#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipt s VAL 2 N 0.00 4.93 0.03 1.69 -7.23 -1.26 -3.95 120.40 114.62 2ipt s VAL 2 Ca 0.00 1.51 0.04 0.00 -1.81 0.00 0.00 61.98 61.72 2ipt s VAL 2 Cb 0.00 -4.07 -0.02 0.00 0.56 0.00 0.00 36.38 32.85 2ipt s VAL 2 CO 0.00 0.30 -0.12 0.42 -0.31 0.00 0.00 175.10 175.39 2ipt s THR 3 N 0.46 0.89 -0.06 5.32 -4.23 -0.75 -4.99 115.64 112.29 2ipt s THR 3 Ca 0.38 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2ipt s THR 3 Cb -0.19 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 72.83 2ipt s THR 3 CO 0.20 -0.06 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.36 2ipt s LEU 4 N -1.08 1.59 -0.12 4.79 1.02 -1.26 -1.60 118.68 122.01 2ipt s LEU 4 Ca -0.01 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 2ipt s LEU 4 Cb -0.07 -0.71 0.03 0.00 0.02 0.00 0.00 46.19 45.46 2ipt s LEU 4 CO 0.01 0.02 -0.05 -0.54 0.02 0.00 0.00 176.35 175.81 2ipt s LYS 5 N 0.67 1.26 0.23 1.70 1.02 0.62 -4.14 119.74 121.09 2ipt s LYS 5 Ca -0.13 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 2ipt s LYS 5 Cb -0.15 -1.56 -0.06 0.00 -0.52 0.00 0.00 37.83 35.54 2ipt s LYS 5 CO 0.03 -0.33 0.51 -1.21 -0.92 0.00 0.00 175.35 173.43 2ipt s GLU 6 N 1.76 3.71 0.03 1.68 8.01 -1.26 -0.86 118.70 131.77 2ipt s GLU 6 Ca 0.04 0.11 -0.08 0.00 0.01 0.00 0.00 54.97 55.05 2ipt s GLU 6 Cb -0.13 -2.69 -0.00 0.00 -4.31 0.00 0.00 34.13 26.99 2ipt s GLU 6 CO -0.07 0.32 0.15 -1.54 0.01 0.00 0.00 175.26 174.13 2ipt s SER 7 N -2.61 0.07 0.35 -0.19 1.04 0.35 -4.76 113.70 107.95 2ipt s SER 7 Ca 0.45 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 2ipt s SER 7 Cb -0.11 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.31 2ipt s SER 7 CO 0.24 -0.49 0.74 0.61 0.98 0.00 0.00 173.24 175.33 2ipt n GLY 8 N 0.95 1.04 0.02 7.32 0.00 -1.26 -1.17 105.19 112.09 2ipt n GLY 8 Ca -0.20 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.74 2ipt n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ipt n PRO 9 N -0.50 0.39 0.00 1.61 -0.04 -1.26 -4.93 135.00 130.26 2ipt n PRO 9 Ca -0.08 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2ipt n PRO 9 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2ipt n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ipt n GLY 10 N 1.33 1.64 2.93 0.55 0.00 -1.26 -4.76 105.19 105.62 2ipt n GLY 10 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2ipt n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ipt s ILE 11 N 0.00 0.29 0.20 -0.61 2.07 -1.26 -1.14 121.20 120.75 2ipt s ILE 11 Ca 0.00 -0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 59.04 2ipt s ILE 11 Cb 0.00 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 2ipt s ILE 11 CO 0.00 0.08 0.23 -1.48 -1.91 0.00 0.00 174.94 171.86 2ipt s LEU 12 N -0.08 0.97 0.22 8.50 0.05 -0.55 -4.97 118.68 122.82 2ipt s LEU 12 Ca 0.01 -1.19 -0.03 0.00 0.05 0.00 0.00 54.13 52.96 2ipt s LEU 12 Cb -0.02 0.83 -0.05 0.00 -2.05 0.00 0.00 46.19 44.90 2ipt s LEU 12 CO -0.00 -0.91 0.45 -0.54 -0.55 0.00 0.00 176.35 174.79 2ipt s LYS 13 N -4.09 3.59 0.30 1.48 1.02 -1.26 -1.55 119.74 119.24 2ipt s LYS 13 Ca 0.31 -0.14 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 2ipt s LYS 13 Cb 0.05 -2.77 -0.13 0.00 -0.52 0.00 0.00 37.83 34.46 2ipt s LYS 13 CO 0.09 0.35 1.22 -2.30 -0.92 0.00 0.00 175.35 173.79 2ipt n PRO 14 N -0.58 1.85 0.00 -1.68 -0.02 -1.26 -2.11 135.00 131.20 2ipt n PRO 14 Ca -0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2ipt n PRO 14 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2ipt n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ipt n SER 15 N 1.16 0.00 -4.64 2.55 7.64 0.11 -4.96 113.62 115.48 2ipt n SER 15 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2ipt n SER 15 Cb 0.34 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.66 2ipt n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2ipt s GLN 16 N -0.55 1.52 -0.22 1.43 -0.21 -0.90 -4.07 119.66 116.67 2ipt s GLN 16 Ca 0.00 -0.11 -0.07 0.00 0.02 0.00 0.00 55.36 55.20 2ipt s GLN 16 Cb 0.00 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 32.04 2ipt s GLN 16 CO 0.00 -1.85 0.05 0.99 -2.12 0.00 0.00 175.29 172.36 2ipt s THR 17 N -3.66 4.32 -0.17 -0.19 2.01 -1.26 -2.46 115.64 114.24 2ipt s THR 17 Ca 0.66 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 2ipt s THR 17 Cb -0.08 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2ipt s THR 17 CO 0.50 0.39 0.72 -0.22 -0.69 0.00 0.00 174.62 175.32 2ipt s LEU 18 N 1.16 4.18 -0.25 4.42 2.96 -0.04 -4.94 118.68 126.17 2ipt s LEU 18 Ca 0.04 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2ipt s LEU 18 Cb -0.14 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.53 2ipt s LEU 18 CO 0.03 -0.30 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.23 2ipt s SER 19 N 1.12 4.33 0.09 3.68 0.01 -1.26 -0.67 113.70 121.00 2ipt s SER 19 Ca 0.34 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.51 2ipt s SER 19 Cb -0.16 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 2ipt s SER 19 CO 0.12 -0.16 0.06 -0.76 0.41 0.00 0.00 173.24 172.92 2ipt s LEU 20 N 1.22 3.72 -0.01 2.44 1.43 0.09 -4.43 118.68 123.14 2ipt s LEU 20 Ca -0.04 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2ipt s LEU 20 Cb -0.18 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2ipt s LEU 20 CO -0.05 0.16 -0.17 -0.89 0.23 0.00 0.00 176.35 175.63 2ipt s THR 21 N -1.40 1.37 -0.17 5.49 2.01 -0.32 -1.95 115.64 120.67 2ipt s THR 21 Ca 0.29 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2ipt s THR 21 Cb -0.12 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2ipt s THR 21 CO 0.21 0.35 -0.17 0.00 -0.69 0.00 0.00 174.62 174.33 2ipt s SER 23 N 1.38 5.67 0.16 0.00 0.01 -0.04 -0.97 113.70 119.90 2ipt s SER 23 Ca 0.04 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.43 2ipt s SER 23 Cb -0.13 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 2ipt s SER 23 CO -0.11 0.19 -0.04 0.72 0.41 0.00 0.00 173.24 174.41 2ipt s PHE 24 N 0.26 1.20 0.16 2.43 -0.71 -0.49 -0.28 117.98 120.55 2ipt s PHE 24 Ca 0.04 -0.92 -0.08 0.00 -1.04 0.00 0.00 56.93 54.93 2ipt s PHE 24 Cb -0.12 -0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 41.01 2ipt s PHE 24 CO 0.00 -0.10 0.26 -1.54 -1.34 0.00 0.00 175.22 172.50 2ipt s SER 25 N -3.16 0.07 0.00 1.98 1.04 -0.63 -4.81 113.70 108.19 2ipt s SER 25 Ca 0.20 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2ipt s SER 25 Cb 0.05 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2ipt s SER 25 CO 0.02 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2ipt n GLY 26 N -0.21 0.67 3.74 7.32 0.00 -1.25 -1.82 105.19 113.64 2ipt n GLY 26 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 2ipt n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipt s PHE 27 N -2.32 -0.13 -0.01 1.61 -0.12 -1.26 -4.64 117.98 111.10 2ipt s PHE 27 Ca 0.00 -0.16 0.04 0.00 -0.05 0.00 0.00 56.93 56.76 2ipt s PHE 27 Cb 0.00 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 2ipt s PHE 27 CO 0.00 -0.80 -0.13 0.45 -0.05 0.00 0.00 175.22 174.70 2ipt s SER 28 N -2.93 1.52 0.00 1.98 0.15 -1.26 -5.01 113.70 108.15 2ipt s SER 28 Ca 0.12 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 56.83 2ipt s SER 28 Cb -0.01 -0.19 1.49 0.00 -1.71 0.00 0.00 66.02 65.59 2ipt s SER 28 CO 0.02 0.15 2.01 0.18 1.20 0.00 0.00 173.24 176.80 2ipt n LEU 29 N 2.81 0.00 -0.04 3.45 4.77 -1.26 -2.46 117.00 124.26 2ipt n LEU 29 Ca -0.14 0.26 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 2ipt n LEU 29 Cb 0.55 -0.26 0.56 0.00 -2.33 0.00 0.00 43.42 41.94 2ipt n LEU 29 CO 0.25 -0.01 0.83 -1.54 -1.33 0.00 0.00 177.39 175.59 2ipt n SER 30 N -1.26 0.27 -4.67 -1.43 3.41 -1.26 -4.09 113.62 104.59 2ipt n SER 30 Ca 0.14 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 2ipt n SER 30 Cb 0.22 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2ipt n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ipt s THR 31 N -2.76 3.90 0.26 6.66 2.01 -1.03 -4.99 115.64 119.69 2ipt s THR 31 Ca 0.20 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 2ipt s THR 31 Cb 0.19 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 2ipt s THR 31 CO 0.54 -0.07 1.37 -0.55 -0.69 0.00 0.00 174.62 175.22 2ipt s SER 32 N 2.40 6.74 -1.02 3.53 0.15 -1.26 0.39 113.70 124.63 2ipt s SER 32 Ca 0.63 2.61 -0.05 0.00 0.70 0.00 0.00 55.95 59.84 2ipt s SER 32 Cb -0.28 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.66 2ipt s SER 32 CO 0.23 -0.61 1.03 0.61 1.20 0.00 0.00 173.24 175.70 2ipt n GLY 33 N 1.87 4.32 3.80 9.45 0.00 -1.26 -5.05 105.19 118.31 2ipt n GLY 33 Ca 0.05 -2.