 3cip h GLY 182 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 3cip h GLY 182 CO 0.00 0.46 -0.19 0.07 0.00 0.00 0.00 176.54 176.88 3cip h ARG 183 N 0.92 0.55 -0.33 4.80 0.11 -1.11 0.34 114.38 119.66 3cip h ARG 183 Ca 0.22 -0.19 -0.12 0.00 0.10 0.00 0.00 59.98 59.99 3cip h ARG 183 Cb 0.12 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 3cip h ARG 183 CO -0.03 0.71 -0.29 -0.44 0.10 0.00 0.00 179.97 180.02 3cip h ASP 184 N 0.50 0.73 -0.54 0.08 5.19 -1.51 -0.88 116.42 120.00 3cip h ASP 184 Ca 0.08 -0.29 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 3cip h ASP 184 Cb 0.60 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3cip h ASP 184 CO 0.04 0.98 -0.09 -0.07 -3.12 0.00 0.00 179.24 176.98 3cip h LEU 185 N 0.60 1.01 -0.24 1.55 3.38 -0.73 0.38 115.31 121.27 3cip h LEU 185 Ca 0.07 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3cip h LEU 185 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3cip h LEU 185 CO 0.07 1.11 0.15 0.74 0.09 0.00 0.00 178.44 180.60 3cip h THR 186 N 0.91 1.08 -0.59 0.22 2.02 -0.74 0.31 112.91 116.11 3cip h THR 186 Ca 0.15 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3cip h THR 186 Cb 0.65 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3cip h THR 186 CO 0.04 0.07 0.33 0.44 0.37 0.00 0.00 175.52 176.77 3cip h ASP 187 N 0.31 0.71 -0.15 4.18 3.32 -0.96 -0.83 116.42 123.01 3cip h ASP 187 Ca 0.09 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3cip h ASP 187 Cb -0.01 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.37 3cip h ASP 187 CO -0.02 0.57 -0.51 0.22 -1.72 0.00 0.00 179.24 177.79 3cip h TYR 188 N 0.81 0.80 -0.69 4.55 3.20 -0.56 -1.88 116.97 123.20 3cip h TYR 188 Ca 0.21 -0.33 0.08 0.00 3.14 0.00 0.00 58.73 61.83 3cip h TYR 188 Cb 0.01 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.08 3cip h TYR 188 CO 0.00 1.11 0.35 1.98 -1.64 0.00 0.00 178.16 179.96 3cip h MET 189 N 0.26 0.59 -0.54 1.82 4.05 -0.65 0.25 114.93 120.71 3cip h MET 189 Ca -0.02 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.44 3cip h MET 189 Cb 1.14 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.74 3cip h MET 189 CO 0.11 0.39 0.17 1.98 0.23 0.00 0.00 176.91 179.79 3cip h MET 190 N 0.61 0.33 -0.09 0.39 1.85 -1.00 -0.64 114.93 116.38 3cip h MET 190 Ca 0.33 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.39 3cip h MET 190 Cb 0.32 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.27 3cip h MET 190 CO -0.25 0.22 0.00 -0.22 -0.40 0.00 0.00 176.91 176.26 3cip h LYS 191 N 0.34 0.16 0.00 0.39 3.64 -0.45 -3.07 116.57 117.59 3cip h LYS 191 Ca 0.27 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3cip h LYS 191 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3cip h LYS 191 CO -0.29 0.42 -0.48 -0.84 -2.27 0.00 0.00 179.45 175.99 3cip h ILE 192 N -0.11 1.20 0.00 2.00 3.07 -0.86 -2.16 117.51 120.65 3cip h ILE 192 Ca 0.03 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.71 3cip h ILE 192 Cb 0.34 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 3cip h ILE 192 CO 0.00 0.47 0.00 -0.07 -1.05 0.00 0.00 178.15 177.50 3cip h LEU 193 N 0.00 0.00 -1.18 0.16 3.38 -1.08 -2.46 115.31 114.13 3cip h LEU 193 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3cip h LEU 193 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3cip h LEU 193 CO 0.06 0.00 -0.38 0.71 0.09 0.00 0.00 178.44 178.92 3cip h THR 194 N 0.00 1.28 -0.72 0.22 1.35 -1.29 -2.22 112.91 111.53 3cip h THR 194 Ca 0.00 -1.34 0.06 0.00 -0.55 0.00 0.00 66.41 64.58 3cip h THR 194 Cb 0.33 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 3cip h THR 194 CO 0.00 0.39 0.47 -0.33 -0.25 0.00 0.00 175.52 175.80 3cip h GLU 195 N 0.05 0.73 0.00 4.72 5.08 -1.54 0.16 114.58 123.79 3cip h GLU 195 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3cip h GLU 195 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3cip h GLU 195 CO 0.05 0.48 -0.01 0.54 -1.00 0.00 0.00 179.01 179.07 3cip n ARG 196 N -4.48 0.09 0.00 2.33 1.74 -1.09 -4.92 116.66 110.33 3cip n ARG 196 Ca 0.10 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3cip n ARG 196 Cb 0.22 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3cip n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cip n GLY 197 N 1.43 1.05 3.49 -0.13 0.00 0.05 -5.07 105.19 106.00 3cip n GLY 197 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3cip n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cip s TYR 198 N -2.00 3.23 -0.35 1.61 4.12 -0.86 -4.98 117.35 118.12 3cip s TYR 198 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 57.07 56.48 3cip s TYR 198 Cb 0.00 -2.59 -0.00 0.00 -1.52 0.00 0.00 41.96 37.85 3cip s TYR 198 CO 0.00 -0.53 0.49 -1.54 0.02 0.00 0.00 175.55 173.99 3cip s SER 199 N 1.71 6.29 -0.22 2.29 1.04 -1.26 -3.19 113.70 120.36 3cip s SER 199 Ca 0.06 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.43 3cip s SER 199 Cb -0.18 -2.26 0.04 0.00 0.10 0.00 0.00 66.02 63.72 3cip s SER 199 CO 0.11 -0.46 -0.15 -0.36 0.98 0.00 0.00 173.24 173.35 3cip s PHE 200 N 2.33 3.03 0.00 5.02 0.40 -1.26 -4.96 117.98 122.54 3cip s PHE 200 Ca 0.17 -1.98 0.00 0.00 -0.60 0.00 0.00 56.93 54.52 3cip s PHE 200 Cb -0.16 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.44 3cip s PHE 200 CO 0.13 -0.84 0.00 0.25 0.70 0.00 0.00 175.22 175.46 3cip n THR 201 N 4.53 0.00 -1.85 0.64 -2.24 -1.26 -4.81 114.28 109.29 3cip n THR 201 Ca -0.17 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 3cip n THR 201 Cb 0.46 -0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.67 3cip n THR 201 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cip s THR 202 N -1.17 1.97 0.06 4.28 -4.23 -1.26 -4.81 115.64 110.48 3cip s THR 202 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 3cip s THR 202 Cb 0.00 -2.95 -0.13 0.00 1.34 0.00 0.00 72.50 70.76 3cip s THR 202 CO 0.00 0.00 1.49 0.74 -0.54 0.00 0.00 174.62 176.31 3cip h THR 203 N -1.54 1.25 -0.76 3.99 2.02 -1.99 0.11 112.91 116.00 3cip h THR 203 Ca -0.45 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 65.92 3cip h THR 203 Cb 1.27 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 3cip h THR 203 CO 0.47 0.24 0.50 0.00 0.37 0.00 0.00 175.52 177.10 3cip h ALA 204 N 0.76 1.46 -0.45 6.16 0.00 -1.99 -0.76 119.26 124.45 3cip h ALA 204 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3cip h ALA 204 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cip h ALA 204 CO 0.01 0.50 -0.11 0.93 0.00 0.00 0.00 179.25 180.57 3cip h GLU 205 N 1.02 0.86 -0.49 0.00 5.08 -1.89 -2.26 114.58 116.90 3cip h GLU 205 Ca 0.28 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3cip h GLU 205 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3cip h GLU 205 CO -0.06 0.97 0.22 -0.09 -1.00 0.00 0.00 179.01 179.06 