#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrh s VAL 2 N 0.00 3.98 0.19 0.00 1.01 -1.26 -3.59 120.40 120.73 1jrh s VAL 2 Ca 0.00 0.94 0.09 0.00 0.00 0.00 0.00 61.98 63.01 1jrh s VAL 2 Cb 0.00 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1jrh s VAL 2 CO 0.00 -1.03 -0.18 -1.59 0.00 0.00 0.00 175.10 172.30 1jrh s LYS 3 N 4.95 1.36 -0.04 2.72 -2.85 -0.41 -4.97 119.74 120.50 1jrh s LYS 3 Ca 0.52 -1.52 -0.02 0.00 -1.00 0.00 0.00 55.97 53.96 1jrh s LYS 3 Cb -0.10 -1.37 0.03 0.00 -2.06 0.00 0.00 37.83 34.33 1jrh s LYS 3 CO 0.29 0.26 0.09 -0.51 0.10 0.00 0.00 175.35 175.59 1jrh s LEU 4 N -2.97 1.01 -0.02 2.77 1.02 -1.26 -1.96 118.68 117.27 1jrh s LEU 4 Ca 0.20 0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.56 1jrh s LEU 4 Cb -0.04 0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.37 1jrh s LEU 4 CO 0.08 -0.12 -0.08 -1.58 0.02 0.00 0.00 176.35 174.67 1jrh s GLN 5 N 0.94 0.81 -0.16 1.70 0.74 0.12 -3.87 119.66 119.94 1jrh s GLN 5 Ca -0.07 -0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.01 1jrh s GLN 5 Cb -0.10 -0.77 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 1jrh s GLN 5 CO -0.04 0.10 0.07 -1.21 -0.55 0.00 0.00 175.29 173.66 1jrh s GLU 6 N 0.17 3.75 -0.07 1.67 8.01 -1.26 -0.15 118.70 130.82 1jrh s GLU 6 Ca -0.02 -0.31 0.04 0.00 0.01 0.00 0.00 54.97 54.69 1jrh s GLU 6 Cb -0.07 -3.16 -0.02 0.00 -4.31 0.00 0.00 34.13 26.57 1jrh s GLU 6 CO 0.00 0.43 -0.18 -1.12 0.01 0.00 0.00 175.26 174.40 1jrh s SER 7 N -0.06 3.71 0.15 -0.19 0.01 0.64 -4.50 113.70 113.46 1jrh s SER 7 Ca 0.07 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1jrh s SER 7 Cb -0.12 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1jrh s SER 7 CO 0.01 0.28 0.17 -0.83 0.41 0.00 0.00 173.24 173.28 1jrh s GLY 8 N -0.36 0.79 0.63 3.44 0.00 -1.26 -1.44 107.32 109.11 1jrh s GLY 8 Ca 0.03 -1.22 0.41 0.00 0.00 0.00 0.00 44.72 43.94 1jrh s GLY 8 CO 0.02 -1.13 2.23 -0.56 0.00 0.00 0.00 173.10 173.67 1jrh h PRO 9 N 2.70 0.00 0.00 2.90 0.13 -1.93 -3.48 132.00 132.32 1jrh h PRO 9 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1jrh h PRO 9 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jrh h PRO 9 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1jrh n GLY 10 N -0.67 2.09 3.17 1.56 0.00 -1.26 -4.83 105.19 105.24 1jrh n GLY 10 Ca -0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1jrh n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrh s ILE 11 N 0.00 1.74 0.00 -0.61 1.01 -1.26 -1.35 121.20 120.73 1jrh s ILE 11 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1jrh s ILE 11 Cb 0.00 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1jrh s ILE 11 CO 0.00 0.49 0.04 -0.22 0.00 0.00 0.00 174.94 175.25 1jrh s LEU 12 N 0.31 1.92 0.55 2.97 2.96 -0.04 -4.96 118.68 122.40 1jrh s LEU 12 Ca -0.14 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1jrh s LEU 12 Cb -0.16 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.79 1jrh s LEU 12 CO 0.06 -0.24 0.90 -0.54 -1.32 0.00 0.00 176.35 175.21 1jrh s LYS 13 N -1.04 3.49 0.83 1.98 1.02 -1.25 -1.25 119.74 123.51 1jrh s LYS 13 Ca -0.11 0.40 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 1jrh s LYS 13 Cb -0.07 -2.24 0.09 0.00 -0.52 0.00 0.00 37.83 35.10 1jrh s LYS 13 CO 0.00 -0.41 1.16 -2.14 -0.92 0.00 0.00 175.35 173.03 1jrh s PRO 14 N -4.95 1.62 0.00 -1.68 0.02 -1.26 -3.13 135.00 125.61 1jrh s PRO 14 Ca 0.51 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1jrh s PRO 14 Cb -0.11 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1jrh s PRO 14 CO 0.49 -2.19 0.00 0.43 -0.33 0.00 0.00 177.00 175.40 1jrh n SER 15 N -3.59 0.00 -2.73 2.53 7.64 0.56 -4.89 113.62 113.14 1jrh n SER 15 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1jrh n SER 15 Cb 0.52 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1jrh n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jrh n GLN 16 N -2.00 0.29 -4.69 1.43 6.02 -1.18 -4.06 117.38 113.19 1jrh n GLN 16 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1jrh n GLN 16 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 1jrh n GLN 16 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1jrh s THR 17 N -0.49 1.39 -0.19 5.09 2.01 -1.26 -1.69 115.64 120.49 1jrh s THR 17 Ca 0.00 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1jrh s THR 17 Cb 0.00 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1jrh s THR 17 CO 0.00 0.27 0.07 -0.22 -0.69 0.00 0.00 174.62 174.05 1jrh s LEU 18 N -0.73 3.77 -0.35 4.42 2.96 0.20 -4.92 118.68 124.03 1jrh s LEU 18 Ca 0.06 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1jrh s LEU 18 Cb -0.07 -1.96 0.06 0.00 0.50 0.00 0.00 46.19 44.71 1jrh s LEU 18 CO 0.00 0.14 0.12 -0.44 -1.32 0.00 0.00 176.35 174.85 1jrh s SER 19 N 0.59 5.27 -0.04 3.68 0.01 -1.26 -1.20 113.70 120.74 1jrh s SER 19 Ca 0.03 -1.33 0.01 0.00 1.31 0.00 0.00 55.95 55.98 1jrh s SER 19 Cb -0.13 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1jrh s SER 19 CO 0.01 -0.37 -0.04 -0.76 0.41 0.00 0.00 173.24 172.50 1jrh s LEU 20 N 1.34 3.33 -0.06 2.44 1.43 -0.33 -4.41 118.68 122.42 1jrh s LEU 20 Ca -0.01 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1jrh s LEU 20 Cb -0.20 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1jrh s LEU 20 CO 0.01 0.33 -0.14 -0.89 0.23 0.00 0.00 176.35 175.89 1jrh s THR 21 N -0.92 1.27 -0.33 5.49 2.01 -0.52 -1.88 115.64 120.76 1jrh s THR 21 Ca 0.15 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1jrh s THR 21 Cb -0.11 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.33 1jrh s THR 21 CO 0.05 0.38 0.05 0.00 -0.69 0.00 0.00 174.62 174.40 1jrh s SER 23 N 1.35 5.98 0.17 0.00 0.01 0.78 -1.05 113.70 120.94 1jrh s SER 23 Ca -0.01 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1jrh s SER 23 Cb -0.20 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1jrh s SER 23 CO -0.02 0.15 -0.03 0.72 0.41 0.00 0.00 173.24 174.47 1jrh s PHE 24 N 0.56 1.23 0.20 2.43 -0.12 -0.95 0.12 117.98 121.45 1jrh s PHE 24 Ca 0.06 -0.95 -0.10 0.00 -0.05 0.00 0.00 56.93 55.89 1jrh s PHE 24 Cb -0.12 -0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 41.57 1jrh s