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.12 2ipt n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ipt s MET 34 N -1.56 3.60 0.02 1.61 -2.45 0.16 -2.20 119.30 118.47 2ipt s MET 34 Ca 0.30 1.34 -0.13 0.00 -1.25 0.00 0.00 55.69 55.95 2ipt s MET 34 Cb -0.06 -2.06 0.02 0.00 1.25 0.00 0.00 34.83 33.97 2ipt s MET 34 CO -0.07 -0.60 0.28 0.20 1.05 0.00 0.00 175.02 175.88 2ipt s GLY 35 N -2.21 -0.10 0.00 2.11 0.00 -1.10 -0.65 107.32 105.37 2ipt s GLY 35 Ca 0.67 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.47 2ipt s GLY 35 CO 0.26 -0.12 -0.01 0.14 0.00 0.00 0.00 173.10 173.37 2ipt s VAL 35 N -2.03 0.04 0.09 1.40 1.01 -0.52 -1.50 120.40 118.89 2ipt s VAL 35 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2ipt s VAL 35 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 2ipt s VAL 35 CO -0.00 -0.03 0.09 0.61 0.00 0.00 0.00 175.10 175.77 2ipt n GLY 35 N 2.96 3.49 2.90 4.51 0.00 0.18 -0.83 105.19 118.40 2ipt n GLY 35 Ca -0.13 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 2ipt n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ipt s TRP 36 N -2.94 0.28 0.02 1.61 0.52 -0.35 -0.95 118.94 117.13 2ipt s TRP 36 Ca 0.10 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.20 2ipt s TRP 36 Cb 0.00 -0.22 -0.01 0.00 -1.15 0.00 0.00 33.47 32.09 2ipt s TRP 36 CO 0.07 -0.03 -0.08 0.42 0.02 0.00 0.00 176.95 177.35 2ipt s ILE 37 N 0.14 0.59 0.23 2.03 1.01 -0.49 -1.21 121.20 123.50 2ipt s ILE 37 Ca -0.01 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.07 2ipt s ILE 37 Cb -0.04 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 2ipt s ILE 37 CO -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 174.94 174.72 2ipt s ARG 38 N -0.80 1.42 -0.20 2.79 1.70 -0.23 -0.18 118.95 123.46 2ipt s ARG 38 Ca -0.02 -1.65 -0.04 0.00 -0.47 0.00 0.00 55.73 53.55 2ipt s ARG 38 Cb -0.06 -1.26 0.10 0.00 -0.57 0.00 0.00 34.95 33.16 2ipt s ARG 38 CO 0.00 0.20 0.24 -1.14 -1.08 0.00 0.00 175.30 173.52 2ipt s GLN 39 N -3.62 0.20 0.57 3.89 0.74 0.30 -0.66 119.66 121.07 2ipt s GLN 39 Ca 0.25 0.27 -0.20 0.00 0.05 0.00 0.00 55.36 55.73 2ipt s GLN 39 Cb -0.01 -1.06 -0.04 0.00 1.10 0.00 0.00 33.01 33.00 2ipt s GLN 39 CO 0.09 -0.63 1.25 -2.14 -0.55 0.00 0.00 175.29 173.32 2ipt s PRO 40 N 2.35 3.05 0.24 1.67 0.02 -1.26 -0.66 135.00 140.42 2ipt s PRO 40 Ca 0.07 1.96 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 2ipt s PRO 40 Cb -0.15 -2.06 -0.13 0.00 0.02 0.00 0.00 34.50 32.17 2ipt s PRO 40 CO -0.12 -1.18 1.39 0.45 -0.33 0.00 0.00 177.00 177.21 2ipt n SER 41 N -1.35 2.70 0.00 2.53 2.88 -1.26 -1.51 113.62 117.61 2ipt n SER 41 Ca 0.12 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2ipt n SER 41 Cb 0.48 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2ipt n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ipt n GLY 42 N 2.07 0.58 2.86 0.46 0.00 -1.26 -4.98 105.19 104.92 2ipt n GLY 42 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2ipt n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ipt n LYS 43 N -1.97 1.02 -0.99 1.61 5.02 -0.57 -5.16 118.16 117.13 2ipt n LYS 43 Ca 0.00 -2.87 -0.14 0.00 -2.02 0.00 0.00 58.31 53.28 2ipt n LYS 43 Cb 0.01 0.72 0.09 0.00 -0.02 0.00 0.00 35.03 35.83 2ipt n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ipt n GLY 44 N 0.21 -1.07 3.77 0.72 0.00 -1.26 -4.71 105.19 102.86 2ipt n GLY 44 Ca -0.15 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2ipt n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ipt s LEU 45 N 0.00 4.30 -0.16 0.99 1.43 -1.26 -4.21 118.68 119.76 2ipt s LEU 45 Ca 0.36 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2ipt s LEU 45 Cb -0.01 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.93 2ipt s LEU 45 CO 0.25 0.21 -0.15 -0.70 0.23 0.00 0.00 176.35 176.19 2ipt s GLU 46 N -0.07 2.39 0.24 1.70 2.12 0.16 -4.99 118.70 120.25 2ipt s GLU 46 Ca 0.16 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 2ipt s GLU 46 Cb -0.13 -2.25 -0.09 0.00 0.26 0.00 0.00 34.13 31.92 2ipt s GLU 46 CO 0.04 -0.26 1.21 -0.46 -0.54 0.00 0.00 175.26 175.25 2ipt s TRP 47 N 1.43 3.38 -0.04 5.30 -0.00 -1.26 -1.06 118.94 126.68 2ipt s TRP 47 Ca 0.04 1.47 -0.08 0.00 -0.00 0.00 0.00 56.10 57.52 2ipt s TRP 47 Cb -0.13 -3.46 -0.03 0.00 -0.00 0.00 0.00 33.47 29.84 2ipt s TRP 47 CO -0.11 -1.24 -0.16 1.28 -0.00 0.00 0.00 176.95 176.72 2ipt n LEU 48 N 1.87 1.43 -3.55 5.86 4.77 -0.35 -4.65 117.00 122.37 2ipt n LEU 48 Ca 0.02 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 2ipt n LEU 48 Cb 0.44 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2ipt n LEU 48 CO 0.56 -0.43 0.59 0.00 -1.33 0.00 0.00 177.39 176.79 2ipt s ALA 49 N -2.40 -1.68 -0.02 -1.18 0.00 -1.17 -1.04 121.76 114.27 2ipt s ALA 49 Ca -0.14 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 2ipt s ALA 49 Cb 0.03 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.79 2ipt s ALA 49 CO 0.20 -0.80 0.23 -1.58 0.00 0.00 0.00 175.76 173.81 2ipt s HIS 50 N -3.40 -0.10 -0.01 0.00 2.46 -0.01 -1.21 115.29 113.03 2ipt s HIS 50 Ca 0.06 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.75 2ipt s HIS 50 Cb -0.01 0.04 -0.00 0.00 -0.13 0.00 0.00 32.58 32.47 2ipt s HIS 50 CO -0.07 -0.31 -0.06 -1.50 -2.47 0.00 0.00 174.74 170.33 2ipt s ILE 51 N -1.17 0.49 0.28 0.89 2.07 -0.01 -1.12 121.20 122.62 2ipt s ILE 51 Ca -0.12 -0.25 0.08 0.00 -1.41 0.00 0.00 60.65 58.95 2ipt s ILE 51 Cb -0.06 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2ipt s ILE 51 CO 0.03 0.14 0.10 0.26 -1.91 0.00 0.00 174.94 173.56 2ipt s TRP 52 N -0.08 2.83 0.48 3.50 0.52 -0.52 -1.44 118.94 124.24 2ipt s TRP 52 Ca 0.01 -0.22 0.27 0.00 0.02 0.00 0.00 56.10 56.18 2ipt s TRP 52 Cb -0.03 -1.36 1.32 0.00 -1.15 0.00 0.00 33.47 32.25 2ipt s TRP 52 CO -0.00 0.52 1.84 0.11 0.02 0.00 0.00 176.95 179.43 2ipt h TRP 53 N 1.67 0.27 -0.38 -1.98 0.09 -1.03 -1.25 115.95 113.35 2ipt h TRP 53 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.53 2ipt h TRP 53 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 29.16 30.41 2ipt h TRP 53 CO 0.63 0.04 0.00 -0.40 0.09 0.00 0.00 178.44 178.80 2ipt n ASP 54 N -4.39 2.77 0.00 0.11 5.68 -1.26 -4.84 116.55 114.62 2ipt n ASP 54 Ca 0.22 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 2ipt n ASP 54 Cb 0.95 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2ipt n ASP 54 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ipt n ASP 55 N 0.56 0.00 -4.76 -1.12 8.00 -0.47 -5.03 116.55 113.74 2ipt n ASP 55 Ca 0.14 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 2ipt n ASP 55 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2ipt n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ipt s ASP 56 N -3.40 5.40 0.03 -2.24 1.11 -1.26 -4.81 116.67 111.51 2ipt s ASP 56 Ca 0.00 2.33 0.02 0.00 0.18 0.00 0.00 52.55 55.08 2ipt s ASP 56 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 2ipt s ASP 56 CO 0.00 -1.44 -0.07 -0.54 1.18 0.00 0.00 175.17 174.30 2ipt s LYS 57 N -3.28 0.48 -0.02 8.23 1.02 -1.26 -1.44 119.74 123.48 2ipt s LYS 57 Ca 0.75 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.22 2ipt s LYS 57 Cb -0.28 -0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 2ipt s LYS 57 CO 0.31 0.07 -0.16 0.45 -0.92 0.00 0.00 175.35 175.10 2ipt s SER 58 N -1.12 1.94 0.05 2.83 0.15 -0.28 -5.00 113.70 112.28 2ipt s SER 58 Ca -0.06 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2ipt s SER 58 Cb -0.07 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2ipt s SER 58 CO 0.00 0.19 -0.10 -0.31 1.20 0.00 0.00 173.24 174.22 2ipt s TYR 59 N -0.30 0.87 -0.15 3.44 1.51 -1.26 -0.83 117.35 120.63 2ipt s TYR 59 Ca 0.04 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 2ipt s TYR 59 Cb -0.07 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2ipt s TYR 59 CO -0.00 -0.03 1.67 1.21 -1.11 0.00 0.00 175.55 177.29 2ipt s ASN 60 N -1.64 6.44 0.42 2.29 3.84 -0.21 -4.91 114.94 121.18 2ipt s ASN 60 Ca -0.07 1.90 0.16 0.00 0.21 0.00 0.00 52.86 55.06 2ipt s ASN 60 Cb -0.10 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.12 2ipt s ASN 60 CO 0.01 -1.16 1.91 -0.65 -2.79 0.00 0.00 177.10 174.42 2ipt h PRO 61 N 10.50 0.41 0.00 0.43 0.11 -1.95 -1.40 132.00 140.10 2ipt h PRO 61 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2ipt h PRO 61 Cb 1.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ipt h PRO 61 CO 0.98 0.27 -0.07 0.77 -0.21 0.00 0.00 178.00 179.74 2ipt h SER 62 N 0.43 0.00 -0.17 -2.05 0.02 -1.99 -2.92 113.55 106.87 2ipt h SER 62 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2ipt h SER 62 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2ipt h SER 62 CO -0.13 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.81 2ipt n LEU 63 N -4.03 2.49 -0.35 5.07 4.77 -0.57 -4.79 117.00 119.59 2ipt n LEU 63 Ca -0.03 -2.05 0.13 0.00 -0.03 0.00 0.00 56.01 54.03 2ipt n LEU 63 Cb 0.16 -0.13 0.32 0.00 -2.33 0.00 0.00 43.42 41.44 2ipt n LEU 63 CO 0.31 0.62 1.20 0.11 -1.33 0.00 0.00 177.39 178.30 2ipt h LYS 64 N 1.00 0.75 0.00 3.23 1.57 -1.25 -0.11 116.57 121.76 2ipt h LYS 64 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2ipt h LYS 64 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2ipt h LYS 64 CO 0.01 0.50 0.00 -1.13 -0.57 0.00 0.00 179.45 178.25 2ipt n SER 65 N -4.75 0.18 -0.00 0.86 3.41 -1.26 -3.31 113.62 108.74 2ipt n SER 65 Ca 0.23 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.43 2ipt n SER 65 Cb 0.56 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2ipt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipt n GLN 66 N -1.69 0.85 -3.71 4.33 6.02 -0.15 -4.89 117.38 118.14 2ipt n GLN 66 Ca 0.04 -0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.58 2ipt n GLN 66 Cb 0.23 -1.21 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 2ipt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ipt s LEU 67 N -3.54 4.33 -0.11 1.08 1.43 -0.62 -1.29 118.68 119.95 2ipt s LEU 67 Ca -0.03 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2ipt s LEU 67 Cb 0.07 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.10 2ipt s LEU 67 CO 0.44 0.27 0.02 -0.89 0.23 0.00 0.00 176.35 176.43 2ipt s THR 68 N -0.38 0.31 -0.04 5.49 2.01 -0.39 -4.92 115.64 117.72 2ipt s THR 68 Ca 0.15 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2ipt s THR 68 Cb -0.13 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2ipt s THR 68 CO 0.04 0.09 0.13 -0.51 -0.69 0.00 0.00 174.62 173.68 2ipt s ILE 69 N 1.98 5.15 0.31 1.82 2.07 -1.26 -0.25 121.20 131.03 2ipt s ILE 69 Ca 0.03 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 2ipt s ILE 69 Cb -0.14 -3.33 0.01 0.00 0.13 0.00 0.00 42.46 39.14 2ipt s ILE 69 CO -0.06 0.43 0.58 -0.94 -1.91 0.00 0.00 174.94 173.04 2ipt s SER 70 N -1.57 0.21 0.06 4.50 1.04 -0.53 -4.99 113.70 112.42 2ipt s SER 70 Ca 0.22 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 2ipt s SER 70 Cb -0.12 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2ipt s SER 70 CO 0.12 -1.34 0.19 -1.59 0.98 0.00 0.00 173.24 171.60 2ipt s LYS 71 N -3.31 0.75 -0.43 4.02 -2.85 -1.26 -0.30 119.74 116.36 2ipt s LYS 71 Ca 0.22 -0.75 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 2ipt s LYS 71 Cb -0.02 0.31 0.13 0.00 -2.06 0.00 0.00 37.83 36.19 2ipt s LYS 71 CO 0.13 -0.22 0.23 0.34 0.10 0.00 0.00 175.35 175.92 2ipt s ASP 72 N -2.37 3.64 0.30 0.03 -1.08 0.06 -4.98 116.67 112.27 2ipt s ASP 72 Ca -0.01 -2.56 0.02 0.00 -0.52 0.00 0.00 52.55 49.48 2ipt s ASP 72 Cb 0.01 -1.00 0.59 0.00 -1.46 0.00 0.00 42.92 41.06 2ipt s ASP 72 CO -0.06 -0.28 1.88 0.00 0.52 0.00 0.00 175.17 177.23 2ipt h ALA 73 N 6.80 1.57 -0.25 3.66 0.00 -1.97 -1.50 119.26 127.58 2ipt h ALA 73 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ipt h ALA 73 Cb 0.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ipt h ALA 73 CO 0.47 0.24 0.14 0.00 0.00 0.00 0.00 179.25 180.10 2ipt h ALA 74 N 1.53 1.78 -0.01 0.00 0.00 -1.95 -2.44 119.26 118.18 2ipt h ALA 74 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2ipt h ALA 74 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ipt h ALA 74 CO -0.19 0.19 -0.47 0.54 0.00 0.00 0.00 179.25 179.32 2ipt n ARG 75 N -4.47 0.63 -3.52 0.00 3.00 -0.62 -4.97 116.66 106.71 2ipt n ARG 75 Ca 0.01 -0.44 -0.20 0.00 -0.01 0.00 0.00 57.85 57.21 2ipt n ARG 75 Cb 0.09 -1.49 0.06 0.00 0.00 0.00 0.00 32.46 31.12 2ipt n ARG 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ipt n ASN 76 N -0.80 -3.11 -3.98 0.55 5.03 -0.85 -4.84 115.26 107.26 2ipt n ASN 76 Ca 0.09 -0.76 -0.15 0.00 0.87 0.00 0.00 54.58 54.63 2ipt n ASN 76 Cb 0.37 -4.56 -0.14 0.00 -1.02 0.00 0.00 39.78 34.43 2ipt n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ipt s GLN 77 N -5.44 0.43 0.02 3.52 -0.21 -0.94 -1.40 119.66 115.65 2ipt s GLN 77 Ca 0.16 -0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.27 2ipt s GLN 77 Cb -0.03 -0.35 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 2ipt s GLN 77 CO 0.78 0.09 -0.18 0.08 -2.12 0.00 0.00 175.29 173.93 2ipt s VAL 78 N -0.45 1.45 0.11 1.09 1.01 -0.14 -0.76 120.40 122.70 2ipt s VAL 78 Ca -0.01 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.08 2ipt s VAL 78 Cb -0.04 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2ipt s VAL 78 CO -0.00 0.25 -0.24 -0.36 0.00 0.00 0.00 175.10 174.75 2ipt s PHE 79 N -0.65 2.03 -0.08 5.22 0.08 0.59 -0.11 117.98 125.06 2ipt s PHE 79 Ca 0.06 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2ipt s PHE 79 Cb -0.08 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2ipt s PHE 79 CO 0.01 0.27 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.11 2ipt s LEU 80 N -1.98 1.52 -0.15 -0.37 2.96 -0.82 -1.46 118.68 118.38 2ipt s LEU 80 Ca 0.10 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2ipt s LEU 80 Cb -0.10 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 2ipt s LEU 80 CO 0.05 -0.01 0.04 -0.60 -1.32 0.00 0.00 176.35 174.50 2ipt s ARG 81 N 0.99 3.69 -0.22 1.98 3.52 0.66 -0.73 118.95 128.84 2ipt s ARG 81 Ca -0.08 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2ipt s ARG 81 Cb -0.15 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.22 2ipt s ARG 81 CO -0.00 0.39 -0.11 0.42 -0.81 0.00 0.00 175.30 175.18 2ipt s ILE 82 N 0.03 1.86 0.34 4.11 1.01 0.16 -1.26 121.20 127.43 2ipt s ILE 82 Ca 0.04 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 2ipt s ILE 82 Cb -0.12 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 