3cip h ARG 206 N 0.70 0.69 -0.54 2.33 2.43 -0.15 -1.36 114.38 118.48 3cip h ARG 206 Ca 0.11 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3cip h ARG 206 Cb 0.66 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3cip h ARG 206 CO 0.05 0.55 0.14 0.93 -1.51 0.00 0.00 179.97 180.12 3cip h GLU 207 N 0.69 0.83 -0.34 0.20 5.08 -0.89 0.75 114.58 120.90 3cip h GLU 207 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3cip h GLU 207 Cb 0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3cip h GLU 207 CO -0.02 0.74 0.14 0.82 -1.00 0.00 0.00 179.01 179.69 3cip h ILE 208 N 0.80 1.18 -0.62 3.13 2.04 -0.76 -0.92 117.51 122.37 3cip h ILE 208 Ca 0.18 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3cip h ILE 208 Cb 0.28 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3cip h ILE 208 CO -0.00 0.20 0.39 0.58 0.00 0.00 0.00 178.15 179.31 3cip h VAL 209 N 0.41 1.09 -0.67 1.67 2.07 -0.69 0.30 116.25 120.43 3cip h VAL 209 Ca 0.12 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3cip h VAL 209 Cb 0.17 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 3cip h VAL 209 CO -0.01 0.14 0.38 -0.09 0.02 0.00 0.00 177.57 178.01 3cip h ARG 210 N 0.77 0.69 -0.71 1.57 2.43 -0.72 0.08 114.38 118.49 3cip h ARG 210 Ca 0.24 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3cip h ARG 210 Cb -0.00 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3cip h ARG 210 CO -0.09 0.46 0.30 0.22 -1.51 0.00 0.00 179.97 179.35 3cip h ASP 211 N 0.72 0.96 -0.33 -3.80 -0.00 -0.43 0.27 116.42 113.80 3cip h ASP 211 Ca 0.29 -0.16 0.01 0.00 -0.00 0.00 0.00 57.03 57.17 3cip h ASP 211 Cb 0.15 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.21 3cip h ASP 211 CO -0.17 0.85 0.21 0.40 -0.00 0.00 0.00 179.24 180.54 3cip h ILE 212 N 1.00 1.06 -0.44 2.25 2.04 -0.44 0.55 117.51 123.54 3cip h ILE 212 Ca 0.24 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3cip h ILE 212 Cb 0.18 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3cip h ILE 212 CO -0.02 0.08 0.15 0.50 0.00 0.00 0.00 178.15 178.85 3cip h LYS 213 N 0.43 0.31 0.00 2.37 3.64 -0.62 0.09 116.57 122.77 3cip h LYS 213 Ca 0.12 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3cip h LYS 213 Cb -0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3cip h LYS 213 CO -0.04 0.20 -0.68 0.93 -2.27 0.00 0.00 179.45 177.59 3cip h GLU 214 N 0.32 0.00 0.01 1.90 5.08 -0.52 -3.02 114.58 118.34 3cip h GLU 214 Ca 0.21 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.22 3cip h GLU 214 Cb 0.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3cip h GLU 214 CO -0.21 0.68 -2.17 1.63 -1.00 0.00 0.00 179.01 177.94 3cip n LYS 215 N -3.65 0.67 -0.00 2.33 5.02 0.15 -4.74 118.16 117.94 3cip n LYS 215 Ca -0.01 0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.42 3cip n LYS 215 Cb 0.69 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3cip n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cip n LEU 216 N -2.97 0.04 -4.84 -0.35 4.77 0.00 -5.05 117.00 108.61 3cip n LEU 216 Ca -0.30 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.16 3cip n LEU 216 Cb 1.10 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3cip n LEU 216 CO 0.41 0.01 0.70 0.00 -1.33 0.00 0.00 177.39 177.19 3cip s ALA 217 N -1.77 2.98 0.13 -1.18 0.00 -1.14 -4.82 121.76 115.96 3cip s ALA 217 Ca -0.00 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 3cip s ALA 217 Cb 0.02 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.06 3cip s ALA 217 CO 0.10 -0.57 0.50 1.52 0.00 0.00 0.00 175.76 177.31 3cip s TYR 218 N -2.81 -0.38 -0.25 0.00 -0.85 -0.57 -4.39 117.35 108.10 3cip s TYR 218 Ca 0.58 0.14 -0.17 0.00 -0.52 0.00 0.00 57.07 57.11 3cip s TYR 218 Cb -0.12 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 3cip s TYR 218 CO 0.42 -0.77 0.45 0.08 -1.52 0.00 0.00 175.55 174.21 3cip s VAL 219 N -3.67 5.13 0.26 -3.49 1.01 0.05 -3.91 120.40 115.77 3cip s VAL 219 Ca 0.01 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3cip s VAL 219 Cb 0.00 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3cip s VAL 219 CO -0.12 0.15 1.30 0.00 0.00 0.00 0.00 175.10 176.43 3cip s ALA 220 N 1.99 3.51 0.12 5.51 0.00 -1.26 -4.52 121.76 127.12 3cip s ALA 220 Ca 0.19 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 3cip s ALA 220 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3cip s ALA 220 CO 0.09 -0.55 1.54 1.25 0.00 0.00 0.00 175.76 178.10 3cip h LEU 221 N 4.53 0.70 -7.45 0.00 5.85 -1.97 -3.39 115.31 113.58 3cip h LEU 221 Ca -0.46 -0.34 -0.62 0.00 0.84 0.00 0.00 57.88 57.30 3cip h LEU 221 Cb 1.22 -0.19 -0.40 0.00 0.37 0.00 0.00 40.66 41.66 3cip h LEU 221 CO 0.72 0.87 -0.75 -0.62 -0.34 0.00 0.00 178.44 178.33 3cip s ASP 222 N -6.26 4.28 0.11 1.25 -1.08 -1.26 -4.93 116.67 108.78 3cip s ASP 222 Ca -0.13 -1.75 -0.18 0.00 -0.52 0.00 0.00 52.55 49.97 3cip s ASP 222 Cb 0.10 -1.22 -0.05 0.00 -1.46 0.00 0.00 42.92 40.29 3cip s ASP 222 CO 0.80 -0.37 1.69 0.15 0.52 0.00 0.00 175.17 177.96 3cip h PHE 223 N 7.88 0.39 -0.08 -5.34 3.57 -2.00 -0.00 116.94 121.37 3cip h PHE 223 Ca -0.11 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.39 3cip h PHE 223 Cb 1.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3cip h PHE 223 CO 0.42 0.36 -0.03 0.93 -2.23 0.00 0.00 178.31 177.77 3cip h GLU 224 N 0.30 -0.01 -0.85 1.11 4.39 -1.97 -0.39 114.58 117.16 3cip h GLU 224 Ca 0.09 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.83 3cip h GLU 224 Cb 0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 3cip h GLU 224 CO -0.01 -0.01 0.56 0.00 -1.16 0.00 0.00 179.01 178.39 3cip h ALA 225 N 1.06 1.48 -0.64 3.43 0.00 -1.96 -0.97 119.26 121.67 3cip h ALA 225 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3cip h ALA 225 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3cip h ALA 225 CO -0.09 0.43 0.04 1.49 0.00 0.00 0.00 179.25 181.13 3cip h GLU 226 N 1.05 1.10 -0.56 0.00 4.57 -0.41 -1.21 114.58 119.12 3cip h GLU 226 Ca 0.34 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3cip h GLU 226 Cb 0.04 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3cip h GLU 226 CO -0.10 1.04 0.14 0.52 -1.18 0.00 0.00 179.01 179.43 3cip h MET 227 N 1.01 0.89 0.01 1.92 2.86 -0.39 -0.04 114.93 121.19 3cip h MET 227 Ca 0.19 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3cip h MET 227 Cb 0.52 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3cip h MET 227 CO 0.03 0.83 -0.15 1.96 1.06 0.00 0.00 176.91 180.64 3cip h GLN 228 N 0.79 -0.24 -0.25 1.72 7.50 -1.07 -0.86 115.11 122.70 3cip h GLN 228 Ca 0.18 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.39 3cip h GLN 228 Cb 0.33 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.88 3cip h GLN 228 CO 0.00 -0.16 -0.02 1.15 -1.50 0.00 0.00 178.83 178.30 3cip h