PHE 24 CO 0.00 -0.13 0.37 -1.54 -0.05 0.00 0.00 175.22 173.87 1jrh s SER 25 N -3.17 -0.03 0.00 1.98 1.04 -0.83 -4.86 113.70 107.83 1jrh s SER 25 Ca 0.22 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1jrh s SER 25 Cb 0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jrh s SER 25 CO 0.03 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1jrh n GLY 26 N -0.30 3.10 2.82 7.32 0.00 -1.24 -1.28 105.19 115.62 1jrh n GLY 26 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1jrh n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jrh n PHE 27 N -1.09 -1.44 -4.69 1.61 -1.74 -1.26 -4.63 117.46 104.22 1jrh n PHE 27 Ca 0.00 -1.85 -0.23 0.00 -0.56 0.00 0.00 57.45 54.81 1jrh n PHE 27 Cb 0.00 0.51 -0.15 0.00 1.52 0.00 0.00 39.48 41.36 1jrh n PHE 27 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1jrh s SER 28 N -2.76 1.77 0.00 5.98 0.15 -1.26 -5.00 113.70 112.58 1jrh s SER 28 Ca 0.22 -0.28 0.29 0.00 0.70 0.00 0.00 55.95 56.88 1jrh s SER 28 Cb -0.01 -0.29 1.47 0.00 -1.71 0.00 0.00 66.02 65.48 1jrh s SER 28 CO 0.16 0.16 1.98 -0.11 1.20 0.00 0.00 173.24 176.63 1jrh n LEU 29 N 2.87 0.67 0.13 3.45 0.00 -1.26 -3.08 117.00 119.78 1jrh n LEU 29 Ca -0.16 -0.23 0.07 0.00 0.00 0.00 0.00 56.01 55.70 1jrh n LEU 29 Cb 0.54 -0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.99 1jrh n LEU 29 CO 0.24 0.12 0.25 0.71 0.00 0.00 0.00 177.39 178.71 1jrh h THR 30 N 1.04 0.29 -3.14 1.96 1.35 -1.95 -3.37 112.91 109.09 1jrh h THR 30 Ca 0.00 -1.47 -0.53 0.00 -0.55 0.00 0.00 66.41 63.86 1jrh h THR 30 Cb 0.22 1.93 0.05 0.00 -1.73 0.00 0.00 68.15 68.63 1jrh h THR 30 CO 0.00 0.17 0.82 -0.89 -0.25 0.00 0.00 175.52 175.36 1jrh s THR 31 N -3.15 2.62 -0.20 6.82 2.01 -1.18 -4.90 115.64 117.67 1jrh s THR 31 Ca 0.02 0.48 -0.35 0.00 0.31 0.00 0.00 61.69 62.15 1jrh s THR 31 Cb 0.08 -3.31 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 1jrh s THR 31 CO 0.76 0.06 1.96 0.00 -0.69 0.00 0.00 174.62 176.70 1jrh n TYR 32 N 3.02 2.08 -0.08 4.92 9.36 -1.26 -1.95 117.16 133.24 1jrh n TYR 32 Ca 0.10 0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1jrh n TYR 32 Cb 0.39 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 1jrh n TYR 32 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jrh n GLY 33 N 5.00 0.59 3.84 2.98 0.00 -1.26 -5.07 105.19 111.26 1jrh n GLY 33 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1jrh n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jrh s MET 34 N -0.92 4.08 -0.02 1.61 -1.94 -0.82 -4.94 119.30 116.35 1jrh s MET 34 Ca 0.00 0.92 -0.28 0.00 -1.71 0.00 0.00 55.69 54.62 1jrh s MET 34 Cb 0.00 -2.25 0.09 0.00 2.01 0.00 0.00 34.83 34.69 1jrh s MET 34 CO 0.00 -0.04 0.80 0.20 -0.01 0.00 0.00 175.02 175.97 1jrh s GLY 35 N -2.48 -0.48 0.03 -0.03 0.00 -1.26 -1.16 107.32 101.93 1jrh s GLY 35 Ca 0.59 1.20 0.02 0.00 0.00 0.00 0.00 44.72 46.53 1jrh s GLY 35 CO 0.20 0.61 -0.07 0.14 0.00 0.00 0.00 173.10 173.98 1jrh s VAL 35 N -2.32 0.46 0.23 1.40 1.01 -0.60 -1.08 120.40 119.49 1jrh s VAL 35 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1jrh s VAL 35 Cb -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1jrh s VAL 35 CO -0.03 -0.24 0.15 -0.83 0.00 0.00 0.00 175.10 174.16 1jrh s GLY 35 N -1.12 1.62 0.14 4.51 0.00 -0.04 -0.17 107.32 112.25 1jrh s GLY 35 Ca -0.07 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 42.97 1jrh s GLY 35 CO 0.00 -1.43 -0.18 -0.98 0.00 0.00 0.00 173.10 170.51 1jrh s TRP 36 N -4.01 2.50 -0.11 1.90 0.52 0.56 -1.54 118.94 118.76 1jrh s TRP 36 Ca 0.39 -0.28 -0.09 0.00 0.02 0.00 0.00 56.10 56.14 1jrh s TRP 36 Cb 0.06 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1jrh s TRP 36 CO 0.15 0.41 0.29 0.42 0.02 0.00 0.00 176.95 178.24 1jrh s ILE 37 N -1.27 -0.01 0.30 2.03 1.09 0.08 -0.79 121.20 122.63 1jrh s ILE 37 Ca 0.19 0.02 0.10 0.00 -1.10 0.00 0.00 60.65 59.86 1jrh s ILE 37 Cb -0.10 -0.42 -0.06 0.00 -1.06 0.00 0.00 42.46 40.82 1jrh s ILE 37 CO 0.10 0.01 -0.14 0.00 -0.10 0.00 0.00 174.94 174.82 1jrh s ARG 38 N 0.36 1.70 -0.29 2.79 1.70 0.42 -0.31 118.95 125.32 1jrh s ARG 38 Ca -0.02 -1.83 -0.14 0.00 -0.47 0.00 0.00 55.73 53.27 1jrh s ARG 38 Cb -0.03 -1.64 0.11 0.00 -0.57 0.00 0.00 34.95 32.81 1jrh s ARG 38 CO -0.01 0.21 0.72 -1.14 -1.08 0.00 0.00 175.30 173.99 1jrh s GLN 39 N -3.58 0.62 0.50 3.89 0.74 -0.74 -0.57 119.66 120.52 1jrh s GLN 39 Ca 0.31 1.23 0.01 0.00 0.05 0.00 0.00 55.36 56.95 1jrh s GLN 39 Cb -0.01 0.39 0.02 0.00 1.10 0.00 0.00 33.01 34.51 1jrh s GLN 39 CO 0.15 -0.16 0.72 -1.12 -0.55 0.00 0.00 175.29 174.33 1jrh s SER 40 N 2.06 5.51 0.02 6.67 0.01 -1.26 -1.34 113.70 125.38 1jrh s SER 40 Ca -0.08 0.08 -0.35 0.00 1.31 0.00 0.00 55.95 56.91 1jrh s SER 40 Cb -0.07 -1.12 -0.14 0.00 0.21 0.00 0.00 66.02 64.90 1jrh s SER 40 CO -0.19 -0.95 1.66 -1.20 0.41 0.00 0.00 173.24 172.97 1jrh n SER 41 N -2.21 2.94 -2.11 2.44 7.64 -1.26 -1.86 113.62 119.20 1jrh n SER 41 Ca 0.05 1.05 -0.20 0.00 1.01 0.00 0.00 58.87 60.78 1jrh n SER 41 Cb 0.59 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1jrh n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrh n GLY 42 N 3.69 0.36 3.71 0.23 0.00 -1.26 -4.97 105.19 106.95 1jrh n GLY 42 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1jrh n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrh s LYS 43 N -4.57 2.11 0.00 1.61 -0.14 -0.77 -5.15 119.74 112.82 1jrh s LYS 43 Ca 0.00 -2.32 0.00 0.00 -1.36 0.00 0.00 55.97 52.29 1jrh s LYS 43 Cb 0.00 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.69 1jrh s LYS 43 CO 0.00 -0.30 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 1jrh n GLY 44 N -1.16 -0.11 3.84 -3.33 0.00 -1.26 -4.71 105.19 98.46 1jrh n GLY 44 Ca -0.15 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 1jrh n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jrh s LEU 45 N 0.00 4.39 -0.16 0.99 1.43 -1.26 -4.31 118.68 119.76 1jrh s LEU 45 Ca 0.00 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1jrh s LEU 45 Cb 0.00 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1jrh s LEU 45 CO 0.00 0.34 -0.14 -0.70 0.23 0.00 0.00 176.35 176.08 1jrh s GLU 46 N -0.78 2.28 0.05 1.70 2.12 0.26 -4.98 118.70 119.35 1jrh s GLU 46 Ca 0.17 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 1jrh s GLU 46 Cb -0.13 -2.