2ipt s ILE 82 CO 0.01 0.12 0.72 0.42 0.00 0.00 0.00 174.94 176.21 2ipt s THR 82 N 1.28 4.76 -1.25 2.92 -4.23 -0.41 -0.86 115.64 117.85 2ipt s THR 82 Ca -0.04 0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2ipt s THR 82 Cb -0.17 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2ipt s THR 82 CO -0.08 -0.28 1.03 -1.20 -0.54 0.00 0.00 174.62 173.55 2ipt n SER 82 N -0.66 -3.00 -4.78 3.99 7.64 -1.13 -4.77 113.62 110.91 2ipt n SER 82 Ca 0.03 -0.62 -0.35 0.00 1.01 0.00 0.00 58.87 58.95 2ipt n SER 82 Cb 0.53 -5.03 -0.00 0.00 -1.01 0.00 0.00 64.21 58.69 2ipt n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ipt s VAL 82 N -3.37 3.36 0.41 0.44 -7.23 -1.03 -4.63 120.40 108.36 2ipt s VAL 82 Ca 0.14 0.82 0.05 0.00 -1.81 0.00 0.00 61.98 61.18 2ipt s VAL 82 Cb -0.06 -3.32 -0.02 0.00 0.56 0.00 0.00 36.38 33.54 2ipt s VAL 82 CO 0.74 -0.21 0.17 -0.90 -0.31 0.00 0.00 175.10 174.59 2ipt n ASP 83 N -1.33 0.97 0.11 4.85 5.68 -1.26 0.05 116.55 125.62 2ipt n ASP 83 Ca 0.11 -3.23 0.18 0.00 -0.50 0.00 0.00 54.79 51.35 2ipt n ASP 83 Cb 0.51 1.15 0.74 0.00 -1.14 0.00 0.00 41.12 42.38 2ipt n ASP 83 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2ipt h THR 84 N 1.75 0.62 0.00 2.12 1.35 -1.97 0.17 112.91 116.94 2ipt h THR 84 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2ipt h THR 84 Cb 1.24 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2ipt h THR 84 CO 0.49 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.76 2ipt h ALA 85 N 1.74 1.00 -0.12 6.62 0.00 -1.96 -2.26 119.26 124.28 2ipt h ALA 85 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ipt h ALA 85 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ipt h ALA 85 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2ipt n ASP 86 N -2.64 1.56 -4.66 0.00 8.00 0.59 -4.83 116.55 114.58 2ipt n ASP 86 Ca 0.00 -1.64 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 2ipt n ASP 86 Cb 0.18 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 2ipt n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ipt s THR 87 N -1.85 3.33 -0.06 -3.53 2.01 -0.85 -4.82 115.64 109.86 2ipt s THR 87 Ca 0.34 0.40 -0.31 0.00 0.31 0.00 0.00 61.69 62.42 2ipt s THR 87 Cb 0.18 -3.27 0.12 0.00 0.01 0.00 0.00 72.50 69.54 2ipt s THR 87 CO 0.28 -0.05 1.17 0.00 -0.69 0.00 0.00 174.62 175.33 2ipt s ALA 88 N 4.41 -2.05 -0.05 7.40 0.00 -0.85 -4.35 121.76 126.26 2ipt s ALA 88 Ca 0.81 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 2ipt s ALA 88 Cb -0.37 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2ipt s ALA 88 CO 0.35 -0.83 0.67 0.99 0.00 0.00 0.00 175.76 176.94 2ipt s THR 89 N -2.61 5.00 -0.22 0.00 2.01 0.17 -1.05 115.64 118.94 2ipt s THR 89 Ca 0.11 1.39 -0.05 0.00 0.31 0.00 0.00 61.69 63.45 2ipt s THR 89 Cb 0.01 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2ipt s THR 89 CO -0.04 0.30 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.87 2ipt s TYR 90 N 0.53 3.01 -0.12 4.92 1.51 0.14 -0.54 117.35 126.79 2ipt s TYR 90 Ca 0.36 -0.70 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2ipt s TYR 90 Cb -0.18 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2ipt s TYR 90 CO 0.18 -0.43 -0.03 0.71 -1.11 0.00 0.00 175.55 174.87 2ipt s TYR 91 N 1.40 3.06 -0.02 2.71 2.02 0.75 -0.64 117.35 126.62 2ipt s TYR 91 Ca 0.05 -0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.51 2ipt s TYR 91 Cb -0.15 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2ipt s TYR 91 CO -0.00 0.20 0.47 0.00 -1.57 0.00 0.00 175.55 174.65 2ipt s VAL 93 N -0.51 0.46 0.01 0.00 -7.23 -0.12 -1.47 120.40 111.53 2ipt s VAL 93 Ca 0.26 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.34 2ipt s VAL 93 Cb -0.17 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.19 2ipt s VAL 93 CO 0.14 -0.33 0.42 -0.60 -0.31 0.00 0.00 175.10 174.41 2ipt s ARG 94 N -1.37 3.93 -0.21 4.82 3.52 -0.85 -0.64 118.95 128.16 2ipt s ARG 94 Ca -0.09 0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 55.86 2ipt s ARG 94 Cb -0.09 -3.21 0.09 0.00 -1.56 0.00 0.00 34.95 30.19 2ipt s ARG 94 CO 0.00 0.68 0.44 0.50 -0.81 0.00 0.00 175.30 176.11 2ipt s ARG 95 N -1.13 0.35 0.66 5.12 3.52 -0.56 -4.34 118.95 122.57 2ipt s ARG 95 Ca 0.25 1.07 -0.04 0.00 -0.13 0.00 0.00 55.73 56.87 2ipt s ARG 95 Cb -0.17 0.37 0.06 0.00 -1.56 0.00 0.00 34.95 33.65 2ipt s ARG 95 CO 0.14 -0.24 0.94 0.00 -0.81 0.00 0.00 175.30 175.33 2ipt s ALA 96 N 2.58 3.41 -0.39 6.12 0.00 -0.67 -2.72 121.76 130.10 2ipt s ALA 96 Ca -0.02 -1.10 0.22 0.00 0.00 0.00 0.00 51.96 51.05 2ipt s ALA 96 Cb -0.12 -2.40 -0.17 0.00 0.00 0.00 0.00 23.12 20.43 2ipt s ALA 96 CO -0.13 -1.16 0.77 1.58 0.00 0.00 0.00 175.76 176.82 2ipt n HIS 97 N -2.75 0.18 -4.43 0.00 -0.00 -0.94 -4.06 115.22 103.23 2ipt n HIS 97 Ca 0.09 0.05 -0.22 0.00 0.46 0.00 0.00 57.72 58.10 2ipt n HIS 97 Cb 0.60 -0.44 -0.10 0.00 -0.12 0.00 0.00 29.99 29.93 2ipt n HIS 97 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2ipt s THR 98 N -3.32 1.96 0.25 3.57 -4.23 -1.26 -4.94 115.64 107.66 2ipt s THR 98 Ca -0.01 -2.23 0.14 0.00 -1.18 0.00 0.00 61.69 58.41 2ipt s THR 98 Cb 0.14 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.70 2ipt s THR 98 CO 0.86 -0.39 1.69 0.71 -0.54 0.00 0.00 174.62 176.95 2ipt h THR 99 N 2.32 1.21 -0.94 3.99 1.35 -1.93 -2.56 112.91 116.34 2ipt h THR 99 Ca -0.40 -1.76 0.05 0.00 -0.55 0.00 0.00 66.41 63.75 2ipt h THR 99 Cb 1.24 1.99 -0.06 0.00 -1.73 0.00 0.00 68.15 69.59 2ipt h THR 99 CO 0.65 0.48 0.61 1.62 -0.25 0.00 0.00 175.52 178.62 2ipt h VAL 100 N 0.00 1.12 0.00 6.82 3.04 -2.00 -2.89 116.25 122.34 2ipt h VAL 100 Ca -0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2ipt h VAL 100 Cb 0.95 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2ipt h VAL 100 CO 0.06 0.21 -1.42 0.18 -1.01 0.00 0.00 177.57 175.59 2ipt n LEU 100 N -4.52 0.46 0.00 3.16 4.77 -1.23 -5.03 117.00 114.61 2ipt n LEU 100 Ca 0.13 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2ipt n LEU 100 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2ipt n LEU 100 CO 0.33 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ipt n GLY 100 N 1.33 0.82 2.63 -0.72 0.00 -0.99 -4.77 105.19 103.48 2ipt n GLY 100 Ca -0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2ipt n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ipt n ASP 100 N 0.00 6.68 -3.57 1.61 5.75 -1.04 -1.66 116.55 124.32 2ipt n ASP 100 Ca 0.00 -3.04 -0.09 0.00 -0.01 0.00 0.00 54.79 51.65 2ipt n ASP 100 Cb 0.00 -1.45 -0.02 0.00 -1.03 0.00 0.00 41.12 38.62 2ipt n ASP 100 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 2ipt s TRP 100 N 0.13 -0.37 -1.18 2.11 -2.14 -1.26 -4.91 118.94 111.32 2ipt s TRP 100 Ca 0.50 0.12 -0.09 0.00 2.66 0.00 0.00 56.10 59.30 2ipt s TRP 100 Cb 0.15 0.59 0.23 0.00 -3.10 0.00 0.00 33.47 31.34 2ipt s TRP 100 CO -0.05 -0.83 1.55 1.19 -2.66 0.00 0.00 176.95 176.14 2ipt n PHE 100 N -0.37 3.54 0.09 1.66 0.99 -1.26 -4.41 117.46 117.69 2ipt n PHE 100 Ca -0.11 -3.03 -0.14 0.00 -0.00 0.00 0.00 57.45 54.17 2ipt n PHE 100 Cb 0.62 -1.75 -0.09 0.00 -1.00 0.00 0.00 39.48 37.27 2ipt n PHE 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ipt h ALA 101 N 6.08 0.25 -3.11 4.37 0.00 -1.92 -3.44 119.26 121.48 2ipt h ALA 101 Ca 0.29 -0.80 -0.67 0.00 0.00 0.00 0.00 54.91 53.73 2ipt h ALA 101 Cb 0.71 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.19 2ipt h ALA 101 CO 1.36 0.90 -0.74 0.71 0.00 0.00 0.00 179.25 181.48 2ipt s TYR 102 N -2.96 2.99 0.12 0.00 1.51 -1.26 -5.07 117.35 112.67 2ipt s TYR 102 Ca -0.05 -1.27 0.11 0.00 -1.01 0.00 0.00 57.07 54.85 2ipt s TYR 102 Cb 0.08 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2ipt