THR 229 N -0.25 0.79 -0.91 -0.54 2.02 -0.96 -1.65 112.91 111.42 3cip h THR 229 Ca 0.05 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.29 3cip h THR 229 Cb 0.31 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 3cip h THR 229 CO -0.14 0.01 0.56 0.00 0.37 0.00 0.00 175.52 176.32 3cip h ALA 230 N 1.23 1.28 0.00 6.16 0.00 -0.80 -2.59 119.26 124.53 3cip h ALA 230 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3cip h ALA 230 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3cip h ALA 230 CO -0.22 0.26 -0.19 0.00 0.00 0.00 0.00 179.25 179.10 3cip h ALA 231 N 1.45 0.94 -0.01 0.00 0.00 -0.64 -3.30 119.26 117.71 3cip h ALA 231 Ca 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3cip h ALA 231 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3cip h ALA 231 CO -0.21 0.23 -0.77 -1.13 0.00 0.00 0.00 179.25 177.38 3cip n SER 232 N -3.23 1.42 -3.40 0.00 3.41 -0.67 -5.02 113.62 106.14 3cip n SER 232 Ca 0.02 -1.20 -0.04 0.00 -0.26 0.00 0.00 58.87 57.39 3cip n SER 232 Cb 0.50 0.77 0.01 0.00 -0.26 0.00 0.00 64.21 65.23 3cip n SER 232 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cip s SER 233 N -2.78 -0.04 -0.16 4.04 1.04 -1.02 -5.03 113.70 109.75 3cip s SER 233 Ca 0.12 -0.67 0.17 0.00 0.48 0.00 0.00 55.95 56.05 3cip s SER 233 Cb 0.17 0.54 0.76 0.00 0.10 0.00 0.00 66.02 67.58 3cip s SER 233 CO 0.74 -1.05 1.67 -1.54 0.98 0.00 0.00 173.24 174.05 3cip n SER 234 N -1.07 5.12 -0.32 7.02 3.41 -1.26 -4.59 113.62 121.93 3cip n SER 234 Ca -0.04 -2.65 0.07 0.00 -0.26 0.00 0.00 58.87 55.99 3cip n SER 234 Cb 0.60 -0.62 0.27 0.00 -0.26 0.00 0.00 64.21 64.20 3cip n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cip h ALA 235 N 4.00 1.59 -0.02 7.33 0.00 -1.91 -2.44 119.26 127.81 3cip h ALA 235 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cip h ALA 235 Cb 1.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3cip h ALA 235 CO 0.33 0.20 -0.01 1.28 0.00 0.00 0.00 179.25 181.05 3cip n LEU 236 N -4.56 2.12 -4.80 0.00 4.77 -1.26 -4.94 117.00 108.32 3cip n LEU 236 Ca 0.17 -0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 55.10 3cip n LEU 236 Cb 0.33 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3cip n LEU 236 CO 0.30 0.35 0.71 -1.61 -1.33 0.00 0.00 177.39 175.81 3cip s GLU 237 N -2.01 3.92 0.02 3.23 2.02 -0.92 -4.73 118.70 120.22 3cip s GLU 237 Ca 0.33 1.35 -0.00 0.00 0.02 0.00 0.00 54.97 56.67 3cip s GLU 237 Cb 0.21 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 3cip s GLU 237 CO 0.33 -0.32 -0.03 0.15 0.02 0.00 0.00 175.26 175.40 3cip s LYS 238 N -3.11 0.30 -0.05 1.61 -0.14 0.17 -4.97 119.74 113.55 3cip s LYS 238 Ca 0.65 -0.58 -0.07 0.00 -1.36 0.00 0.00 55.97 54.61 3cip s LYS 238 Cb -0.16 0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 36.05 3cip s LYS 238 CO 0.20 -0.05 0.22 -1.12 -0.76 0.00 0.00 175.35 173.84 3cip s SER 239 N -1.39 6.47 -0.05 2.83 0.01 -1.26 -0.40 113.70 119.90 3cip s SER 239 Ca -0.15 0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.65 3cip s SER 239 Cb -0.09 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.07 3cip s SER 239 CO -0.01 0.33 -0.06 -0.47 0.41 0.00 0.00 173.24 173.44 3cip s TYR 240 N -1.16 0.92 -0.29 2.43 6.14 -0.14 -4.98 117.35 120.26 3cip s TYR 240 Ca 0.22 -0.29 -0.16 0.00 0.64 0.00 0.00 57.07 57.47 3cip s TYR 240 Cb -0.13 -0.78 -0.03 0.00 0.42 0.00 0.00 41.96 41.45 3cip s TYR 240 CO 0.11 -0.23 0.42 -2.00 0.64 0.00 0.00 175.55 174.49 3cip s GLU 241 N 0.96 3.89 0.74 4.97 2.12 -1.26 -0.80 118.70 129.32 3cip s GLU 241 Ca -0.10 -0.02 -0.12 0.00 0.36 0.00 0.00 54.97 55.09 3cip s GLU 241 Cb -0.14 -3.70 0.04 0.00 0.26 0.00 0.00 34.13 30.58 3cip s GLU 241 CO 0.00 -0.39 1.10 -0.51 -0.54 0.00 0.00 175.26 174.92 3cip s LEU 242 N 2.16 3.15 0.54 2.70 1.43 0.42 -4.92 118.68 124.16 3cip s LEU 242 Ca 0.16 1.92 0.26 0.00 -1.03 0.00 0.00 54.13 55.44 3cip s LEU 242 Cb -0.16 -4.54 1.43 0.00 0.03 0.00 0.00 46.19 42.96 3cip s LEU 242 CO 0.11 -1.97 1.99 -0.65 0.23 0.00 0.00 176.35 176.06 3cip h PRO 243 N -0.76 0.00 -0.01 1.29 0.11 -1.98 -0.84 132.00 129.82 3cip h PRO 243 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3cip h PRO 243 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3cip h PRO 243 CO 0.52 0.00 -0.66 0.38 -0.21 0.00 0.00 178.00 178.02 3cip h ASP 244 N 0.00 0.04 0.00 -2.05 -0.00 -2.04 -3.47 116.42 108.89 3cip h ASP 244 Ca 0.24 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3cip h ASP 244 Cb 1.02 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.33 3cip h ASP 244 CO -0.00 0.69 0.00 0.61 -0.00 0.00 0.00 179.24 180.54 3cip n GLY 245 N 0.38 1.80 3.67 7.15 0.00 -0.32 -5.11 105.19 112.75 3cip n GLY 245 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3cip n GLY 245 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cip n GLN 246 N 0.00 1.91 -4.18 1.61 7.27 -1.26 -4.65 117.38 118.08 3cip n GLN 246 Ca 0.00 0.67 -0.34 0.00 0.07 0.00 0.00 57.00 57.40 3cip n GLN 246 Cb 0.00 -2.21 -0.14 0.00 2.41 0.00 0.00 30.24 30.30 3cip n GLN 246 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3cip s VAL 247 N -0.92 3.49 0.30 1.69 1.01 -1.26 -0.43 120.40 124.27 3cip s VAL 247 Ca 0.58 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3cip s VAL 247 Cb -0.62 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3cip s VAL 247 CO 0.60 0.45 0.16 0.27 0.00 0.00 0.00 175.10 176.58 3cip s ILE 248 N 1.01 3.65 -0.12 2.22 -4.36 0.02 -4.93 121.20 118.68 3cip s ILE 248 Ca 0.00 -1.59 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3cip s ILE 248 Cb -0.15 -3.12 -0.01 0.00 1.25 0.00 0.00 42.46 40.44 3cip s ILE 248 CO 0.00 -0.27 -0.16 -0.89 0.24 0.00 0.00 174.94 173.86 3cip s THR 249 N -2.29 2.80 -0.14 8.37 2.01 -1.26 -0.96 115.64 124.17 3cip s THR 249 Ca 0.36 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3cip s THR 249 Cb -0.06 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3cip s THR 249 CO 0.24 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.97 3cip s ILE 250 N 0.27 3.28 0.00 1.82 -1.09 0.46 -4.96 121.20 120.98 3cip s ILE 250 Ca -0.11 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 3cip s ILE 250 Cb -0.16 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 3cip s ILE 250 CO 0.06 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3cip n GLY 251 N 3.60 1.28 0.10 6.18 0.00 -1.26 -0.65 105.19 114.43 3cip n GLY 251 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3cip n GLY 251 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cip n ASN 252 N 0.00 0.42 0.17 1.61 0.23 -1.26 -1.60 115.26 114.84 3cip n ASN 252 Ca 0.00 0.65 0.14 0.00 -0.53 0.00 0.00 54.58 54.84 3cip n ASN 252 Cb 0.00 -0.72 0.72 0.00 -2.08 0.00 0.00 39.78 37.70 3cip n ASN 252 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3cip