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.04 1jrh s GLU 46 CO 0.06 -0.26 1.14 -0.46 -0.54 0.00 0.00 175.26 175.20 1jrh s TRP 47 N 1.47 3.50 0.00 5.30 -0.00 -1.26 -0.44 118.94 127.51 1jrh s TRP 47 Ca 0.04 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1jrh s TRP 47 Cb -0.13 -3.34 0.00 0.00 -0.00 0.00 0.00 33.47 30.00 1jrh s TRP 47 CO -0.10 -0.94 0.00 1.28 -0.00 0.00 0.00 176.95 177.18 1jrh n LEU 48 N 3.85 0.02 -4.08 5.86 4.32 0.02 -4.66 117.00 122.33 1jrh n LEU 48 Ca 0.08 0.05 -0.11 0.00 -0.02 0.00 0.00 56.01 56.01 1jrh n LEU 48 Cb 0.47 -0.47 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1jrh n LEU 48 CO 0.55 -0.47 0.04 0.00 -1.22 0.00 0.00 177.39 176.29 1jrh s ALA 49 N -3.13 0.43 -0.07 -1.18 0.00 -1.23 0.16 121.76 116.73 1jrh s ALA 49 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1jrh s ALA 49 Cb 0.00 1.19 0.03 0.00 0.00 0.00 0.00 23.12 24.35 1jrh s ALA 49 CO 0.00 -0.76 0.38 -1.58 0.00 0.00 0.00 175.76 173.80 1jrh s HIS 50 N -3.85 -0.33 -0.01 0.00 2.46 0.43 -0.32 115.29 113.67 1jrh s HIS 50 Ca 0.29 0.69 0.04 0.00 0.47 0.00 0.00 55.06 56.55 1jrh s HIS 50 Cb 0.02 0.15 -0.01 0.00 -0.13 0.00 0.00 32.58 32.61 1jrh s HIS 50 CO 0.13 -0.34 -0.12 -1.50 -2.47 0.00 0.00 174.74 170.44 1jrh s ILE 51 N -0.67 0.99 0.36 0.89 2.07 0.76 -0.58 121.20 125.01 1jrh s ILE 51 Ca -0.08 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.69 1jrh s ILE 51 Cb -0.04 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 1jrh s ILE 51 CO 0.03 0.28 0.50 0.26 -1.91 0.00 0.00 174.94 174.11 1jrh s TRP 52 N -0.24 3.11 0.56 3.50 0.52 -0.14 -1.56 118.94 124.70 1jrh s TRP 52 Ca 0.04 -0.17 0.26 0.00 0.02 0.00 0.00 56.10 56.25 1jrh s TRP 52 Cb -0.05 -2.06 1.55 0.00 -1.15 0.00 0.00 33.47 31.75 1jrh s TRP 52 CO -0.00 -0.08 2.11 0.11 0.02 0.00 0.00 176.95 179.10 1jrh h TRP 53 N 0.81 0.00 -0.54 -1.98 0.09 -1.30 -1.25 115.95 111.77 1jrh h TRP 53 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.52 1jrh h TRP 53 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.50 1jrh h TRP 53 CO 0.43 0.00 0.00 -0.40 0.09 0.00 0.00 178.44 178.56 1jrh n ASP 54 N -4.07 3.03 -0.68 0.11 5.75 -1.26 -4.79 116.55 114.64 1jrh n ASP 54 Ca 0.02 -2.04 -0.09 0.00 -0.01 0.00 0.00 54.79 52.67 1jrh n ASP 54 Cb 0.30 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 1jrh n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1jrh n ASP 55 N 1.07 -4.14 -4.74 -1.12 2.03 -0.47 -4.99 116.55 104.19 1jrh n ASP 55 Ca 0.18 0.22 -0.41 0.00 0.52 0.00 0.00 54.79 55.31 1jrh n ASP 55 Cb 0.49 -2.42 -0.05 0.00 -0.72 0.00 0.00 41.12 38.42 1jrh n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jrh s ASP 56 N -2.86 7.51 0.07 1.67 -1.08 -1.26 -4.87 116.67 115.86 1jrh s ASP 56 Ca 0.00 1.87 0.09 0.00 -0.52 0.00 0.00 52.55 53.99 1jrh s ASP 56 Cb 0.00 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 1jrh s ASP 56 CO 0.00 -0.03 -0.24 -0.54 0.52 0.00 0.00 175.17 174.89 1jrh s LYS 57 N -0.34 1.46 -0.04 4.34 1.02 -1.26 -0.97 119.74 123.94 1jrh s LYS 57 Ca 0.46 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.37 1jrh s LYS 57 Cb -0.25 -1.70 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1jrh s LYS 57 CO 0.31 0.42 -0.16 0.71 -0.92 0.00 0.00 175.35 175.71 1jrh s TYR 58 N -0.92 1.63 0.12 3.18 1.51 0.25 -5.00 117.35 118.12 1jrh s TYR 58 Ca 0.10 -0.48 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1jrh s TYR 58 Cb -0.10 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1jrh s TYR 58 CO 0.03 -0.18 -0.17 0.71 -1.11 0.00 0.00 175.55 174.83 1jrh s TYR 59 N 0.12 1.61 -0.18 2.71 2.02 -1.26 -0.43 117.35 121.93 1jrh s TYR 59 Ca -0.05 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 55.88 1jrh s TYR 59 Cb -0.12 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 1jrh s TYR 59 CO 0.02 0.20 1.24 1.21 -1.57 0.00 0.00 175.55 176.65 1jrh s ASN 60 N -2.23 6.95 0.24 2.29 3.84 0.12 -4.88 114.94 121.27 1jrh s ASN 60 Ca 0.08 1.61 -0.10 0.00 0.21 0.00 0.00 52.86 54.67 1jrh s ASN 60 Cb -0.07 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.46 1jrh s ASN 60 CO 0.04 -0.77 1.61 -0.65 -2.79 0.00 0.00 177.10 174.54 1jrh h PRO 61 N 8.18 0.02 -1.06 0.43 0.11 -1.95 0.12 132.00 137.86 1jrh h PRO 61 Ca -0.25 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.16 1jrh h PRO 61 Cb 1.10 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1jrh h PRO 61 CO 0.98 0.02 0.76 0.77 -0.21 0.00 0.00 178.00 180.31 1jrh h SER 62 N 0.02 0.05 -0.00 -2.05 0.02 -1.98 -2.80 113.55 106.82 1jrh h SER 62 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1jrh h SER 62 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1jrh h SER 62 CO -0.77 0.01 -0.03 0.18 -1.14 0.00 0.00 176.83 175.07 1jrh n LEU 63 N -4.26 0.52 -0.26 5.07 7.99 -0.25 -4.85 117.00 120.97 1jrh n LEU 63 Ca 0.23 -0.72 -0.05 0.00 -0.01 0.00 0.00 56.01 55.47 1jrh n LEU 63 Cb 1.10 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 44.38 1jrh n LEU 63 CO 0.38 0.12 0.33 1.17 -1.51 0.00 0.00 177.39 177.88 1jrh n LYS 64 N -0.55 -0.23 0.23 3.23 4.81 0.27 0.10 118.16 126.02 1jrh n LYS 64 Ca 0.01 0.96 0.09 0.00 -0.87 0.00 0.00 58.31 58.50 1jrh n LYS 64 Cb 0.03 -1.41 0.51 0.00 0.02 0.00 0.00 35.03 34.17 1jrh n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1jrh h SER 65 N 0.00 0.00 0.00 3.14 4.64 -1.88 -1.29 113.55 118.16 1jrh h SER 65 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jrh h SER 65 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1jrh h SER 65 CO -0.60 0.00 -0.57 0.54 -0.87 0.00 0.00 176.83 175.33 1jrh n ARG 66 N -2.37 3.48 -4.08 4.77 1.74 0.12 -4.98 116.66 115.34 1jrh n ARG 66 Ca -0.01 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 1jrh n ARG 66 Cb 0.37 -0.97 -0.07 0.00 -1.02 0.00 0.00 32.46 30.77 1jrh n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jrh s LEU 67 N -2.60 3.96 -0.07 0.55 1.43 -0.49 -2.34 118.68 119.13 1jrh s LEU 67 Ca 0.03 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1jrh s LEU 67 Cb 0.07 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1jrh