s TYR 102 CO 0.87 -0.66 -0.26 -1.58 -1.11 0.00 0.00 175.55 172.81 2ipt s TRP 103 N 1.40 2.26 0.96 2.71 0.52 -1.26 -2.00 118.94 123.53 2ipt s TRP 103 Ca 0.03 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 55.62 2ipt s TRP 103 Cb -0.15 -1.24 0.18 0.00 -1.15 0.00 0.00 33.47 31.11 2ipt s TRP 103 CO -0.05 0.31 1.24 0.20 0.02 0.00 0.00 176.95 178.67 2ipt s GLY 104 N -1.97 1.69 0.43 0.98 0.00 -0.55 -4.65 107.32 103.25 2ipt s GLY 104 Ca 0.13 -0.96 0.28 0.00 0.00 0.00 0.00 44.72 44.16 2ipt s GLY 104 CO 0.05 -0.26 1.79 0.06 0.00 0.00 0.00 173.10 174.75 2ipt h GLN 105 N -1.66 0.00 0.00 2.90 3.07 -1.92 -3.45 115.11 114.05 2ipt h GLN 105 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 2ipt h GLN 105 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2ipt h GLN 105 CO 0.46 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.79 2ipt n GLY 106 N 0.57 2.16 3.17 0.06 0.00 -1.26 -5.02 105.19 104.87 2ipt n GLY 106 Ca 0.03 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2ipt n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ipt s THR 107 N -2.50 1.87 -0.09 2.61 -1.32 0.18 -4.83 115.64 111.56 2ipt s THR 107 Ca 0.00 -0.90 -0.24 0.00 -1.21 0.00 0.00 61.69 59.34 2ipt s THR 107 Cb 0.00 -1.63 -0.03 0.00 -1.51 0.00 0.00 72.50 69.32 2ipt s THR 107 CO 0.00 0.52 0.73 -0.22 -2.21 0.00 0.00 174.62 173.44 2ipt s LEU 108 N 0.50 4.29 -0.15 9.08 2.96 -1.26 0.26 118.68 134.35 2ipt s LEU 108 Ca -0.16 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 2ipt s LEU 108 Cb -0.17 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.40 2ipt s LEU 108 CO 0.06 -0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.04 2ipt s VAL 109 N 1.09 2.40 -0.19 1.68 1.01 -0.21 -4.29 120.40 121.89 2ipt s VAL 109 Ca 0.38 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2ipt s VAL 109 Cb -0.18 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2ipt s VAL 109 CO 0.17 0.53 0.06 -0.89 0.00 0.00 0.00 175.10 174.97 2ipt s THR 110 N 0.88 4.65 -0.31 3.92 2.01 -0.29 -2.01 115.64 124.49 2ipt s THR 110 Ca -0.05 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2ipt s THR 110 Cb -0.15 -3.11 0.06 0.00 0.01 0.00 0.00 72.50 69.31 2ipt s THR 110 CO -0.02 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 2ipt s VAL 111 N 0.59 3.01 -0.16 3.82 1.01 -1.26 -1.48 120.40 125.93 2ipt s VAL 111 Ca 0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 2ipt s VAL 111 Cb -0.13 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2ipt s VAL 111 CO 0.01 -0.17 0.42 -0.55 0.00 0.00 0.00 175.10 174.81 2ipt s SER 112 N 1.30 -0.44 0.00 3.32 0.15 -0.59 -4.25 113.70 113.18 2ipt s SER 112 Ca -0.04 0.85 0.18 0.00 0.70 0.00 0.00 55.95 57.65 2ipt s SER 112 Cb -0.20 0.85 0.69 0.00 -1.71 0.00 0.00 66.02 65.65 2ipt s SER 112 CO -0.01 -0.15 1.50 0.00 1.20 0.00 0.00 173.24 175.77 2ipt n ALA 113 N 2.95 2.51 -1.76 5.45 0.00 -1.26 -4.06 120.51 124.34 2ipt n ALA 113 Ca -0.14 -0.49 -0.37 0.00 0.00 0.00 0.00 53.44 52.44 2ipt n ALA 113 Cb 0.57 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.94 2ipt n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ipt s ALA 114 N -1.77 2.88 0.27 0.00 0.00 -1.26 -5.05 121.76 116.83 2ipt s ALA 114 Ca 0.29 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2ipt s ALA 114 Cb 0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2ipt s ALA 114 CO 0.23 -0.89 0.43 0.15 0.00 0.00 0.00 175.76 175.68 2ipt s LYS 115 N -2.84 3.47 0.05 0.00 -0.14 -1.26 -5.04 119.74 113.98 2ipt s LYS 115 Ca 0.67 -0.52 -0.34 0.00 -1.36 0.00 0.00 55.97 54.42 2ipt s LYS 115 Cb -0.32 -2.80 -0.13 0.00 -1.68 0.00 0.00 37.83 32.90 2ipt s LYS 115 CO 0.37 0.32 1.68 2.41 -0.76 0.00 0.00 175.35 179.37 2ipt n THR 116 N -1.39 0.22 -3.74 2.17 -1.04 -1.26 -4.67 114.28 104.57 2ipt n THR 116 Ca -0.07 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 2ipt n THR 116 Cb 0.56 -1.60 -0.17 0.00 -1.82 0.00 0.00 70.33 67.30 2ipt n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2ipt s THR 117 N 2.11 -0.00 0.32 12.58 2.01 0.36 -4.96 115.64 128.06 2ipt s THR 117 Ca 0.85 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 2ipt s THR 117 Cb -0.71 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 2ipt s THR 117 CO 0.44 0.16 1.07 0.00 -0.69 0.00 0.00 174.62 175.61 2ipt s ALA 118 N 1.73 3.30 0.60 7.40 0.00 -1.26 -1.89 121.76 131.64 2ipt s ALA 118 Ca -0.00 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 2ipt s ALA 118 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2ipt s ALA 118 CO -0.03 -0.15 1.04 -1.25 0.00 0.00 0.00 175.76 175.37 2ipt s PRO 119 N -1.76 3.43 0.04 0.00 0.04 -1.26 -4.59 135.00 130.89 2ipt s PRO 119 Ca 0.48 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 2ipt s PRO 119 Cb -0.28 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 2ipt s PRO 119 CO 0.36 -0.71 0.41 -1.12 0.04 0.00 0.00 177.00 175.98 2ipt s SER 120 N -3.32 6.74 -0.18 6.66 0.01 -0.22 -4.91 113.70 118.47 2ipt s SER 120 Ca 0.60 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.74 2ipt s SER 120 Cb -0.13 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2ipt s SER 120 CO 0.43 0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 173.51 2ipt s VAL 121 N -1.24 2.77 -0.08 3.43 1.01 -1.26 -0.71 120.40 124.32 2ipt s VAL 121 Ca 0.28 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2ipt s VAL 121 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2ipt s VAL 121 CO 0.16 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.20 2ipt s TYR 122 N 1.12 2.52 0.34 5.22 2.02 0.62 -4.97 117.35 124.21 2ipt s TYR 122 Ca 0.01 -0.84 -0.25 0.00 -0.37 0.00 0.00 57.07 55.61 2ipt s TYR 122 Cb -0.14 -1.66 -0.10 0.00 -0.40 0.00 0.00 41.96 39.66 2ipt s TYR 122 CO -0.04 -0.29 0.96 -1.25 -1.57 0.00 0.00 175.55 173.35 2ipt s PRO 123 N 0.07 4.52 -0.37 -1.71 0.04 -1.26 -0.67 135.00 135.62 2ipt s PRO 123 Ca -0.10 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2ipt s PRO 123 Cb -0.16 -2.73 0.11 0.00 0.04 0.00 0.00 34.50 31.76 2ipt s PRO 123 CO 0.06 0.21 0.11 -0.51 0.04 0.00 0.00 177.00 176.91 2ipt s LEU 124 N -2.19 4.00 0.13 -3.56 1.43 0.23 -4.89 118.68 113.82 2ipt s LEU 124 Ca 0.52 -2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.22 2ipt s LEU 124 Cb -0.18 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 2ipt s LEU 124 CO 0.23 -0.36 0.60 0.00 0.23 0.00 0.00 176.35 177.06 2ipt s ALA 125 N 0.83 3.55 0.58 4.21 0.00 -1.26 -1.56 121.76 128.09 2ipt s ALA 125 Ca 0.12 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 2ipt s ALA 125 Cb -0.20 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 2ipt s ALA 125 CO -0.10 0.40 0.83 -2.30 0.00 0.00 0.00 175.76 174.59 2ipt n PRO 126 N 1.21 0.80 -2.19 0.00 -0.02 -1.26 -4.94 135.00 128.61 2ipt n PRO 126 Ca -0.07 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 2ipt n PRO 126 Cb 0.51 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2ipt n PRO 126 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ipt s VAL 127 N -1.56 2.97 0.29 -1.45 -7.23 -1.26 -4.68 120.40 107.48 2ipt s VAL 127 Ca 0.73 0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 61.54 2ipt s VAL 127 Cb -0.44 -3.57 -0.16 0.00 0.56 0.00 0.00 36.38 32.77 2ipt s VAL 127 CO 0.50 0.18 0.46 0.00 -0.31 0.00 0.00 175.10 175.93 2ipt n GLY 129 N 1.99 -0.75 0.00 0.00 0.00 -1.26 -5.03 105.19 100.13 2ipt n GLY 129 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2ipt n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ipt n GLY 130 N 0.59 -1.83 2.13 -0.02 0.00 -1.26 -4.91 105.19 99.89 2ipt n GLY 130 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2ipt n GLY 130 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ipt