h GLU 253 N 0.00 0.00 -0.76 -3.83 3.07 -1.96 0.01 114.58 111.11 3cip h GLU 253 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 3cip h GLU 253 Cb 0.15 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.99 3cip h GLU 253 CO 0.00 0.00 0.41 0.00 -1.40 0.00 0.00 179.01 178.02 3cip h ARG 254 N 0.00 0.66 0.00 2.33 3.08 -1.62 -2.68 114.38 116.16 3cip h ARG 254 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3cip h ARG 254 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3cip h ARG 254 CO -0.00 0.44 -1.25 1.97 -1.07 0.00 0.00 179.97 180.05 3cip n PHE 255 N -4.81 0.00 -0.03 3.04 1.16 -0.96 -1.51 117.46 114.34 3cip n PHE 255 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.67 3cip n PHE 255 Cb 0.28 -0.20 0.19 0.00 -1.61 0.00 0.00 39.48 38.15 3cip n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3cip h ARG 256 N 0.00 0.61 0.85 3.97 3.08 -0.97 -2.42 114.38 119.51 3cip h ARG 256 Ca 0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3cip h ARG 256 Cb 0.51 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.51 3cip h ARG 256 CO 0.00 0.73 -0.42 0.00 -1.07 0.00 0.00 179.97 179.21 3cip n PRO 258 N -5.13 0.14 -0.07 0.00 -0.04 -1.25 -2.53 135.00 126.13 3cip n PRO 258 Ca -0.14 0.29 0.19 0.00 -0.04 0.00 0.00 63.50 63.80 3cip n PRO 258 Cb 0.46 -1.73 0.63 0.00 -0.04 0.00 0.00 33.50 32.82 3cip n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3cip h GLU 259 N 0.00 0.13 -0.29 0.54 4.57 -1.24 -1.30 114.58 116.99 3cip h GLU 259 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3cip h GLU 259 Cb 0.43 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3cip h GLU 259 CO 0.00 0.09 0.32 0.00 -1.18 0.00 0.00 179.01 178.24 3cip h ALA 260 N 1.69 1.95 -0.49 2.92 0.00 -1.50 0.18 119.26 124.00 3cip h ALA 260 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3cip h ALA 260 Cb 1.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3cip h ALA 260 CO -0.04 -0.47 0.10 -0.07 0.00 0.00 0.00 179.25 178.77 3cip h LEU 261 N 0.00 0.70 0.00 0.00 3.38 -1.46 -2.50 115.31 115.42 3cip h LEU 261 Ca 0.14 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3cip h LEU 261 Cb 0.78 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3cip h LEU 261 CO -0.00 0.70 -1.71 0.49 0.09 0.00 0.00 178.44 178.00 3cip n PHE 262 N -4.28 0.76 -3.70 1.13 3.72 -0.19 -0.77 117.46 114.12 3cip n PHE 262 Ca 0.03 0.26 -0.28 0.00 -0.05 0.00 0.00 57.45 57.42 3cip n PHE 262 Cb 0.23 -1.07 -0.11 0.00 -0.94 0.00 0.00 39.48 37.58 3cip n PHE 262 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3cip n GLN 263 N -2.88 1.32 0.26 -1.08 6.02 0.45 -3.91 117.38 117.56 3cip n GLN 263 Ca -0.16 -4.06 0.16 0.00 -0.01 0.00 0.00 57.00 52.94 3cip n GLN 263 Cb 0.95 -2.07 0.87 0.00 1.02 0.00 0.00 30.24 31.01 3cip n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3cip h PRO 264 N 5.37 0.00 0.00 -1.09 0.11 -1.66 -1.11 132.00 133.63 3cip h PRO 264 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3cip h PRO 264 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3cip h PRO 264 CO 0.61 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.05 3cip h SER 265 N 0.00 0.00 -0.39 -2.05 4.64 -1.78 -0.04 113.55 113.92 3cip h SER 265 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3cip h SER 265 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3cip h SER 265 CO 0.00 0.01 0.35 -0.26 -0.87 0.00 0.00 176.83 176.06 3cip h PHE 266 N 0.00 0.00 -0.38 4.77 0.05 -1.50 0.00 116.94 119.88 3cip h PHE 266 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3cip h PHE 266 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.97 3cip h PHE 266 CO 0.00 0.00 0.00 1.28 -0.18 0.00 0.00 178.31 179.41 3cip n LEU 267 N -4.00 4.03 -1.16 1.54 4.77 -0.09 -4.93 117.00 117.15 3cip n LEU 267 Ca 0.07 -2.67 -0.13 0.00 -0.03 0.00 0.00 56.01 53.25 3cip n LEU 267 Cb 0.53 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3cip n LEU 267 CO 0.31 0.71 -0.14 0.61 -1.33 0.00 0.00 177.39 177.55 3cip n GLY 268 N 0.14 0.73 3.88 -0.72 0.00 -0.01 -5.02 105.19 104.18 3cip n GLY 268 Ca 0.21 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3cip n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cip s MET 269 N -3.72 3.62 0.09 1.61 -1.94 -0.82 -4.96 119.30 113.17 3cip s MET 269 Ca 0.00 -0.01 0.25 0.00 -1.71 0.00 0.00 55.69 54.22 3cip s MET 269 Cb 0.00 -3.10 0.44 0.00 2.01 0.00 0.00 34.83 34.19 3cip s MET 269 CO 0.00 0.66 1.39 0.39 -0.01 0.00 0.00 175.02 177.45 3cip n GLU 270 N 1.27 0.21 -1.72 2.03 1.02 -1.26 -2.79 120.64 119.40 3cip n GLU 270 Ca -0.12 0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 3cip n GLU 270 Cb 0.53 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 3cip n GLU 270 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3cip n SER 271 N -1.95 2.29 -4.76 1.62 7.64 -1.26 -4.98 113.62 112.22 3cip n SER 271 Ca 0.04 0.94 -0.37 0.00 1.01 0.00 0.00 58.87 60.49 3cip n SER 271 Cb 0.41 -1.54 0.02 0.00 -1.01 0.00 0.00 64.21 62.09 3cip n SER 271 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cip s ALA 272 N -1.33 2.80 1.08 -0.43 0.00 -1.26 -4.41 121.76 118.21 3cip s ALA 272 Ca 0.73 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.65 3cip s ALA 272 Cb -0.42 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 19.47 3cip s ALA 272 CO 0.48 -1.03 1.07 0.20 0.00 0.00 0.00 175.76 176.48 3cip s GLY 273 N -1.30 1.55 0.46 0.00 0.00 -1.25 -4.67 107.32 102.11 3cip s GLY 273 Ca 0.70 -0.35 0.11 0.00 0.00 0.00 0.00 44.72 45.18 3cip s GLY 273 CO 0.38 0.32 2.09 1.19 0.00 0.00 0.00 173.10 177.09 3cip h ILE 274 N -2.21 1.06 -0.46 0.90 6.09 -1.21 -0.70 117.51 120.98 3cip h ILE 274 Ca -0.57 -0.14 -0.03 0.00 -1.37 0.00 0.00 64.86 62.75 3cip h ILE 274 Cb 1.34 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 39.38 3cip h ILE 274 CO 0.55 0.06 0.16 1.12 -3.07 0.00 0.00 178.15 176.97 3cip h HIS 275 N 0.28 0.72 -0.36 2.19 2.07 -1.91 -0.94 115.15 117.19 3cip h HIS 275 Ca 0.07 -0.07 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 3cip h HIS 275 Cb -0.01 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 29.75 3cip h HIS 275 CO 0.00 0.63 -0.30 0.93 -3.07 0.00 0.00 177.93 176.13 3cip h GLU 276 N 0.60 0.77 -0.70 5.12 5.08 -1.65 -1.66 114.58 122.14 3cip h GLU 276 Ca 0.15 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3cip h GLU 276 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3cip h GLU 276 CO -0.01 0.97 0.45 1.15 -1.00 0.00 0.00 179.01 180.57 3cip h THR 277 N 0.66 1.19 -0.00 1.13 2.02 -1.03 0.19 112.91 117.06 3cip h THR 277 Ca 0.08 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3cip h THR 277 Cb 0.83 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3cip h THR 277 CO 0.07 0.19 0.00 0.74 0.37 0.00 0.00 175.52 176.89 3cip h THR 278 N 0.95 1.13 -0.43 