s LEU 67 CO 0.38 0.28 0.14 -0.89 0.23 0.00 0.00 176.35 176.49 1jrh s THR 68 N -1.19 -0.18 -0.06 5.49 2.01 -0.82 -4.92 115.64 115.97 1jrh s THR 68 Ca 0.23 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.58 1jrh s THR 68 Cb -0.12 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1jrh s THR 68 CO 0.14 0.13 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.51 1jrh s ILE 69 N 1.94 2.75 0.22 1.82 2.07 -1.26 -0.73 121.20 128.00 1jrh s ILE 69 Ca -0.00 -0.83 -0.04 0.00 -1.41 0.00 0.00 60.65 58.37 1jrh s ILE 69 Cb -0.12 -2.06 -0.03 0.00 0.13 0.00 0.00 42.46 40.38 1jrh s ILE 69 CO -0.05 0.57 0.24 -0.94 -1.91 0.00 0.00 174.94 172.85 1jrh s SER 70 N -0.43 0.14 0.02 4.50 1.04 -0.68 -5.00 113.70 113.29 1jrh s SER 70 Ca 0.05 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 55.19 1jrh s SER 70 Cb -0.12 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1jrh s SER 70 CO 0.02 -0.94 -0.01 -1.59 0.98 0.00 0.00 173.24 171.70 1jrh s LYS 71 N -4.08 0.33 -0.34 4.02 -2.85 -1.26 -0.31 119.74 115.25 1jrh s LYS 71 Ca 0.34 -0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 54.73 1jrh s LYS 71 Cb 0.05 0.12 0.12 0.00 -2.06 0.00 0.00 37.83 36.06 1jrh s LYS 71 CO 0.12 -0.06 0.17 0.34 0.10 0.00 0.00 175.35 176.02 1jrh s ASP 72 N -1.44 3.46 0.51 0.03 -1.08 -0.02 -4.99 116.67 113.14 1jrh s ASP 72 Ca -0.16 -1.86 0.18 0.00 -0.52 0.00 0.00 52.55 50.19 1jrh s ASP 72 Cb -0.10 -0.57 1.26 0.00 -1.46 0.00 0.00 42.92 42.06 1jrh s ASP 72 CO -0.01 -0.37 2.09 0.74 0.52 0.00 0.00 175.17 178.15 1jrh h THR 73 N 5.78 0.92 0.00 1.71 2.02 -1.97 0.15 112.91 121.53 1jrh h THR 73 Ca -0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jrh h THR 73 Cb 0.99 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1jrh h THR 73 CO 0.39 0.01 0.00 -1.54 0.37 0.00 0.00 175.52 174.75 1jrh n SER 74 N -4.48 0.00 0.00 4.18 3.41 -1.26 -2.89 113.62 112.57 1jrh n SER 74 Ca 0.02 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1jrh n SER 74 Cb 0.26 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1jrh n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jrh n ARG 75 N -1.03 1.93 -3.52 4.33 1.74 -0.55 -5.05 116.66 114.51 1jrh n ARG 75 Ca 0.17 -0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 1jrh n ARG 75 Cb 0.09 -0.21 0.07 0.00 -1.02 0.00 0.00 32.46 31.39 1jrh n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jrh n ASN 76 N -0.28 -1.85 -3.97 0.55 3.02 0.42 -4.90 115.26 108.25 1jrh n ASN 76 Ca 0.00 -0.68 -0.11 0.00 -0.03 0.00 0.00 54.58 53.76 1jrh n ASN 76 Cb 0.02 -4.80 -0.12 0.00 -0.61 0.00 0.00 39.78 34.27 1jrh n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jrh s GLN 77 N -5.56 0.30 0.00 3.52 -0.21 -1.14 -2.24 119.66 114.33 1jrh s GLN 77 Ca 0.01 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 54.96 1jrh s GLN 77 Cb -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.95 1jrh s GLN 77 CO 0.75 -0.01 -0.17 0.08 -2.12 0.00 0.00 175.29 173.83 1jrh s VAL 78 N -1.07 2.87 0.12 1.09 1.01 -0.22 -0.84 120.40 123.36 1jrh s VAL 78 Ca -0.11 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1jrh s VAL 78 Cb -0.08 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1jrh s VAL 78 CO -0.00 0.45 -0.20 -0.36 0.00 0.00 0.00 175.10 174.99 1jrh s PHE 79 N -0.83 1.78 -0.02 5.22 0.08 0.58 -0.59 117.98 124.19 1jrh s PHE 79 Ca 0.13 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1jrh s PHE 79 Cb -0.11 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 1jrh s PHE 79 CO 0.03 0.24 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.17 1jrh s LEU 80 N -2.14 1.67 -0.11 -0.37 2.96 -0.79 -1.69 118.68 118.21 1jrh s LEU 80 Ca 0.09 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1jrh s LEU 80 Cb -0.09 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.22 1jrh s LEU 80 CO 0.05 0.01 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.12 1jrh s LYS 81 N 0.37 2.93 -0.23 1.98 2.20 0.09 -1.19 119.74 125.89 1jrh s LYS 81 Ca -0.05 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1jrh s LYS 81 Cb -0.09 -2.26 0.06 0.00 -1.51 0.00 0.00 37.83 34.03 1jrh s LYS 81 CO -0.00 0.11 -0.06 0.42 -0.36 0.00 0.00 175.35 175.47 1jrh s ILE 82 N 0.50 1.55 0.88 5.43 1.01 -0.34 -1.94 121.20 128.29 1jrh s ILE 82 Ca -0.15 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1jrh s ILE 82 Cb -0.17 -1.80 0.17 0.00 0.01 0.00 0.00 42.46 40.67 1jrh s ILE 82 CO 0.06 -0.09 1.21 0.42 0.00 0.00 0.00 174.94 176.53 1jrh s THR 82 N 1.39 2.05 -1.63 2.92 -4.23 -0.99 0.60 115.64 115.75 1jrh s THR 82 Ca -0.06 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.17 1jrh s THR 82 Cb -0.19 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 70.89 1jrh s THR 82 CO -0.06 0.00 0.19 -1.20 -0.54 0.00 0.00 174.62 173.01 1jrh n SER 82 N -3.44 0.05 -4.65 3.99 7.64 -0.75 -4.78 113.62 111.68 1jrh n SER 82 Ca 0.15 -1.25 -0.50 0.00 1.01 0.00 0.00 58.87 58.28 1jrh n SER 82 Cb 0.60 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.18 1jrh n SER 82 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1jrh n VAL 82 N -4.35 0.15 -4.20 0.44 0.31 -0.68 -4.62 118.33 105.38 1jrh n VAL 82 Ca -0.18 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 63.88 1jrh n VAL 82 Cb 0.61 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 32.16 1jrh n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jrh s ALA 83 N 1.72 3.41 0.30 3.52 0.00 -1.26 -0.32 121.76 129.13 1jrh s ALA 83 Ca 0.86 -1.97 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1jrh s ALA 83 Cb -0.84 -0.48 0.49 0.00 0.00 0.00 0.00 23.12 22.29 1jrh s ALA 83 CO 0.48 -0.02 1.81 1.79 0.00 0.00 0.00 175.76 179.82 1jrh h THR 84 N 1.61 1.23 -0.65 0.00 1.35 -1.95 -2.57 112.91 111.92 1jrh h THR 84 Ca -0.43 -0.96 0.16 0.00 -0.55 0.00 0.00 66.41 64.63 1jrh h THR 84 Cb 1.25 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 1jrh h THR 84 CO 0.67 0.32 0.45 0.00 -0.25 0.00 0.00 175.52 176.71 1jrh h ALA 85 N 1.39 2.35 0.00 6.62 0.00 -1.97 -0.81 119.26 126.85 1jrh h ALA 85 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jrh h ALA 85 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jrh h ALA 85 CO 0.02 -0.53 