n THR 131 N -0.59 0.00 -2.47 2.61 5.66 -1.26 -5.01 114.28 113.22 2ipt n THR 131 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 2ipt n THR 131 Cb 0.00 -0.03 0.01 0.00 -1.55 0.00 0.00 70.33 68.76 2ipt n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2ipt n THR 132 N -3.09 2.06 -2.90 1.09 -2.24 -1.26 -4.97 114.28 102.97 2ipt n THR 132 Ca 0.00 -4.36 0.00 0.00 -2.27 0.00 0.00 64.05 57.42 2ipt n THR 132 Cb 0.00 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 2ipt n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ipt n GLY 133 N -0.43 3.78 0.13 3.38 0.00 -1.26 -5.09 105.19 105.69 2ipt n GLY 133 Ca 0.32 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2ipt n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ipt h SER 134 N 0.00 0.00 -4.00 1.61 4.64 -1.97 -3.44 113.55 110.39 2ipt h SER 134 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2ipt h SER 134 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 2ipt h SER 134 CO 0.00 0.17 -0.85 -0.44 -0.87 0.00 0.00 176.83 174.85 2ipt s SER 135 N -5.65 3.49 -0.01 4.97 0.01 -1.26 -1.75 113.70 113.50 2ipt s SER 135 Ca 0.00 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2ipt s SER 135 Cb 0.09 -0.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2ipt s SER 135 CO 0.78 0.22 -0.24 0.54 0.41 0.00 0.00 173.24 174.94 2ipt s VAL 136 N -0.98 1.94 -0.13 3.43 0.11 0.42 -4.75 120.40 120.44 2ipt s VAL 136 Ca 0.14 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2ipt s VAL 136 Cb -0.10 -1.62 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 2ipt s VAL 136 CO 0.06 0.50 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.31 2ipt s THR 137 N -0.61 3.04 0.41 5.04 2.01 -1.26 -1.27 115.64 123.00 2ipt s THR 137 Ca 0.10 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2ipt s THR 137 Cb -0.09 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 2ipt s THR 137 CO -0.00 0.53 0.10 -0.76 -0.69 0.00 0.00 174.62 173.79 2ipt s LEU 138 N 0.30 3.00 0.24 4.42 1.43 0.76 -4.39 118.68 124.45 2ipt s LEU 138 Ca -0.10 -1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 51.65 2ipt s LEU 138 Cb -0.16 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 2ipt s LEU 138 CO 0.06 -0.49 0.48 -0.83 0.23 0.00 0.00 176.35 175.79 2ipt s GLY 139 N -3.81 0.44 -0.12 -3.19 0.00 -0.60 -1.07 107.32 98.98 2ipt s GLY 139 Ca 0.38 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 2ipt s GLY 139 CO 0.20 -0.58 0.27 0.00 0.00 0.00 0.00 173.10 173.00 2ipt s LEU 141 N 1.24 2.46 -0.36 0.00 2.96 0.16 -1.44 118.68 123.70 2ipt s LEU 141 Ca -0.09 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 2ipt s LEU 141 Cb -0.10 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.09 2ipt s LEU 141 CO -0.09 0.04 0.12 -0.69 -1.32 0.00 0.00 176.35 174.41 2ipt s VAL 142 N 1.11 3.38 -0.12 1.68 1.01 0.70 -0.27 120.40 127.90 2ipt s VAL 142 Ca 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.42 2ipt s VAL 142 Cb -0.14 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2ipt s VAL 142 CO -0.05 -0.39 -0.21 -0.75 0.00 0.00 0.00 175.10 173.71 2ipt s LYS 143 N 1.26 3.12 0.00 2.72 2.20 0.11 -0.84 119.74 128.31 2ipt s LYS 143 Ca 0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 2ipt s LYS 143 Cb -0.21 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2ipt s LYS 143 CO -0.01 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 2ipt n GLY 144 N 3.64 0.51 3.54 5.54 0.00 -0.21 -1.06 105.19 117.15 2ipt n GLY 144 Ca -0.19 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2ipt n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ipt s TYR 145 N -2.87 2.54 -0.23 1.61 1.13 -0.60 -4.10 117.35 114.83 2ipt s TYR 145 Ca 0.00 -0.26 -0.24 0.00 -1.41 0.00 0.00 57.07 55.16 2ipt s TYR 145 Cb 0.00 -1.22 0.07 0.00 -1.10 0.00 0.00 41.96 39.70 2ipt s TYR 145 CO 0.00 0.54 0.68 0.12 -2.51 0.00 0.00 175.55 174.37 2ipt s PHE 146 N -1.82 -0.74 0.83 -3.49 5.36 -0.79 0.54 117.98 117.88 2ipt s PHE 146 Ca 0.25 1.75 -0.14 0.00 -0.96 0.00 0.00 56.93 57.83 2ipt s PHE 146 Cb -0.08 0.27 0.19 0.00 -0.34 0.00 0.00 43.02 43.06 2ipt s PHE 146 CO 0.14 -0.38 1.09 -0.35 -1.46 0.00 0.00 175.22 174.26 2ipt n PRO 147 N 2.52 -1.24 -1.69 10.12 -0.04 -1.26 -0.49 135.00 142.93 2ipt n PRO 147 Ca -0.14 -1.69 -0.32 0.00 -0.04 0.00 0.00 63.50 61.31 2ipt n PRO 147 Cb 0.55 -1.16 0.05 0.00 -0.04 0.00 0.00 33.50 32.90 2ipt n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ipt s GLU 148 N -5.39 2.83 0.52 0.54 2.02 -1.26 -4.74 118.70 113.22 2ipt s GLU 148 Ca 0.62 1.22 0.08 0.00 0.02 0.00 0.00 54.97 56.91 2ipt s GLU 148 Cb -0.02 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.29 2ipt s GLU 148 CO 0.44 -1.20 0.59 -1.25 0.02 0.00 0.00 175.26 173.86 2ipt s PRO 149 N -4.44 2.39 0.19 0.39 0.04 -1.26 -4.99 135.00 127.32 2ipt s PRO 149 Ca 0.63 -1.69 0.08 0.00 0.04 0.00 0.00 61.00 60.06 2ipt s PRO 149 Cb -0.17 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2ipt s PRO 149 CO 0.46 -0.62 -0.02 0.14 0.04 0.00 0.00 177.00 177.00 2ipt s VAL 150 N -2.63 3.58 -0.00 -0.36 -7.23 -1.26 -4.36 120.40 108.13 2ipt s VAL 150 Ca 0.51 -1.54 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2ipt s VAL 150 Cb -0.05 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2ipt s VAL 150 CO 0.31 -0.15 -0.21 0.42 -0.31 0.00 0.00 175.10 175.16 2ipt s THR 151 N -1.82 2.49 -0.02 5.32 -4.23 -0.34 -4.98 115.64 112.06 2ipt s THR 151 Ca 0.28 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2ipt s THR 151 Cb -0.09 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.82 2ipt s THR 151 CO 0.18 0.49 0.00 -0.22 -0.54 0.00 0.00 174.62 174.53 2ipt s LEU 152 N -0.94 1.28 0.28 4.79 0.20 -1.26 -0.85 118.68 122.19 2ipt s LEU 152 Ca 0.12 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.94 2ipt s LEU 152 Cb -0.10 -0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.44 2ipt s LEU 152 CO 0.01 -0.09 0.10 0.42 -0.29 0.00 0.00 176.35 176.51 2ipt s THR 153 N 0.85 0.64 -0.09 3.68 -4.23 -0.27 -4.99 115.64 111.23 2ipt s THR 153 Ca -0.08 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 2ipt s THR 153 Cb -0.11 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2ipt s THR 153 CO -0.02 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.13 2ipt s TRP 154 N -3.63 2.14 -1.42 3.99 0.52 -1.25 -0.64 118.94 118.66 2ipt s TRP 154 Ca 0.37 -0.90 -0.01 0.00 0.02 0.00 0.00 56.10 55.57 2ipt s TRP 154 Cb 0.07 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 2ipt s TRP 154 CO 0.15 -0.40 0.48 0.09 0.02 0.00 0.00 176.95 177.28 2ipt n ASN 155 N 3.76 -0.65 -1.75 2.95 3.02 -0.00 -1.67 115.26 120.91 2ipt n ASN 155 Ca -0.20 -0.98 -0.20 0.00 -0.03 0.00 0.00 54.58 53.16 2ipt n ASN 155 Cb 0.52 -3.16 -0.07 0.00 -0.61 0.00 0.00 39.78 36.47 2ipt n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ipt n SER 156 N -2.97 -5.55 0.00 6.41 7.64 -1.26 -0.15 113.62 117.74 2ipt n SER 156 Ca -0.28 0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2ipt n SER 156 Cb 0.67 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2ipt n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ipt n GLY 157 N -0.60 3.19 0.28 0.23 0.00 -0.67 -4.94 105.19 102.68 2ipt n GLY 157 Ca -0.21 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.98 2ipt n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ipt h SER 158 N 0.00 0.00 -3.58 1.61 4.64 -0.42 -3.18 113.55 112.63 2ipt h SER 158 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2ipt h SER 158 Cb 0.