3.16 2.02 -1.00 -1.34 112.91 117.40 3cip h THR 278 Ca 0.25 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 67.13 3cip h THR 278 Cb -0.08 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3cip h THR 278 CO -0.05 0.10 0.07 0.22 0.37 0.00 0.00 175.52 176.23 3cip h TYR 279 N -0.15 0.12 -0.96 3.16 3.20 -1.10 -1.75 116.97 119.48 3cip h TYR 279 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3cip h TYR 279 Cb 0.16 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3cip h TYR 279 CO -0.02 -0.01 0.63 -0.91 -1.64 0.00 0.00 178.16 176.21 3cip h ASN 280 N 0.20 1.10 -0.40 -2.11 2.35 -0.36 -0.10 115.58 116.27 3cip h ASN 280 Ca 0.21 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3cip h ASN 280 Cb 0.27 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3cip h ASN 280 CO -0.29 0.80 0.18 0.28 -1.65 0.00 0.00 177.43 176.76 3cip h SER 281 N 1.30 0.53 -0.76 5.81 0.02 -0.94 -2.30 113.55 117.21 3cip h SER 281 Ca 0.35 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3cip h SER 281 Cb -0.15 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.20 3cip h SER 281 CO -0.08 0.52 0.48 0.40 -1.14 0.00 0.00 176.83 177.02 3cip h ILE 282 N 0.51 1.09 0.00 3.27 2.04 -0.62 -2.15 117.51 121.64 3cip h ILE 282 Ca 0.14 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3cip h ILE 282 Cb 0.14 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3cip h ILE 282 CO -0.02 0.17 0.00 0.24 0.00 0.00 0.00 178.15 178.54 3cip h MET 283 N 0.92 0.00 0.00 2.37 2.86 -0.81 -1.75 114.93 118.52 3cip h MET 283 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3cip h MET 283 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3cip h MET 283 CO -0.13 0.00 -0.04 1.63 1.06 0.00 0.00 176.91 179.43 3cip n LYS 284 N -2.40 0.03 -3.30 1.72 5.02 -0.81 -4.88 118.16 113.54 3cip n LYS 284 Ca 0.03 0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 3cip n LYS 284 Cb 0.29 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3cip n LYS 284 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cip n ASP 286 N -1.50 1.24 -0.31 0.00 -0.08 -1.26 -4.84 116.55 109.80 3cip n ASP 286 Ca -0.03 1.13 0.25 0.00 -1.51 0.00 0.00 54.79 54.63 3cip n ASP 286 Cb 0.55 -1.04 0.56 0.00 2.34 0.00 0.00 41.12 43.53 3cip n ASP 286 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3cip h VAL 287 N 3.94 0.51 0.00 5.18 3.04 -1.94 -0.56 116.25 126.42 3cip h VAL 287 Ca -0.48 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3cip h VAL 287 Cb 1.37 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3cip h VAL 287 CO 0.82 0.06 0.00 0.44 -1.01 0.00 0.00 177.57 177.87 3cip h ASP 288 N 0.30 0.00 -0.01 3.17 3.45 -2.01 -2.85 116.42 118.47 3cip h ASP 288 Ca 0.58 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.04 3cip h ASP 288 Cb 1.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 3cip h ASP 288 CO -0.23 0.00 -0.32 2.30 -1.57 0.00 0.00 179.24 179.42 3cip n ILE 289 N -2.33 0.00 -0.09 0.35 -5.35 -0.22 -4.71 119.36 107.02 3cip n ILE 289 Ca 0.02 -0.34 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 3cip n ILE 289 Cb 0.22 1.16 0.24 0.00 -1.74 0.00 0.00 39.64 39.51 3cip n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3cip h ARG 290 N 1.50 0.73 -0.67 6.28 3.08 -1.48 -1.63 114.38 122.19 3cip h ARG 290 Ca 0.00 -0.14 0.12 0.00 0.07 0.00 0.00 59.98 60.03 3cip h ARG 290 Cb 0.48 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.33 3cip h ARG 290 CO 0.00 0.66 0.24 -0.22 -1.07 0.00 0.00 179.97 179.58 3cip h LYS 291 N 0.71 0.38 0.00 0.04 3.64 -1.84 -0.89 116.57 118.61 3cip h LYS 291 Ca 0.16 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3cip h LYS 291 Cb 0.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3cip h LYS 291 CO -0.00 0.25 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.61 3cip h ASP 292 N 0.39 0.00 0.03 4.20 3.45 -1.64 -1.94 116.42 120.91 3cip h ASP 292 Ca 0.36 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 3cip h ASP 292 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3cip h ASP 292 CO -0.37 0.38 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.59 3cip h LEU 293 N 0.00 -0.03 -1.70 1.55 3.38 -0.98 -3.12 115.31 114.41 3cip h LEU 293 Ca -0.00 -0.67 0.15 0.00 0.09 0.00 0.00 57.88 57.44 3cip h LEU 293 Cb 0.78 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3cip h LEU 293 CO 0.05 0.69 0.47 1.88 0.09 0.00 0.00 178.44 181.62 3cip h TYR 294 N -0.80 0.35 -0.08 1.13 0.05 -1.17 -1.60 116.97 114.85 3cip h TYR 294 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3cip h TYR 294 Cb 0.70 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3cip h TYR 294 CO 0.17 0.14 0.00 0.41 -1.05 0.00 0.00 178.16 177.83 3cip n GLY 295 N -1.56 -0.12 2.45 3.88 0.00 -0.74 -1.34 105.19 107.77 3cip n GLY 295 Ca 0.13 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3cip n GLY 295 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cip n ASN 296 N -0.03 -0.73 -4.52 1.61 3.02 -0.61 -4.41 115.26 109.59 3cip n ASN 296 Ca 0.17 -3.34 -0.43 0.00 -0.03 0.00 0.00 54.58 50.95 3cip n ASN 296 Cb 0.27 0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 3cip n ASN 296 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cip s VAL 297 N -1.09 4.86 -0.23 2.41 1.01 -0.46 -1.29 120.40 125.60 3cip s VAL 297 Ca 0.31 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 3cip s VAL 297 Cb 0.32 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3cip s VAL 297 CO -0.07 -0.54 0.07 -0.69 0.00 0.00 0.00 175.10 173.87 3cip s VAL 298 N 2.74 4.40 0.02 2.92 1.01 0.13 0.26 120.40 131.88 3cip s VAL 298 Ca 0.22 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3cip s VAL 298 Cb -0.14 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 3cip s VAL 298 CO 0.18 0.36 0.58 -0.76 0.00 0.00 0.00 175.10 175.47 3cip s LEU 299 N 1.35 4.46 -0.01 3.92 1.43 -0.14 -0.61 118.68 129.08 3cip s LEU 299 Ca 0.05 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.31 3cip s LEU 299 Cb -0.15 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3cip s LEU 299 CO 0.04 0.17 0.08 -0.55 0.23 0.00 0.00 176.35 176.32 3cip s SER 300 N -0.53 0.00 0.00 2.29 0.15 -0.37 -4.61 113.70 110.64 3cip s SER 300 Ca 0.30 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3cip s SER 300 Cb -0.19 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 3cip s SER 300 CO 0.18 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3cip n GLY 301 N 2.28 2.48 0.35 9.45 0.00 -0.34 -0.89 105.19 118.52 3cip n GLY 301 Ca -0.18 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.07 3cip n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cip h GLY 302 N 0.00 0.69 1.94 -0.02 0.00 -1.77 -1.64 103.07 102.27 3cip h GLY 302 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3cip h GLY 302 CO 0.00 0.14 