0.00 -0.25 0.00 0.00 0.00 179.25 178.49 1jrh n ASP 86 N -4.42 0.00 -4.67 0.00 9.92 -0.97 -4.75 116.55 111.67 1jrh n ASP 86 Ca 0.12 0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 54.26 1jrh n ASP 86 Cb 0.59 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1jrh n ASP 86 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1jrh s THR 87 N -2.78 3.13 0.03 -3.53 2.01 -0.31 -4.86 115.64 109.32 1jrh s THR 87 Ca 0.09 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 1jrh s THR 87 Cb 0.08 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1jrh s THR 87 CO 0.21 -0.02 0.31 0.00 -0.69 0.00 0.00 174.62 174.43 1jrh n ALA 88 N 6.88 -0.83 -2.95 7.40 0.00 -0.57 -4.63 120.51 125.80 1jrh n ALA 88 Ca 0.18 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1jrh n ALA 88 Cb 0.41 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1jrh n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jrh s THR 89 N -2.31 3.76 -0.15 0.00 2.01 -0.45 -0.30 115.64 118.20 1jrh s THR 89 Ca 0.07 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1jrh s THR 89 Cb -0.01 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1jrh s THR 89 CO 0.01 0.50 0.05 -0.31 -0.69 0.00 0.00 174.62 174.18 1jrh s TYR 90 N 0.29 3.25 0.13 4.92 1.51 0.36 -1.79 117.35 126.03 1jrh s TYR 90 Ca -0.04 0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.21 1jrh s TYR 90 Cb -0.14 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1jrh s TYR 90 CO 0.03 0.26 -0.22 0.71 -1.11 0.00 0.00 175.55 175.23 1jrh s TYR 91 N -0.04 1.94 -0.00 2.71 2.02 0.58 -1.43 117.35 123.13 1jrh s TYR 91 Ca 0.06 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1jrh s TYR 91 Cb -0.12 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1jrh s TYR 91 CO 0.01 0.30 -0.12 0.00 -1.57 0.00 0.00 175.55 174.16 1jrh s ALA 93 N -0.37 -0.76 0.53 0.00 0.00 -0.59 -2.27 121.76 118.29 1jrh s ALA 93 Ca 0.04 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 1jrh s ALA 93 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1jrh s ALA 93 CO -0.00 -0.23 0.80 -0.98 0.00 0.00 0.00 175.76 175.35 1jrh s ARG 94 N -0.89 2.98 -0.02 0.00 1.70 -0.99 -0.86 118.95 120.87 1jrh s ARG 94 Ca -0.10 -0.23 -0.26 0.00 -0.47 0.00 0.00 55.73 54.67 1jrh s ARG 94 Cb -0.04 -2.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.90 1jrh s ARG 94 CO 0.03 -0.51 0.83 0.50 -1.08 0.00 0.00 175.30 175.07 1jrh s ARG 95 N -4.79 4.51 0.04 3.89 3.00 -0.24 -3.16 118.95 122.18 1jrh s ARG 95 Ca 0.51 1.14 -0.34 0.00 -1.00 0.00 0.00 55.73 56.04 1jrh s ARG 95 Cb -0.10 -3.44 -0.13 0.00 0.00 0.00 0.00 34.95 31.28 1jrh s ARG 95 CO 0.42 0.06 1.70 0.00 0.00 0.00 0.00 175.30 177.48 1jrh n ALA 96 N 3.62 1.00 0.04 6.12 0.00 0.32 -4.73 120.51 126.88 1jrh n ALA 96 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1jrh n ALA 96 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1jrh n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jrh n PRO 97 N 4.80 0.28 -5.17 0.00 -0.04 -1.26 -4.65 135.00 128.96 1jrh n PRO 97 Ca 0.20 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.36 1jrh n PRO 97 Cb 0.28 -1.36 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 1jrh n PRO 97 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jrh s PHE 98 N 1.13 2.17 0.52 0.54 0.40 -1.26 -5.10 117.98 116.38 1jrh s PHE 98 Ca 0.00 -0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 55.62 1jrh s PHE 98 Cb 0.00 -1.41 -0.08 0.00 0.51 0.00 0.00 43.02 42.05 1jrh s PHE 98 CO 0.00 -0.10 0.97 0.98 0.70 0.00 0.00 175.22 177.77 1jrh n TYR 99 N 2.69 0.92 -0.58 0.36 4.19 -1.26 -1.31 117.16 122.17 1jrh n TYR 99 Ca -0.16 0.48 0.00 0.00 3.31 0.00 0.00 57.90 61.53 1jrh n TYR 99 Cb 0.52 -2.17 0.00 0.00 0.49 0.00 0.00 39.34 38.18 1jrh n TYR 99 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1jrh n GLY 100 N 1.26 0.35 3.38 2.98 0.00 -1.26 -4.94 105.19 106.96 1jrh n GLY 100 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1jrh n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jrh s ASN 100 N -2.32 4.06 -0.01 1.61 3.84 -0.43 -4.98 114.94 116.71 1jrh s ASN 100 Ca 0.00 -0.31 0.19 0.00 0.21 0.00 0.00 52.86 52.95 1jrh s ASN 100 Cb 0.00 -1.58 0.33 0.00 -0.55 0.00 0.00 41.25 39.44 1jrh s ASN 100 CO 0.00 0.18 1.13 1.41 -2.79 0.00 0.00 177.10 177.03 1jrh n HIS 100 N 3.45 0.00 -2.51 0.43 8.25 -1.26 -4.55 115.22 119.03 1jrh n HIS 100 Ca -0.18 -0.45 -0.32 0.00 -0.26 0.00 0.00 57.72 56.50 1jrh n HIS 100 Cb 0.53 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1jrh n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jrh s ALA 100 N -0.25 3.03 -0.62 -1.41 0.00 -1.26 -4.76 121.76 116.50 1jrh s ALA 100 Ca 0.26 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1jrh s ALA 100 Cb 0.29 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 20.38 1jrh s ALA 100 CO -0.12 -0.16 0.75 -1.64 0.00 0.00 0.00 175.76 174.59 1jrh s MET 100 N -3.77 3.09 -0.06 0.00 -1.94 -1.26 -0.52 119.30 114.83 1jrh s MET 100 Ca 0.60 -1.31 -0.26 0.00 -1.71 0.00 0.00 55.69 53.01 1jrh s MET 100 Cb -0.10 -4.29 -0.22 0.00 2.01 0.00 0.00 34.83 32.22 1jrh s MET 100 CO 0.26 -1.58 1.07 0.38 -0.01 0.00 0.00 175.02 175.13 1jrh h ASP 101 N 9.19 0.05 -3.32 3.03 2.03 -1.86 -3.45 116.42 122.08 1jrh h ASP 101 Ca -0.27 -0.70 -0.64 0.00 -0.73 0.00 0.00 57.03 54.69 1jrh h ASP 101 Cb 1.08 -0.01 -0.20 0.00 -0.83 0.00 0.00 39.33 39.37 1jrh h ASP 101 CO 1.10 0.74 -0.65 -0.31 -1.03 0.00 0.00 179.24 179.10 1jrh s TYR 102 N -3.41 3.07 0.18 4.15 1.51 -1.26 -5.02 117.35 116.56 1jrh s TYR 102 Ca -0.17 -0.18 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1jrh s TYR 102 Cb 0.00 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1jrh s TYR 102 CO 0.69 0.06 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.38 1jrh s TRP 103 N 0.17 2.22 0.69 2.71 0.52 -1.26 -2.36 118.94 121.62 1jrh s TRP 103 Ca -0.01 -0.38 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 1jrh s TRP 103 Cb -0.13 -1.11 0.07 0.00 -1.15 0.00 0.00 33.47 31.15 1jrh s TRP 103 CO 0.02 0.46 0.98 0.20 0.02 0.00 0.00 176.95 178.63 1jrh s GLY 104 N -2.61 1.73 0.40 0.98 0.00 -0.96 -4.62 107.32 102.25 1jrh s GLY 104 Ca 0.19 -1.12 0.18 0.00 