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.83 2ipt h SER 158 CO 0.00 0.00 -0.52 -0.76 -0.87 0.00 0.00 176.83 174.68 2ipt s LEU 159 N -6.10 4.73 -0.01 5.97 1.43 -0.87 -4.94 118.68 118.90 2ipt s LEU 159 Ca 0.01 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2ipt s LEU 159 Cb 0.09 -1.99 0.13 0.00 0.03 0.00 0.00 46.19 44.45 2ipt s LEU 159 CO 0.52 -0.40 1.05 -0.24 0.23 0.00 0.00 176.35 177.51 2ipt n SER 160 N 4.95 0.35 -3.83 2.29 2.88 -1.20 -3.95 113.62 115.12 2ipt n SER 160 Ca -0.12 -2.05 -0.12 0.00 -1.33 0.00 0.00 58.87 55.25 2ipt n SER 160 Cb 0.45 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.61 2ipt n SER 160 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ipt s SER 161 N -1.35 0.35 0.00 -3.46 0.15 -1.26 -4.79 113.70 103.34 2ipt s SER 161 Ca 0.11 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2ipt s SER 161 Cb 0.12 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2ipt s SER 161 CO -0.05 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2ipt n GLY 162 N -0.41 0.18 3.68 9.45 0.00 -1.26 -4.78 105.19 112.04 2ipt n GLY 162 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2ipt n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipt s VAL 163 N -1.37 4.71 -0.20 1.61 1.01 -1.26 -0.77 120.40 124.11 2ipt s VAL 163 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2ipt s VAL 163 Cb 0.00 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.36 2ipt s VAL 163 CO 0.00 0.53 -0.09 -1.00 0.00 0.00 0.00 175.10 174.54 2ipt s HIS 164 N -0.21 2.37 -0.19 5.22 3.76 0.01 -5.00 115.29 121.25 2ipt s HIS 164 Ca 0.07 -1.60 -0.05 0.00 -0.15 0.00 0.00 55.06 53.34 2ipt s HIS 164 Cb -0.12 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 2ipt s HIS 164 CO 0.02 -0.74 -0.01 0.99 -0.85 0.00 0.00 174.74 174.14 2ipt s THR 165 N 1.41 3.89 0.10 1.30 2.01 -1.26 -0.36 115.64 122.73 2ipt s THR 165 Ca -0.02 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 2ipt s THR 165 Cb -0.17 -2.75 -0.06 0.00 0.01 0.00 0.00 72.50 69.54 2ipt s THR 165 CO -0.08 0.44 0.40 -0.36 -0.69 0.00 0.00 174.62 174.33 2ipt s PHE 166 N 0.87 3.55 0.32 4.92 0.40 -0.02 -5.00 117.98 123.01 2ipt s PHE 166 Ca 0.00 0.72 -0.29 0.00 -0.60 0.00 0.00 56.93 56.77 2ipt s PHE 166 Cb -0.14 -2.12 -0.13 0.00 0.51 0.00 0.00 43.02 41.14 2ipt s PHE 166 CO 0.02 0.49 1.30 -2.30 0.70 0.00 0.00 175.22 175.43 2ipt n PRO 167 N 0.66 2.09 -1.90 0.24 -0.02 -1.26 -4.45 135.00 130.35 2ipt n PRO 167 Ca -0.06 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 2ipt n PRO 167 Cb 0.52 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2ipt n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ipt s ALA 168 N -0.92 3.03 0.23 3.55 0.00 -1.26 -4.83 121.76 121.55 2ipt s ALA 168 Ca 0.58 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.93 2ipt s ALA 168 Cb -0.58 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 2ipt s ALA 168 CO 0.60 -1.13 -0.18 0.14 0.00 0.00 0.00 175.76 175.20 2ipt s VAL 169 N -1.30 2.07 -0.21 0.00 -7.23 -0.43 -4.95 120.40 108.36 2ipt s VAL 169 Ca 0.65 -2.23 -0.16 0.00 -1.81 0.00 0.00 61.98 58.43 2ipt s VAL 169 Cb -0.39 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2ipt s VAL 169 CO 0.48 -0.44 0.41 -0.22 -0.31 0.00 0.00 175.10 175.02 2ipt s LEU 170 N -3.24 4.14 -0.23 1.32 2.96 -1.26 -1.03 118.68 121.34 2ipt s LEU 170 Ca 0.24 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2ipt s LEU 170 Cb -0.04 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.18 2ipt s LEU 170 CO 0.10 -0.10 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.41 2ipt s GLN 171 N 1.44 1.49 2.25 1.98 0.74 0.47 -4.92 119.66 123.12 2ipt s GLN 171 Ca 0.19 -0.89 0.00 0.00 0.05 0.00 0.00 55.36 54.71 2ipt s GLN 171 Cb -0.15 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.46 2ipt s GLN 171 CO 0.08 -0.59 0.00 0.45 -0.55 0.00 0.00 175.29 174.68 2ipt n SER 172 N 4.73 0.00 0.00 6.67 2.88 -1.26 -2.16 113.62 124.49 2ipt n SER 172 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2ipt n SER 172 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2ipt n SER 172 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ipt n GLY 173 N 0.00 1.93 3.34 0.46 0.00 -1.26 -5.03 105.19 104.62 2ipt n GLY 173 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 2ipt n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ipt s LEU 174 N 0.00 2.39 0.28 0.99 1.43 -0.92 -4.76 118.68 118.10 2ipt s LEU 174 Ca 0.00 -0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 2ipt s LEU 174 Cb 0.00 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 2ipt s LEU 174 CO 0.00 0.04 0.61 -0.31 0.23 0.00 0.00 176.35 176.92 2ipt s TYR 175 N -1.66 3.43 -0.01 0.29 2.02 0.19 -0.39 117.35 121.22 2ipt s TYR 175 Ca 0.14 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.76 2ipt s TYR 175 Cb -0.08 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2ipt s TYR 175 CO 0.07 0.17 -0.04 0.99 -1.57 0.00 0.00 175.55 175.16 2ipt s THR 176 N -1.98 0.35 0.02 -0.71 2.01 -0.20 -1.04 115.64 114.09 2ipt s THR 176 Ca 0.48 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2ipt s THR 176 Cb -0.11 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2ipt s THR 176 CO 0.24 0.11 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.00 2ipt s LEU 177 N 0.07 2.16 0.18 4.42 0.20 -0.02 -1.31 118.68 124.38 2ipt s LEU 177 Ca -0.00 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.52 2ipt s LEU 177 Cb -0.04 -0.16 -0.05 0.00 -0.43 0.00 0.00 46.19 45.51 2ipt s LEU 177 CO -0.00 -0.11 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.89 2ipt s SER 178 N -0.99 2.21 -0.08 3.68 1.04 -1.26 -0.21 113.70 118.09 2ipt s SER 178 Ca -0.06 -1.03 -0.07 0.00 0.48 0.00 0.00 55.95 55.27 2ipt s SER 178 Cb -0.07 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.00 2ipt s SER 178 CO 0.00 -0.26 0.20 -0.55 0.98 0.00 0.00 173.24 173.62 2ipt s SER 179 N -3.25 -0.21 0.09 7.02 0.15 -0.52 -0.84 113.70 116.12 2ipt s SER 179 Ca 0.20 0.41 0.08 0.00 0.70 0.00 0.00 55.95 57.35 2ipt s SER 179 Cb 0.01 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2ipt s SER 179 CO 0.04 -0.08 -0.17 -0.94 1.20 0.00 0.00 173.24 173.30 2ipt s SER 180 N 0.17 3.91 -0.02 5.45 1.04 0.51 -0.94 113.70 123.82 2ipt s SER 180 Ca -0.00 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 55.97 2ipt s SER 180 Cb -0.02 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 2ipt s SER 180 CO -0.00 0.21 -0.13 0.54 0.98 0.00 0.00 173.24 174.84 2ipt s VAL 181 N -1.07 1.02 -0.16 5.02 0.11 -0.23 -0.81 120.40 124.29 2ipt s VAL 181 Ca 0.17 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 2ipt s VAL 181 Cb -0.11 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2ipt s VAL 181 CO 0.09 0.30 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.09 2ipt s THR 182 N -0.11 2.37 0.27 5.04 2.01 0.05 -0.17 115.64 125.09 2ipt s THR 182 Ca 0.01 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.20 2ipt s THR 182 Cb -0.07 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 2ipt s THR 182 CO 0.00 0.53 -0.02 0.68 -0.69 0.00 0.00 174.62 175.12 2ipt s VAL 183 N 0.99 1.34 0.33 3.82 -7.23 -0.39 -4.59 120.40 114.67 2ipt s VAL 183 Ca -0.02 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 57.79 2ipt s VAL 183 Cb -0.15 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.24 2ipt s VAL 183 CO -0.04 -0.28 1.46 -0.89 -0.31 0.00 0.00 175.10 175.04 2ipt s THR 184 N -3.21 2.31 0.46 5.32 2.01 -1.26 -0.44 115.64 120.84 2ipt s THR 184 Ca 0.30 0.29 0.21 0.00 0.31 0.00 0.00 61.69 62.80 2ipt s THR 184 Cb 0.05 -3.19 0.39 0.00 0.01 0.00 0.00 72.50 69.77 2ipt s THR 184 CO 0.11 0.06 1.91 0.28 -0.69 0.00 0.00 174.62 176.29 2ipt h SER 185 N 3.82 0.25 1.15 3.53 0.02 -1.63 -0.17 113.55 120.53 2ipt h SER 185 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2ipt h SER 185 Cb 1.