0.00 2.41 0.00 0.00 0.00 176.54 179.09 3cip n THR 303 N -4.48 0.20 1.40 4.70 -1.04 -0.32 -1.92 114.28 112.83 3cip n THR 303 Ca 0.09 0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.22 3cip n THR 303 Cb 0.30 -0.60 0.27 0.00 -1.82 0.00 0.00 70.33 68.48 3cip n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3cip n THR 304 N -1.47 0.21 1.51 12.58 -2.24 -0.62 -4.33 114.28 119.93 3cip n THR 304 Ca 0.07 -0.26 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 3cip n THR 304 Cb 0.29 0.14 0.71 0.00 -2.10 0.00 0.00 70.33 69.37 3cip n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3cip n MET 305 N 0.03 0.68 -1.76 -0.78 2.81 -0.81 -4.89 117.12 112.40 3cip n MET 305 Ca 0.11 -0.14 -0.42 0.00 -1.81 0.00 0.00 57.70 55.44 3cip n MET 305 Cb 0.21 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 3cip n MET 305 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3cip s PHE 306 N -2.42 2.89 0.40 2.03 0.40 -1.26 -4.95 117.98 115.07 3cip s PHE 306 Ca 0.32 0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 56.76 3cip s PHE 306 Cb 0.20 -4.11 -0.11 0.00 0.51 0.00 0.00 43.02 39.52 3cip s PHE 306 CO 0.45 -4.21 1.20 -2.30 0.70 0.00 0.00 175.22 171.06 3cip n PRO 307 N 4.08 1.80 0.00 0.24 -0.02 -1.26 -2.36 135.00 137.48 3cip n PRO 307 Ca 0.16 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3cip n PRO 307 Cb 0.36 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3cip n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cip n GLY 308 N 0.91 2.34 0.31 -1.23 0.00 -1.26 -0.77 105.19 105.49 3cip n GLY 308 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3cip n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cip h ILE 309 N 0.00 1.25 -0.26 -0.61 2.10 -1.72 -1.71 117.51 116.56 3cip h ILE 309 Ca 0.00 -0.92 -0.09 0.00 1.08 0.00 0.00 64.86 64.93 3cip h ILE 309 Cb 0.00 0.64 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 3cip h ILE 309 CO 0.00 0.35 -0.18 0.00 -1.08 0.00 0.00 178.15 177.23 3cip h ALA 310 N 1.22 0.38 -0.72 0.18 0.00 -1.91 -0.04 119.26 118.36 3cip h ALA 310 Ca 0.19 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3cip h ALA 310 Cb 0.35 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3cip h ALA 310 CO 0.00 0.30 0.41 -0.44 0.00 0.00 0.00 179.25 179.52 3cip h ASP 311 N 0.31 0.60 -0.27 0.00 3.45 -1.96 -0.62 116.42 117.93 3cip h ASP 311 Ca 0.05 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.46 3cip h ASP 311 Cb 0.72 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 3cip h ASP 311 CO 0.05 0.38 -0.16 -0.09 -1.57 0.00 0.00 179.24 177.84 3cip h ARG 312 N 0.73 0.60 -0.91 3.56 9.65 -1.12 -1.19 114.38 125.69 3cip h ARG 312 Ca 0.33 -0.27 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3cip h ARG 312 Cb 0.23 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 3cip h ARG 312 CO -0.20 0.85 0.59 0.52 2.80 0.00 0.00 179.97 184.53 3cip h MET 313 N 0.33 1.09 -0.25 0.20 2.86 -0.79 -0.38 114.93 117.99 3cip h MET 313 Ca 0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3cip h MET 313 Cb 0.69 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3cip h MET 313 CO 0.05 0.72 0.12 -0.97 1.06 0.00 0.00 176.91 177.88 3cip h ASN 314 N 1.12 0.32 -0.26 1.22 -1.24 -0.93 -0.39 115.58 115.43 3cip h ASN 314 Ca 0.37 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.28 3cip h ASN 314 Cb 0.05 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 3cip h ASN 314 CO -0.13 0.36 0.12 0.50 -1.29 0.00 0.00 177.43 176.98 3cip h LYS 315 N 0.26 0.24 -0.22 6.67 3.64 -0.77 -0.93 116.57 125.46 3cip h LYS 315 Ca 0.08 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 3cip h LYS 315 Cb 0.12 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3cip h LYS 315 CO -0.01 0.16 -0.40 0.93 -2.27 0.00 0.00 179.45 177.86 3cip h GLU 316 N 0.25 0.66 -0.30 1.90 4.39 -0.89 -2.21 114.58 118.38 3cip h GLU 316 Ca 0.11 -0.42 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 3cip h GLU 316 Cb 0.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3cip h GLU 316 CO -0.09 1.04 -0.33 1.25 -1.16 0.00 0.00 179.01 179.72 3cip h LEU 317 N 0.37 0.68 -1.23 1.33 5.85 -1.07 -2.48 115.31 118.76 3cip h LEU 317 Ca 0.01 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3cip h LEU 317 Cb 1.00 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3cip h LEU 317 CO 0.09 0.96 0.55 0.74 -0.34 0.00 0.00 178.44 180.43 3cip h THR 318 N 0.55 1.06 -0.04 1.05 2.02 -1.04 -0.65 112.91 115.87 3cip h THR 318 Ca 0.06 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 3cip h THR 318 Cb 0.83 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3cip h THR 318 CO 0.07 0.17 -0.56 0.00 0.37 0.00 0.00 175.52 175.58 3cip h ALA 319 N 1.54 1.00 0.13 6.16 0.00 -0.99 -3.26 119.26 123.84 3cip h ALA 319 Ca 0.35 -0.51 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 3cip h ALA 319 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3cip h ALA 319 CO -0.12 0.70 -1.40 -0.07 0.00 0.00 0.00 179.25 178.35 3cip h LEU 320 N 0.09 0.44-10.25 0.00 3.38 -0.97 -3.47 115.31 104.52 3cip h LEU 320 Ca -0.00 -0.53 -0.49 0.00 0.09 0.00 0.00 57.88 56.95 3cip h LEU 320 Cb 1.01 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.64 3cip h LEU 320 CO 0.08 1.43 0.20 0.00 0.09 0.00 0.00 178.44 180.24 3cip s ALA 321 N -2.63 3.29 0.54 1.53 0.00 -0.31 -5.05 121.76 119.12 3cip s ALA 321 Ca -0.07 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 3cip s ALA 321 Cb 0.07 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 3cip s ALA 321 CO 0.87 -0.29 1.21 -2.30 0.00 0.00 0.00 175.76 175.25 3cip n PRO 322 N -1.96 1.44 0.31 0.00 -0.02 -1.26 -4.86 135.00 128.65 3cip n PRO 322 Ca 0.03 0.53 0.21 0.00 -2.02 0.00 0.00 63.50 62.25 3cip n PRO 322 Cb 0.54 -2.40 1.00 0.00 -0.02 0.00 0.00 33.50 32.63 3cip n PRO 322 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cip h SER 323 N 1.20 0.00 0.16 2.55 4.64 -1.97 -1.10 113.55 119.02 3cip h SER 323 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3cip h SER 323 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3cip h SER 323 CO 0.55 0.00 -0.24 0.35 -0.87 0.00 0.00 176.83 176.63 3cip n THR 324 N -3.09 0.00 -2.60 2.95 -2.24 -1.26 -4.86 114.28 103.18 3cip n THR 324 Ca -0.02 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3cip n THR 324 Cb 0.17 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3cip n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3cip s MET 325 N -2.40 4.50 -0.21 -0.78 0.00 -0.42 -5.01 119.30 114.98 3cip s MET 325 Ca 0.26 1.55 -0.26 0.00 0.00 0.00 0.00 55.69 57.24 3cip s MET 325 Cb 0.19 -3.43 -0.00 0.00 0.00 0.00 0.00 34.83 31.59 3cip s MET 325 CO 0.49 -0.15 0.89 0.21 0.00 0.00 0.00 175.02 176.46 3cip s LYS 326 N 1.13 4.25 -0.19 4.11 2.20 -1.26 -4.95 119.74 125.03 3cip s LYS 326 Ca 0.54 1.10 -0.09 0.00 -0.36 0.00 0.00 55.97 57.16 3cip s LYS 326 Cb -0.24 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 3cip s LYS 326 CO 0.28 -0.47 0.11 0.42 -0.36 0.00 0.00 175.35 175.32 3cip s ILE 327 N 2.65 5.20 -0.07 5.43 -1.09 -1.26 -3.42 121.20 128.63 3cip s ILE 327 Ca 0.39 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.91 3cip s ILE 327 Cb -0.16 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3cip s ILE 327 CO 0.09 0.46 -0.00 -0.75 -1.23 0.00 0.00 174.94 173.51 3cip s LYS 328 N 0.25 0.63 -0.22 2.79 2.20 -0.45 -4.95 119.74 120.00 3cip s LYS 328 Ca 0.07 0.09 -0.09 0.00 -0.36 0.00 0.00 55.97 55.68 3cip s LYS 328 Cb -0.11 -0.97 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 3cip s LYS 328 CO -0.01 -0.29 0.12 0.42 -0.36 0.00 0.00 175.35 175.23 3cip s ILE 329 N 1.91 5.13 -0.26 5.43 -1.09 -1.26 -1.36 121.20 129.70 3cip s ILE 329 Ca 0.04 0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.50 3cip s ILE 329 Cb -0.12 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 3cip s ILE 329 CO -0.05 0.39 0.03 -0.63 -1.23 0.00 0.00 174.94 173.46 3cip s ILE 330 N 0.79 3.83 -0.50 2.92 1.09 0.14 -4.97 121.20 124.50 3cip s ILE 330 Ca 0.06 -0.51 0.05 0.00 -1.10 0.00 0.00 60.65 59.15 3cip s ILE 330 Cb -0.13 -2.86 0.19 0.00 -1.06 0.00 0.00 42.46 38.60 3cip s ILE 330 CO 0.02 0.25 0.44 0.00 -0.10 0.00 0.00 174.94 175.56 3cip n ALA 331 N 4.85 3.03 -1.76 9.38 0.00 -1.26 -0.97 120.51 133.77 3cip n ALA 331 Ca -0.16 -3.63 -0.39 0.00 0.00 0.00 0.00 53.44 49.26 3cip n ALA 331 Cb 0.50 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.11 3cip n ALA 331 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3cip s PRO 332 N -0.72 3.69 0.43 0.00 0.02 -1.26 -4.91 135.00 132.26 3cip s PRO 332 Ca 0.32 2.14 0.14 0.00 0.02 0.00 0.00 61.00 63.62 3cip s PRO 332 Cb 0.05 -2.56 1.03 0.00 0.02 0.00 0.00 34.50 33.04 3cip s PRO 332 CO -0.16 -0.72 1.96 -1.35 -0.33 0.00 0.00 177.00 176.40 3cip h PRO 333 N 2.22 0.41 -0.51 5.54 0.11 -1.99 -1.88 132.00 135.90 3cip h PRO 333 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3cip h PRO 333 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cip h PRO 333 CO 0.61 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3cip n GLU 334 N -4.47 1.53 0.13 1.05 0.00 -1.26 -4.54 120.64 113.08 3cip n GLU 334 Ca 0.11 -0.55 0.12 0.00 0.00 0.00 0.00 57.16 56.83 3cip n GLU 334 Cb 0.42 -1.36 0.50 0.00 0.00 0.00 0.00 31.44 31.00 3cip n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3cip n ARG 335 N 0.01 0.18 0.26 3.44 1.85 -0.71 -0.87 116.66 120.83 3cip n ARG 335 Ca 0.05 0.45 0.11 0.00 -1.00 0.00 0.00 57.85 57.46 3cip n ARG 335 Cb 0.27 -1.88 0.71 0.00 -1.05 0.00 0.00 32.46 30.51 3cip n ARG 335 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3cip h LYS 336 N 0.00 0.00 -0.12 2.89 3.64 -1.80 -0.88 116.57 120.30 3cip h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cip h LYS 336 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3cip h LYS 336 CO 0.00 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 3cip n TYR 337 N -3.99 0.17 -0.30 1.91 4.01 -0.05 -4.54 117.16 114.37 3cip n TYR 337 Ca -0.02 -0.51 0.05 0.00 -0.16 0.00 0.00 57.90 57.25 3cip n TYR 337 Cb 0.18 -0.05 0.25 0.00 -0.31 0.00 0.00 39.34 39.42 3cip n TYR 337 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3cip h SER 338 N 0.72 0.88 0.27 7.72 4.64 -1.42 0.07 113.55 126.43 3cip h SER 338 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3cip h SER 338 Cb 0.59 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3cip h SER 338 CO 0.00 0.56 -0.13 0.58 -0.87 0.00 0.00 176.83 176.97 3cip h VAL 339 N 1.00 0.75 -0.38 0.95 2.07 -1.85 0.54 116.25 119.34 3cip h VAL 339 Ca 0.39 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.81 3cip h VAL 339 Cb 0.24 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3cip h VAL 339 CO -0.15 0.03 0.12 -0.25 0.02 0.00 0.00 177.57 177.34 3cip h TRP 340 N -0.44 0.21 -0.58 1.57 7.01 -1.75 -1.21 115.95 120.76 3cip h TRP 340 Ca -0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 3cip h TRP 340 Cb 0.33 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 3cip h TRP 340 CO -0.04 0.08 0.32 0.82 -2.79 0.00 0.00 178.44 176.82 3cip h ILE 341 N 0.27 1.19 -0.71 2.65 2.04 -0.85 0.49 117.51 122.58 3cip h ILE 341 Ca 0.18 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3cip h ILE 341 Cb 0.17 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3cip h ILE 341 CO -0.19 0.20 0.43 1.23 0.00 0.00 0.00 178.15 179.82 3cip h GLY 342 N 0.78 1.04 1.00 5.37 0.00 -0.53 -1.13 103.07 109.60 3cip h GLY 342 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3cip h GLY 342 CO -0.03 0.23 0.42 -1.33 0.00 0.00 0.00 176.54 175.83 3cip h GLY 343 N 0.81 1.03 1.01 4.60 0.00 -0.42 -0.82 103.07 109.28 3cip h GLY 343 Ca 0.30 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3cip h GLY 343 CO -0.14 0.43 0.57 0.23 0.00 0.00 0.00 176.54 177.62 3cip h SER 344 N 0.97 1.02 0.11 0.19 0.87 -0.24 -0.22 113.55 116.24 3cip h SER 344 Ca 0.25 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3cip h SER 344 Cb -0.01 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3cip h SER 344 CO -0.05 0.75 -0.05 0.40 -0.53 0.00 0.00 176.83 177.35 3cip h ILE 345 N 1.19 1.09 -0.37 2.23 2.04 -1.07 -2.80 117.51 119.83 3cip h ILE 345 Ca 0.32 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3cip h ILE 345 Cb -0.12 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3cip h ILE 345 CO -0.07 0.20 0.10 0.25 0.00 0.00 0.00 178.15 178.64 3cip h LEU 346 N -0.55 0.07 -1.54 1.44 5.85 -0.98 -1.43 115.31 118.18 3cip h LEU 346 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3cip h LEU 346 Cb 0.44 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3cip h LEU 346 CO 0.02 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 3cip h ALA 347 N 1.26 1.00 0.00 1.25 0.00 -1.10 -2.69 119.26 118.97 3cip h ALA 347 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3cip h ALA 347 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cip h ALA 347 CO -0.20 0.00 -0.61 0.77 0.00 0.00 0.00 179.25 179.21 3cip h SER 348 N 0.00 0.00 -3.96 0.00 0.02 -0.99 -3.46 113.55 105.16 3cip h SER 348 Ca 0.00 -0.16 -0.53 0.00 -0.84 0.00 0.00 61.79 60.27 3cip h SER 348 Cb 0.35 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.98 3cip h SER 348 CO 0.00 0.08 0.61 -0.76 -1.14 0.00 0.00 176.83 175.62 3cip s LEU 349 N -4.52 4.18 0.59 5.07 1.43 -1.01 -4.88 118.68 119.53 3cip s LEU 349 Ca 0.05 2.66 0.29 0.00 -1.03 0.00 0.00 54.13 56.11 3cip s LEU 349 Cb 0.12 -3.94 1.65 0.00 0.03 0.00 0.00 46.19 44.05 3cip s LEU 349 CO 0.72 -0.91 2.07 0.77 0.23 0.00 0.00 176.35 179.23 3cip h SER 350 N 2.56 0.00 0.80 2.29 4.64 -1.92 -0.43 113.55 121.48 3cip h SER 350 