0.00 0.00 0.00 44.72 43.97 1jrh s GLY 104 CO 0.09 -0.70 1.83 0.06 0.00 0.00 0.00 173.10 174.38 1jrh h GLN 105 N -0.51 0.00 0.00 2.90 3.07 -1.92 -3.45 115.11 115.20 1jrh h GLN 105 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1jrh h GLN 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1jrh h GLN 105 CO 0.55 0.33 0.00 0.41 0.09 0.00 0.00 178.83 180.21 1jrh n GLY 106 N -0.23 1.44 2.95 0.06 0.00 -1.26 -5.00 105.19 103.15 1jrh n GLY 106 Ca -0.01 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1jrh n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jrh s THR 107 N -2.80 0.91 -0.15 2.61 -1.32 -0.52 -4.85 115.64 109.53 1jrh s THR 107 Ca 0.00 -0.31 -0.20 0.00 -1.21 0.00 0.00 61.69 59.97 1jrh s THR 107 Cb 0.00 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1jrh s THR 107 CO 0.00 0.32 0.57 0.42 -2.21 0.00 0.00 174.62 173.72 1jrh s THR 108 N 1.00 5.10 -0.09 5.08 -4.23 -1.26 -0.49 115.64 120.75 1jrh s THR 108 Ca -0.09 1.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1jrh s THR 108 Cb -0.15 -3.90 -0.00 0.00 1.34 0.00 0.00 72.50 69.79 1jrh s THR 108 CO -0.00 0.22 -0.23 0.68 -0.54 0.00 0.00 174.62 174.75 1jrh s VAL 109 N 1.21 2.19 -0.17 2.29 -7.23 0.59 -4.45 120.40 114.83 1jrh s VAL 109 Ca 0.29 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1jrh s VAL 109 Cb -0.16 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1jrh s VAL 109 CO 0.12 0.56 0.01 -0.89 -0.31 0.00 0.00 175.10 174.59 1jrh s THR 110 N 0.20 4.31 -0.45 5.32 2.01 -0.46 -1.51 115.64 125.07 1jrh s THR 110 Ca -0.14 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1jrh s THR 110 Cb -0.17 -2.92 0.08 0.00 0.01 0.00 0.00 72.50 69.50 1jrh s THR 110 CO 0.07 0.47 0.33 -0.69 -0.69 0.00 0.00 174.62 174.11 1jrh s VAL 111 N 0.47 4.70 0.07 3.82 1.01 -1.26 -0.86 120.40 128.34 1jrh s VAL 111 Ca -0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 1jrh s VAL 111 Cb -0.13 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1jrh s VAL 111 CO 0.02 -0.56 0.58 -0.55 0.00 0.00 0.00 175.10 174.58 1jrh s SER 112 N 2.41 -0.53 -0.81 3.32 0.15 -0.38 -4.55 113.70 113.31 1jrh s SER 112 Ca 0.04 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1jrh s SER 112 Cb -0.24 0.54 0.20 0.00 -1.71 0.00 0.00 66.02 64.81 1jrh s SER 112 CO 0.04 -0.79 0.67 -0.94 1.20 0.00 0.00 173.24 173.42 1jrh s SER 113 N -2.12 5.69 0.00 5.45 1.04 -1.26 -3.93 113.70 118.58 1jrh s SER 113 Ca -0.04 -3.55 0.00 0.00 0.48 0.00 0.00 55.95 52.84 1jrh s SER 113 Cb -0.00 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1jrh s SER 113 CO -0.04 -0.21 0.00 0.00 0.98 0.00 0.00 173.24 173.97 1jrh n ALA 114 N 2.54 0.00 -3.62 5.32 0.00 -1.26 -5.10 120.51 118.39 1jrh n ALA 114 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1jrh n ALA 114 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1jrh n ALA 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jrh s LYS 115 N 2.88 0.43 -0.29 0.00 -2.85 -1.26 -5.08 119.74 113.57 1jrh s LYS 115 Ca 0.00 0.36 -0.13 0.00 -1.00 0.00 0.00 55.97 55.20 1jrh s LYS 115 Cb 0.00 0.21 -0.14 0.00 -2.06 0.00 0.00 37.83 35.84 1jrh s LYS 115 CO 0.00 -0.08 1.30 2.41 0.10 0.00 0.00 175.35 179.07 1jrh n THR 116 N 1.62 0.00 -2.91 3.79 -1.04 -1.26 -4.65 114.28 109.84 1jrh n THR 116 Ca -0.11 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 1jrh n THR 116 Cb 0.57 -0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 1jrh n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jrh s THR 117 N 6.69 4.84 1.26 12.58 2.01 -0.87 -4.79 115.64 137.36 1jrh s THR 117 Ca 0.35 1.53 -0.17 0.00 0.31 0.00 0.00 61.69 63.72 1jrh s THR 117 Cb 0.02 -4.11 0.31 0.00 0.01 0.00 0.00 72.50 68.74 1jrh s THR 117 CO 0.12 -0.07 1.00 -2.84 -0.69 0.00 0.00 174.62 172.13 1jrh s PRO 118 N 2.82 -1.70 0.00 4.92 0.02 -1.26 -1.26 135.00 138.55 1jrh s PRO 118 Ca 0.34 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1jrh s PRO 118 Cb -0.15 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.88 1jrh s PRO 118 CO 0.07 -4.15 0.00 0.00 -0.33 0.00 0.00 177.00 172.60 1jrh s LEU 143 N 0.00 1.83 0.00 0.00 2.96 -1.26 -2.69 118.68 119.52 1jrh s LEU 143 Ca 0.00 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1jrh s LEU 143 Cb 0.00 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.09 1jrh s LEU 143 CO 0.00 0.08 0.03 0.52 -1.32 0.00 0.00 176.35 175.66 1jrh n VAL 144 N 3.22 0.00 0.00 1.68 0.31 -0.97 -5.04 118.33 117.53 1jrh n VAL 144 Ca -0.18 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.47 1jrh n VAL 144 Cb 0.54 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1jrh n VAL 144 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jrh n TYR 147 N -0.50 0.00 -3.64 3.52 0.18 0.18 -2.11 117.16 114.80 1jrh n TYR 147 Ca -0.05 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.68 1jrh n TYR 147 Cb 0.19 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.08 1jrh n TYR 147 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1jrh s PHE 148 N -2.04 -0.22 0.62 -3.48 2.19 -0.39 0.86 117.98 115.52 1jrh s PHE 148 Ca 0.00 0.51 0.05 0.00 0.33 0.00 0.00 56.93 57.82 1jrh s PHE 148 Cb 0.00 0.44 0.10 0.00 -1.31 0.00 0.00 43.02 42.25 1jrh s PHE 148 CO 0.00 -0.13 0.86 -1.25 1.83 0.00 0.00 175.22 176.53 1jrh s PRO 149 N -0.20 2.08 0.56 10.12 0.05 -1.26 -2.06 135.00 144.29 1jrh s PRO 149 Ca 0.05 -1.41 -0.17 0.00 0.05 0.00 0.00 61.00 59.52 1jrh s PRO 149 Cb -0.04 -2.53 -0.05 0.00 0.05 0.00 0.00 34.50 31.93 1jrh s PRO 149 CO -0.09 -1.07 1.05 -2.00 0.05 0.00 0.00 177.00 174.95 1jrh s GLU 150 N -4.84 3.47 0.00 4.56 2.12 -1.26 -4.72 118.70 118.03 1jrh s GLU 150 Ca 0.63 1.27 0.00 0.00 0.36 0.00 0.00 54.97 57.23 1jrh s GLU 150 Cb -0.06 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1jrh s GLU 150 CO 0.41 -0.70 0.00 -0.35 -0.54 0.00 0.00 175.26 174.08 1jrh n PRO 151 N -1.68 1.26 -3.51 4.30 -0.04 -1.26 -5.05 135.00 129.03 1jrh n PRO 151 Ca 0.09 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1jrh n PRO 151 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1jrh n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jrh s VAL 152 N 0.28 0.00 -0.18 0.52 0.11 -1.26 -4.78 120.40 115.09 