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ipt h SER 185 CO 0.70 0.12 0.00 0.77 -1.14 0.00 0.00 176.83 177.27 2ipt h SER 186 N 0.26 0.00 -0.04 3.07 4.64 -1.91 -3.29 113.55 116.29 2ipt h SER 186 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 2ipt h SER 186 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2ipt h SER 186 CO -0.10 0.00 -0.19 0.74 -0.87 0.00 0.00 176.83 176.42 2ipt h THR 187 N 0.00 1.48 -4.32 2.95 2.02 -1.39 -3.42 112.91 110.23 2ipt h THR 187 Ca 0.00 -1.68 -0.64 0.00 0.77 0.00 0.00 66.41 64.87 2ipt h THR 187 Cb 0.58 2.47 -0.30 0.00 -1.74 0.00 0.00 68.15 69.15 2ipt h THR 187 CO 0.00 0.46 -0.87 0.86 0.37 0.00 0.00 175.52 176.35 2ipt s TRP 188 N -3.57 2.06 -2.03 3.16 -0.00 -1.24 0.43 118.94 117.75 2ipt s TRP 188 Ca -0.15 -0.46 0.31 0.00 -0.00 0.00 0.00 56.10 55.79 2ipt s TRP 188 Cb 0.02 -1.34 1.64 0.00 -0.00 0.00 0.00 33.47 33.79 2ipt s TRP 188 CO 0.73 -0.09 2.08 -0.35 -0.00 0.00 0.00 176.95 179.33 2ipt n PRO 189 N 2.70 1.06 -0.24 5.86 -0.04 -1.26 -4.80 135.00 138.28 2ipt n PRO 189 Ca -0.16 -0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.01 2ipt n PRO 189 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 2ipt n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ipt h SER 190 N 0.53 1.05 -2.96 3.54 4.64 -1.80 -3.39 113.55 115.15 2ipt h SER 190 Ca 0.00 -0.23 -0.65 0.00 -0.47 0.00 0.00 61.79 60.44 2ipt h SER 190 Cb 0.16 -0.28 -0.10 0.00 -0.31 0.00 0.00 62.40 61.87 2ipt h SER 190 CO 0.00 1.02 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.37 2ipt s GLN 191 N -5.25 3.64 0.33 4.77 -0.21 0.17 -5.08 119.66 118.03 2ipt s GLN 191 Ca -0.12 -0.21 -0.28 0.00 0.02 0.00 0.00 55.36 54.77 2ipt s GLN 191 Cb 0.15 -3.20 -0.09 0.00 1.00 0.00 0.00 33.01 30.86 2ipt s GLN 191 CO 0.85 0.59 1.15 -1.54 -2.12 0.00 0.00 175.29 174.21 2ipt s SER 192 N -0.49 6.96 -0.08 5.90 1.04 -1.26 -4.42 113.70 121.34 2ipt s SER 192 Ca 0.11 2.34 0.02 0.00 0.48 0.00 0.00 55.95 58.91 2ipt s SER 192 Cb -0.12 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.39 2ipt s SER 192 CO 0.02 -0.37 -0.15 -0.63 0.98 0.00 0.00 173.24 173.09 2ipt s ILE 193 N -1.26 1.41 -0.04 -1.02 1.01 -1.26 -4.99 121.20 115.05 2ipt s ILE 193 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2ipt s ILE 193 Cb -0.32 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2ipt s ILE 193 CO 0.41 0.42 -0.11 -0.89 0.00 0.00 0.00 174.94 174.77 2ipt s THR 194 N 0.68 0.98 -0.24 2.92 2.01 -1.26 -1.39 115.64 119.33 2ipt s THR 194 Ca -0.14 -0.45 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2ipt s THR 194 Cb -0.16 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 2ipt s THR 194 CO 0.04 0.30 0.66 0.00 -0.69 0.00 0.00 174.62 174.93 2ipt s ASN 196 N 1.39 4.96 -0.03 0.00 -0.87 0.19 -0.21 114.94 120.38 2ipt s ASN 196 Ca 0.28 -0.70 0.07 0.00 -1.57 0.00 0.00 52.86 50.94 2ipt s ASN 196 Cb -0.16 -1.84 -0.02 0.00 -0.02 0.00 0.00 41.25 39.22 2ipt s ASN 196 CO 0.09 -0.17 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.52 2ipt s VAL 197 N 1.48 1.94 -0.07 1.60 1.01 0.13 -1.11 120.40 125.38 2ipt s VAL 197 Ca 0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2ipt s VAL 197 Cb -0.17 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2ipt s VAL 197 CO 0.01 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 2ipt s ALA 198 N -0.43 1.26 -0.57 5.51 0.00 -0.03 -0.31 121.76 127.19 2ipt s ALA 198 Ca 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2ipt s ALA 198 Cb -0.11 -0.57 0.14 0.00 0.00 0.00 0.00 23.12 22.59 2ipt s ALA 198 CO 0.01 0.11 0.34 -1.58 0.00 0.00 0.00 175.76 174.63 2ipt s HIS 199 N 0.67 3.28 0.29 0.00 2.46 -0.42 -1.19 115.29 120.39 2ipt s HIS 199 Ca -0.14 -3.10 0.04 0.00 0.47 0.00 0.00 55.06 52.32 2ipt s HIS 199 Cb -0.16 -2.90 0.76 0.00 -0.13 0.00 0.00 32.58 30.16 2ipt s HIS 199 CO 0.04 -0.74 1.67 -1.35 -2.47 0.00 0.00 174.74 171.89 2ipt h PRO 200 N 6.46 0.31 0.00 2.88 0.11 -1.77 -2.00 132.00 137.99 2ipt h PRO 200 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2ipt h PRO 200 Cb 0.89 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2ipt h PRO 200 CO 0.70 0.21 -0.20 0.00 -0.21 0.00 0.00 178.00 178.50 2ipt h ALA 201 N 1.75 1.42 -0.59 -0.75 0.00 -1.90 -0.93 119.26 118.25 2ipt h ALA 201 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2ipt h ALA 201 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ipt h ALA 201 CO -0.58 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 2ipt n SER 202 N -3.93 3.61 -2.18 0.00 3.41 -0.81 -4.95 113.62 108.77 2ipt n SER 202 Ca -0.02 -1.99 -0.17 0.00 -0.26 0.00 0.00 58.87 56.43 2ipt n SER 202 Cb 0.29 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2ipt n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ipt n SER 203 N 1.30 -4.94 -4.73 4.04 7.64 -0.35 -4.95 113.62 111.62 2ipt n SER 203 Ca 0.20 0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.84 2ipt n SER 203 Cb 0.56 -4.21 -0.05 0.00 -1.01 0.00 0.00 64.21 59.50 2ipt n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ipt s THR 204 N -2.76 4.75 -0.04 0.44 2.01 -0.86 -4.96 115.64 114.21 2ipt s THR 204 Ca 0.00 1.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.71 2ipt s THR 204 Cb 0.00 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.38 2ipt s THR 204 CO 0.00 0.32 0.04 -0.54 -0.69 0.00 0.00 174.62 173.75 2ipt s LYS 205 N 0.17 0.08 -0.04 4.92 1.02 -1.26 -1.30 119.74 123.34 2ipt s LYS 205 Ca 0.41 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.70 2ipt s LYS 205 Cb -0.21 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.56 2ipt s LYS 205 CO 0.24 -0.29 -0.06 0.08 -0.92 0.00 0.00 175.35 174.40 2ipt s VAL 206 N 1.90 0.62 -0.27 3.17 1.01 0.58 -5.00 120.40 122.41 2ipt s VAL 206 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2ipt s VAL 206 Cb -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2ipt s VAL 206 CO -0.03 0.23 0.00 -1.81 0.00 0.00 0.00 175.10 173.49 2ipt s ASP 207 N 0.62 4.68 -0.32 3.32 1.01 -1.26 0.21 116.67 124.93 2ipt s ASP 207 Ca -0.09 -0.77 -0.03 0.00 0.71 0.00 0.00 52.55 52.38 2ipt s ASP 207 Cb -0.12 -1.77 0.05 0.00 1.01 0.00 0.00 42.92 42.10 2ipt s ASP 207 CO 0.01 -0.15 0.04 -0.75 0.21 0.00 0.00 175.17 174.52 2ipt s LYS 208 N 1.41 2.41 0.18 8.23 2.47 0.71 -4.94 119.74 130.21 2ipt s LYS 208 Ca 0.02 -1.31 -0.30 0.00 -1.56 0.00 0.00 55.97 52.82 2ipt s LYS 208 Cb -0.17 -3.26 -0.08 0.00 -1.46 0.00 0.00 37.83 32.86 2ipt s LYS 208 CO -0.01 -0.67 1.18 0.21 0.16 0.00 0.00 175.35 176.21 2ipt s LYS 209 N 1.26 4.51 -0.41 4.03 2.20 -1.26 -0.57 119.74 129.50 2ipt s LYS 209 Ca -0.03 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.17 2ipt s LYS 209 Cb -0.20 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2ipt s LYS 209 CO -0.01 -0.06 0.86 0.42 -0.36 0.00 0.00 175.35 176.20 2ipt s ILE 210 N -0.06 4.60 -0.08 5.43 -1.09 -0.49 -4.90 121.20 124.61 2ipt s ILE 210 Ca 0.52 0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 59.67 2ipt s ILE 210 Cb -0.32 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.18 2ipt s ILE 210 CO 0.36 -0.64 0.22 -1.61 -1.23 0.00 0.00 174.94 172.04 2ipt s GLU 211 N 3.44 3.58 0.72 2.79 0.41 -1.26 -4.68 118.70 123.70 2ipt s GLU 211 Ca 0.34 0.03 -0.13 0.00 -0.41 0.00 0.00 54.97 54.80 2ipt s GLU 211 Cb -0.12 -3.20 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2ipt s GLU 211 CO 0.22 0.75 1.12 -1.25 -0.49 0.00 0.00 175.26 175.61 2ipt s PRO 212 N -1.07 2.40 0.00 0.39 0.04 -1.26 -4.73 135.00 130.77 2ipt s PRO 212 Ca 0.18 1.40 0.30 0.00 0.04 0.00 0.00 61.00 62.92 2ipt s PRO 212 Cb -0.13 -1.90 1.52 0.00 0.04 0.00 0.00 34.50 34.03 2ipt s PRO 212 CO 0.07 -1.56 2.01 0.54 0.04 0.00 0.00 177.00 178.10