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3cip h SER 350 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3cip h SER 350 CO 0.62 0.00 -0.26 0.35 -0.87 0.00 0.00 176.83 176.67 3cip n THR 351 N -3.74 0.06 0.26 2.95 -2.24 -1.26 -4.11 114.28 106.21 3cip n THR 351 Ca 0.02 -0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 3cip n THR 351 Cb 0.37 -0.15 0.51 0.00 -2.10 0.00 0.00 70.33 68.96 3cip n THR 351 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3cip h PHE 352 N 0.00 0.00 0.00 4.78 3.57 -1.33 -2.60 116.94 121.36 3cip h PHE 352 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3cip h PHE 352 Cb 0.53 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3cip h PHE 352 CO 0.00 0.00 -0.01 -0.56 -2.23 0.00 0.00 178.31 175.51 3cip h GLN 353 N 0.00 0.00 -0.67 1.11 3.07 -1.76 0.13 115.11 117.00 3cip h GLN 353 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3cip h GLN 353 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.24 3cip h GLN 353 CO 0.00 0.01 0.00 1.04 0.09 0.00 0.00 178.83 179.97 3cip n GLN 354 N -3.37 2.88 -0.11 0.06 1.13 -0.98 -4.29 117.38 112.70 3cip n GLN 354 Ca -0.03 -2.62 -0.14 0.00 -1.94 0.00 0.00 57.00 52.27 3cip n GLN 354 Cb 0.09 -1.57 -0.13 0.00 0.11 0.00 0.00 30.24 28.74 3cip n GLN 354 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3cip n MET 355 N 1.42 0.69 -1.15 -1.09 2.81 0.45 -5.04 117.12 115.21 3cip n MET 355 Ca 0.23 0.09 -0.34 0.00 -1.81 0.00 0.00 57.70 55.86 3cip n MET 355 Cb 0.63 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.75 3cip n MET 355 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3cip n TRP 356 N -3.04 0.58 -2.90 2.03 7.02 -1.10 -4.94 117.44 115.09 3cip n TRP 356 Ca -0.40 0.38 -0.41 0.00 -1.02 0.00 0.00 57.50 56.05 3cip n TRP 356 Cb 1.03 -2.04 -0.04 0.00 -2.42 0.00 0.00 31.31 27.84 3cip n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3cip s ILE 357 N -2.05 4.89 0.41 -0.99 1.01 0.20 -4.93 121.20 119.74 3cip s ILE 357 Ca 0.71 1.62 -0.01 0.00 0.00 0.00 0.00 60.65 62.97 3cip s ILE 357 Cb -0.30 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 3cip s ILE 357 CO 0.53 0.04 0.65 -0.94 0.00 0.00 0.00 174.94 175.22 3cip s SER 358 N 1.14 6.20 0.25 3.58 1.04 -1.26 -1.08 113.70 123.58 3cip s SER 358 Ca 0.38 0.58 -0.05 0.00 0.48 0.00 0.00 55.95 57.35 3cip s SER 358 Cb -0.17 -2.02 0.34 0.00 0.10 0.00 0.00 66.02 64.27 3cip s SER 358 CO 0.13 -0.46 1.87 0.50 0.98 0.00 0.00 173.24 176.26 3cip h LYS 359 N 0.51 1.06 -0.39 4.02 1.63 -1.43 -0.65 116.57 121.33 3cip h LYS 359 Ca -0.48 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.30 3cip h LYS 359 Cb 1.22 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.57 3cip h LYS 359 CO 0.61 0.70 0.13 1.49 -3.45 0.00 0.00 179.45 178.93 3cip h GLU 360 N 1.09 0.27 -0.63 1.90 4.81 -1.94 0.15 114.58 120.22 3cip h GLU 360 Ca 0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3cip h GLU 360 Cb 0.11 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3cip h GLU 360 CO -0.15 0.18 0.40 0.93 -0.73 0.00 0.00 179.01 179.63 3cip h GLU 361 N 0.28 0.85 -0.57 1.92 5.08 -1.78 -2.05 114.58 118.30 3cip h GLU 361 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3cip h GLU 361 Cb 0.17 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3cip h GLU 361 CO -0.19 0.59 0.25 -0.92 -1.00 0.00 0.00 179.01 177.74 3cip h TYR 362 N 0.86 0.85 -0.91 4.33 3.20 -0.56 0.10 116.97 124.85 3cip h TYR 362 Ca 0.23 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3cip h TYR 362 Cb -0.05 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 37.91 3cip h TYR 362 CO -0.02 0.68 0.60 -0.44 -1.64 0.00 0.00 178.16 177.34 3cip h ASP 363 N 0.78 1.04 -0.05 -2.11 3.45 -0.43 0.33 116.42 119.43 3cip h ASP 363 Ca 0.19 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 3cip h ASP 363 Cb 0.17 -0.25 0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3cip h ASP 363 CO -0.02 0.74 -0.42 -0.08 -1.57 0.00 0.00 179.24 177.89 3cip h GLU 364 N 1.22 0.37 0.00 3.56 4.81 -1.12 -3.40 114.58 120.01 3cip h GLU 364 Ca 0.34 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3cip h GLU 364 Cb -0.11 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3cip h GLU 364 CO -0.08 0.99 -1.73 0.43 -0.73 0.00 0.00 179.01 177.89 3cip n SER 365 N -4.34 1.36 -0.25 1.04 7.64 0.00 -5.11 113.62 113.96 3cip n SER 365 Ca -0.09 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.82 3cip n SER 365 Cb 0.57 1.73 -0.01 0.00 -1.01 0.00 0.00 64.21 65.49 3cip n SER 365 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cip n GLY 366 N 1.60 -2.12 0.35 0.23 0.00 0.11 -4.38 105.19 100.98 3cip n GLY 366 Ca -0.03 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.73 3cip n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cip h PRO 367 N 0.00 0.00 0.00 1.61 0.11 -1.88 -2.37 132.00 129.47 3cip h PRO 367 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3cip h PRO 367 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3cip h PRO 367 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 3cip n SER 368 N -4.34 0.34 0.27 -2.05 3.41 -1.26 -1.69 113.62 108.29 3cip n SER 368 Ca 0.06 0.62 0.17 0.00 -0.26 0.00 0.00 58.87 59.46 3cip n SER 368 Cb 0.48 -0.68 0.91 0.00 -0.26 0.00 0.00 64.21 64.66 3cip n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3cip h ILE 369 N 0.00 0.42 -0.27 -1.33 2.10 -1.65 -2.17 117.51 114.61 3cip h ILE 369 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.99 3cip h ILE 369 Cb 0.15 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 3cip h ILE 369 CO 0.00 0.00 0.19 1.62 -1.08 0.00 0.00 178.15 178.88 3cip h VAL 370 N 0.00 0.95 0.00 2.19 3.04 -1.58 -0.76 116.25 120.09 3cip h VAL 370 Ca 0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3cip h VAL 370 Cb 0.22 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3cip h VAL 370 CO -0.00 0.03 0.00 0.45 -1.01 0.00 0.00 177.57 177.04 3cip h HIS 371 N 0.16 0.00 0.00 3.17 3.86 -1.64 -1.53 115.15 119.17 3cip h HIS 371 Ca 0.12 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 3cip h HIS 371 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3cip h HIS 371 CO -0.00 0.00 -2.02 0.54 0.86 0.00 0.00 177.93 177.31 3cip n ARG 372 N -2.60 0.66 -0.07 2.45 1.74 -0.37 -4.54 116.66 113.94 3cip n ARG 372 Ca 0.03 -0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 3cip n ARG 372 Cb 0.38 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 3cip n ARG 372 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cip n LYS 373 N -2.49 1.19 -3.83 5.56 4.76 -0.74 -4.89 118.16 117.71 3cip n LYS 373 Ca -0.14 -0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 54.97 3cip n LYS 373 Cb 0.78 -1.42 -0.15 0.00 -1.84 0.00 0.00 35.03 32.41 3cip n LYS 373 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03