1jrh s VAL 152 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1jrh s VAL 152 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1jrh s VAL 152 CO 0.00 0.00 0.12 -0.89 -3.33 0.00 0.00 175.10 171.00 1jrh s THR 153 N -2.90 -0.14 -0.39 5.04 2.01 -1.20 -4.98 115.64 113.08 1jrh s THR 153 Ca 0.04 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 1jrh s THR 153 Cb -0.01 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1jrh s THR 153 CO -0.08 -0.28 0.28 -0.69 -0.69 0.00 0.00 174.62 173.16 1jrh s VAL 154 N 2.18 5.24 0.46 3.82 1.01 -1.26 -1.88 120.40 129.97 1jrh s VAL 154 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1jrh s VAL 154 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1jrh s VAL 154 CO -0.11 -0.23 0.35 0.42 0.00 0.00 0.00 175.10 175.53 1jrh s THR 156 N 1.69 2.24 -0.08 3.92 -4.23 0.32 -4.94 115.64 114.56 1jrh s THR 156 Ca 0.05 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1jrh s THR 156 Cb -0.19 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 70.98 1jrh s THR 156 CO 0.10 0.00 -0.02 0.26 -0.54 0.00 0.00 174.62 174.42 1jrh s TRP 157 N -2.60 0.88 -1.31 3.99 0.52 -1.26 -0.46 118.94 118.69 1jrh s TRP 157 Ca 0.42 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 56.09 1jrh s TRP 157 Cb -0.01 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.40 1jrh s TRP 157 CO 0.25 -0.38 0.51 -1.71 0.02 0.00 0.00 176.95 175.64 1jrh n ASN 161 N 5.09 -2.32 -1.86 2.95 5.15 -1.26 -0.62 115.26 122.39 1jrh n ASN 161 Ca -0.09 -1.13 -0.10 0.00 -0.60 0.00 0.00 54.58 52.67 1jrh n ASN 161 Cb 0.50 -2.56 -0.02 0.00 -0.53 0.00 0.00 39.78 37.17 1jrh n ASN 161 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1jrh n SER 162 N -2.69 -2.98 0.00 1.20 7.64 -1.26 -5.09 113.62 110.43 1jrh n SER 162 Ca -0.21 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1jrh n SER 162 Cb 0.63 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.11 1jrh n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrh n GLY 163 N -0.46 3.59 2.06 0.23 0.00 0.21 -5.12 105.19 105.70 1jrh n GLY 163 Ca -0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1jrh n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jrh n SER 166 N 0.00 -1.27 -4.68 1.61 7.64 -1.26 -4.98 113.62 110.67 1jrh n SER 166 Ca 0.00 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.14 1jrh n SER 166 Cb 0.00 1.35 0.15 0.00 -1.01 0.00 0.00 64.21 64.70 1jrh n SER 166 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jrh s SER 167 N -4.00 3.18 -1.09 6.43 1.04 -1.26 -3.82 113.70 114.17 1jrh s SER 167 Ca 0.00 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1jrh s SER 167 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1jrh s SER 167 CO 0.00 -2.89 0.00 0.61 0.98 0.00 0.00 173.24 171.94 1jrh n GLY 168 N -0.29 1.00 3.66 7.32 0.00 -1.26 -4.79 105.19 110.82 1jrh n GLY 168 Ca 0.09 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1jrh n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jrh s VAL 171 N -1.91 5.29 -0.68 1.61 1.01 -1.25 -2.62 120.40 121.84 1jrh s VAL 171 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1jrh s VAL 171 Cb 0.00 -3.60 0.17 0.00 0.00 0.00 0.00 36.38 32.95 1jrh s VAL 171 CO 0.00 0.30 0.49 1.41 0.00 0.00 0.00 175.10 177.29 1jrh n HIS 172 N 4.44 2.81 -2.58 5.22 8.25 0.16 -4.97 115.22 128.55 1jrh n HIS 172 Ca -0.12 -4.20 -0.43 0.00 -0.26 0.00 0.00 57.72 52.71 1jrh n HIS 172 Cb 0.52 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1jrh n HIS 172 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jrh s THR 173 N -1.34 4.19 0.73 1.59 2.01 -1.26 -2.10 115.64 119.46 1jrh s THR 173 Ca 0.26 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 63.36 1jrh s THR 173 Cb -0.03 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.95 1jrh s THR 173 CO -0.17 -0.97 1.10 -0.36 -0.69 0.00 0.00 174.62 173.53 1jrh s PHE 174 N 4.52 3.21 0.21 4.92 0.40 0.18 -4.98 117.98 126.44 1jrh s PHE 174 Ca 0.49 1.06 -0.30 0.00 -0.60 0.00 0.00 56.93 57.58 1jrh s PHE 174 Cb -0.08 -3.10 -0.08 0.00 0.51 0.00 0.00 43.02 40.27 1jrh s PHE 174 CO 0.31 -1.32 1.00 -1.25 0.70 0.00 0.00 175.22 174.66 1jrh s PRO 175 N -5.33 4.74 0.59 0.24 0.04 -1.26 -4.47 135.00 129.55 1jrh s PRO 175 Ca 0.59 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1jrh s PRO 175 Cb -0.12 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1jrh s PRO 175 CO 0.52 0.32 1.20 0.00 0.04 0.00 0.00 177.00 179.08 1jrh s ALA 176 N -0.74 2.56 0.04 8.56 0.00 -1.26 -4.80 121.76 126.11 1jrh s ALA 176 Ca 0.44 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1jrh s ALA 176 Cb -0.27 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1jrh s ALA 176 CO 0.33 -1.11 -0.10 0.08 0.00 0.00 0.00 175.76 174.96 1jrh s VAL 177 N -1.63 0.76 -0.22 0.00 1.01 -1.07 -4.96 120.40 114.29 1jrh s VAL 177 Ca 0.77 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1jrh s VAL 177 Cb -0.29 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1jrh s VAL 177 CO 0.32 -0.17 0.05 -1.48 0.00 0.00 0.00 175.10 173.82 1jrh s LEU 178 N -1.24 3.52 0.00 3.92 2.34 -1.26 -2.29 118.68 123.66 1jrh s LEU 178 Ca -0.04 -0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.04 1jrh s LEU 178 Cb -0.08 -1.92 0.00 0.00 -0.56 0.00 0.00 46.19 43.63 1jrh s LEU 178 CO 0.01 0.05 0.00 1.67 -1.06 0.00 0.00 176.35 177.02 1jrh n GLN 179 N 4.36 0.00 -2.52 1.48 0.00 -0.67 -4.72 117.38 115.31 1jrh n GLN 179 Ca -0.16 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.44 1jrh n GLN 179 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.73 1jrh n GLN 179 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1jrh s SER 180 N -1.00 6.35 -1.01 1.69 0.01 -1.26 -4.32 113.70 114.16 1jrh s SER 180 Ca 0.00 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1jrh s SER 180 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1jrh s SER 180 CO 0.00 -1.64 0.00 0.47 0.41 0.00 0.00 173.24 172.48 1jrh n ASP 183 N 9.33 -3.13 -4.11 2.44 8.00 -1.26 -4.94 116.55 122.89 1jrh n ASP 183 Ca 0.29 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.88 1jrh n ASP 183 Cb 0.50 -2.84 -0.12 0.00 -0.02 0.00 0.00 41.12 38.65 1jrh n ASP 183 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jrh s LEU 184 N -4.45 2.24 0.13 0.64 2.96 -1.26 -4.92 118.68 114.03 1jrh s LEU 184 Ca 0.00 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 1jrh s LEU 184 Cb 0.00 -0.36 -0.06 0.00 0.50 0.00 0.00 46.19 46.27 1jrh s LEU 184 CO 0.00 -0.11 0.45 -0.31 -1.32 0.00 0.00 176.35 175.06 1jrh s TYR 185 N -1.21 3.53 -0.27 5.38 2.02 0.25 -1.68 117.35 125.38 1jrh s TYR 185 Ca -0.05 0.81 -0.14 0.00 -0.37 0.00 0.00 57.07 57.32 1jrh s TYR 185 Cb -0.09 -2.19 0.08 0.00 -0.40 0.00 0.00 41.96 39.36 1jrh s TYR 185 CO 0.01 0.44 0.65 0.99 -1.57 0.00 0.00 175.55 176.06 1jrh s THR 186 N -1.54 -0.12 0.04 -0.71 2.01 -0.97 -0.64 115.64 113.70 1jrh s THR 186 Ca 0.38 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1jrh s THR 186 Cb -0.13 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 1jrh s THR 186 CO 0.20 0.01 0.01 0.00 -0.69 0.00 0.00 174.62 174.15 1jrh n LEU 187 N 4.45 0.00 -3.93 4.42 -0.00 -0.90 -2.59 117.00 118.46 1jrh n LEU 187 Ca -0.19 -0.27 -0.10 0.00 -0.00 0.00 0.00 56.01 55.44 1jrh n LEU 187 Cb 0.57 0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.98 1jrh n LEU 187 CO -0.01 -0.04 -0.26 -0.44 -0.00 0.00 0.00 177.39 176.63 1jrh s SER 188 N -1.22 0.14 -0.28 1.45 0.01 -1.26 -2.30 113.70 110.24 1jrh s SER 188 Ca 0.02 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 1jrh s SER 188 Cb 0.00 0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.49 1jrh s SER 188 CO 0.01 -0.35 0.18 -0.55 0.41 0.00 0.00 173.24 172.94 1jrh s SER 189 N -1.50 2.79 0.21 2.44 0.15 -1.09 0.51 113.70 117.21 1jrh s SER 189 Ca -0.14 -1.02 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 1jrh s SER 189 Cb -0.08 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1jrh s SER 189 CO -0.00 -0.41 0.44 -0.94 1.20 0.00 0.00 173.24 173.52 1jrh s SER 190 N 2.19 6.44 -0.04 5.45 1.04 -0.89 -3.52 113.70 124.37 1jrh s SER 190 Ca 0.08 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 57.01 1jrh s SER 190 Cb -0.15 -2.08 0.01 0.00 0.10 0.00 0.00 66.02 63.90 1jrh s SER 190 CO -0.32 -0.06 0.15 0.54 0.98 0.00 0.00 173.24 174.53 1jrh s VAL 191 N -1.87 0.03 -0.34 5.02 0.11 -1.26 0.36 120.40 122.45 1jrh s VAL 191 Ca 0.41 -0.24 0.16 0.00 -2.93 0.00 0.00 61.98 59.38 1jrh s VAL 191 Cb -0.11 -0.30 0.44 0.00 -1.53 0.00 0.00 36.38 34.88 1jrh s VAL 191 CO 0.28 -0.13 1.09 0.41 -3.33 0.00 0.00 175.10 173.41 1jrh n THR 192 N 2.46 0.71 -3.12 5.04 -1.04 -1.08 -5.03 114.28 112.23 1jrh n THR 192 Ca -0.16 -2.57 0.04 0.00 -2.04 0.00 0.00 64.05 59.32 1jrh n THR 192 Cb 0.58 0.81 -0.00 0.00 -1.82 0.00 0.00 70.33 69.89 1jrh n THR 192 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jrh s ASN 209 N 2.69 5.74 -0.24 0.00 -0.87 0.39 -4.04 114.94 118.62 1jrh s ASN 209 Ca 0.18 0.80 -0.08 0.00 -1.57 0.00 0.00 52.86 52.19 1jrh s ASN 209 Cb -0.05 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.62 1jrh s ASN 209 CO -0.22 -1.92 0.08 -0.69 -2.57 0.00 0.00 177.10 171.78 1jrh s VAL 210 N 7.44 4.46 0.49 1.60 1.01 -0.54 -0.52 120.40 134.34 1jrh s VAL 210 Ca 0.70 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.62 1jrh s VAL 210 Cb -0.17 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1jrh s VAL 210 CO 0.28 0.35 0.37 0.00 0.00 0.00 0.00 175.10 176.09 1jrh s ALA 211 N 1.45 4.21 -0.42 5.51 0.00 -0.79 -0.95 121.76 130.78 1jrh s ALA 211 Ca 0.06 -1.56 -0.00 0.00 0.00 0.00 0.00 51.96 50.46 1jrh s ALA 211 Cb -0.15 -0.75 0.22 0.00 0.00 0.00 0.00 23.12 22.44 1jrh s ALA 211 CO 0.04 -0.35 0.97 1.58 0.00 0.00 0.00 175.76 178.00 1jrh n HIS 212 N -1.63 -2.03 -0.25 0.00 -0.00 -1.09 -3.25 115.22 106.97 1jrh n HIS 212 Ca -0.00 -1.01 0.21 0.00 0.46 0.00 0.00 57.72 57.37 1jrh n HIS 212 Cb 0.64 1.28 0.38 0.00 -0.12 0.00 0.00 29.99 32.17 1jrh n HIS 212 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1jrh n PRO 213 N 2.48 -0.05 0.14 1.57 -0.04 -1.26 -1.66 135.00 136.18 1jrh n PRO 213 Ca 0.12 1.08 -0.14 0.00 -0.04 0.00 0.00 63.50 64.53 1jrh n PRO 213 Cb 0.62 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 1jrh n PRO 213 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jrh h ALA 214 N 1.53 -0.28 -0.78 0.55 0.00 -1.91 -2.99 119.26 115.38 1jrh h ALA 214 Ca 0.59 -0.07 -0.40 0.00 0.00 0.00 0.00 54.91 55.04 1jrh h ALA 214 Cb 1.49 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 19.16 1jrh h ALA 214 CO -0.63 -0.65 0.40 -1.13 0.00 0.00 0.00 179.25 177.25 1jrh n SER 215 N -5.20 3.36 -2.11 0.00 3.41 -0.66 -4.93 113.62 107.48 1jrh n SER 215 Ca -0.09 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1jrh n SER 215 Cb 0.14 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1jrh n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jrh n SER 216 N -1.11 -0.76 -4.78 4.04 7.64 -0.85 -4.90 113.62 112.90 1jrh n SER 216 Ca 0.51 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 60.44 1jrh n SER 216 Cb 1.46 -0.85 0.04 0.00 -1.01 0.00 0.00 64.21 63.84 1jrh n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jrh s THR 217 N -1.70 3.39 -0.48 0.44 2.01 -1.12 -4.92 115.64 113.26 1jrh s THR 217 Ca 0.00 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.71 1jrh s THR 217 Cb 0.00 -3.17 0.26 0.00 0.01 0.00 0.00 72.50 69.59 1jrh s THR 217 CO 0.00 -0.40 0.92 1.17 -0.69 0.00 0.00 174.62 175.62 1jrh n LYS 218 N -2.32 0.83 -2.47 4.92 4.81 -1.26 -2.66 118.16 120.00 1jrh n LYS 218 Ca 0.10 -1.85 -0.40 0.00 -0.87 0.00 0.00 58.31 55.30 1jrh n LYS 218 Cb 0.52 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 1jrh n LYS 218 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jrh s VAL 219 N 0.51 3.75 -0.16 3.15 1.01 -0.12 -4.89 120.40 123.64 1jrh s VAL 219 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1jrh s VAL 219 Cb 0.24 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1jrh s VAL 219 CO -0.20 -1.75 0.90 0.47 0.00 0.00 0.00 175.10 174.52 1jrh n ASP 220 N 9.81 2.62 0.00 3.32 8.00 -1.26 -1.47 116.55 137.57 1jrh n ASP 220 Ca 0.20 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1jrh n ASP 220 Cb 0.50 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1jrh n ASP 220 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10