#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhe s ARG 2 N 0.00 2.70 0.10 2.12 3.00 -1.26 -0.83 118.95 124.77 2jhe s ARG 2 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 55.73 55.04 2jhe s ARG 2 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 34.95 32.83 2jhe s ARG 2 CO 0.00 0.16 -0.15 -0.51 0.00 0.00 0.00 175.30 174.80 2jhe s LEU 3 N 0.37 2.83 -0.24 2.53 1.43 -0.19 -0.93 118.68 124.49 2jhe s LEU 3 Ca -0.17 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2jhe s LEU 3 Cb -0.17 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2jhe s LEU 3 CO 0.07 0.19 -0.12 -0.70 0.23 0.00 0.00 176.35 176.03 2jhe s GLU 4 N -2.06 2.62 -0.39 1.70 2.12 0.92 -1.40 118.70 122.22 2jhe s GLU 4 Ca 0.19 -1.10 -0.15 0.00 0.36 0.00 0.00 54.97 54.27 2jhe s GLU 4 Cb -0.11 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.46 2jhe s GLU 4 CO 0.11 -0.42 0.34 0.08 -0.54 0.00 0.00 175.26 174.82 2jhe s VAL 5 N 1.22 5.20 -0.02 3.70 1.01 0.07 -1.38 120.40 130.20 2jhe s VAL 5 Ca -0.02 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2jhe s VAL 5 Cb -0.17 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2jhe s VAL 5 CO -0.07 -0.24 0.86 -0.36 0.00 0.00 0.00 175.10 175.29 2jhe s PHE 6 N 1.87 3.64 0.14 5.22 0.40 -0.13 -1.00 117.98 128.12 2jhe s PHE 6 Ca 0.08 1.52 -0.08 0.00 -0.60 0.00 0.00 56.93 57.85 2jhe s PHE 6 Cb -0.18 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 2jhe s PHE 6 CO 0.11 0.05 0.23 0.00 0.70 0.00 0.00 175.22 176.32 2jhe s GLU 8 N -3.94 3.39 -0.67 0.00 2.02 0.49 -4.67 118.70 115.30 2jhe s GLU 8 Ca 0.14 1.23 -0.26 0.00 0.02 0.00 0.00 54.97 56.10 2jhe s GLU 8 Cb 0.04 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2jhe s GLU 8 CO -0.03 -0.76 1.96 0.34 0.02 0.00 0.00 175.26 176.79 2jhe s ASP 9 N -2.68 5.10 -0.04 -0.19 2.15 -1.26 -4.92 116.67 114.83 2jhe s ASP 9 Ca 0.64 0.17 -0.03 0.00 0.43 0.00 0.00 52.55 53.77 2jhe s ASP 9 Cb -0.16 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2jhe s ASP 9 CO 0.35 -2.57 0.09 0.00 -0.17 0.00 0.00 175.17 172.86 2jhe s ARG 10 N 7.24 0.08 0.48 4.34 1.70 -1.26 -5.14 118.95 126.39 2jhe s ARG 10 Ca 0.72 0.16 -0.23 0.00 -0.47 0.00 0.00 55.73 55.91 2jhe s ARG 10 Cb -0.12 -0.01 -0.07 0.00 -0.57 0.00 0.00 34.95 34.18 2jhe s ARG 10 CO 0.16 -0.05 1.31 -0.51 -1.08 0.00 0.00 175.30 175.13 2jhe s LEU 11 N 0.30 4.00 0.00 -1.89 1.43 -1.26 -3.39 118.68 117.88 2jhe s LEU 11 Ca -0.02 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 2jhe s LEU 11 Cb -0.03 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.05 2jhe s LEU 11 CO -0.01 -1.22 0.00 0.61 0.23 0.00 0.00 176.35 175.96 2jhe n GLY 12 N 0.63 3.31 0.10 -3.19 0.00 -1.26 -4.93 105.19 99.84 2jhe n GLY 12 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2jhe n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jhe h LEU 13 N 0.00 -0.17 -0.52 0.99 6.46 -1.86 -2.33 115.31 117.88 2jhe h LEU 13 Ca 0.00 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2jhe h LEU 13 Cb 0.00 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2jhe h LEU 13 CO 0.00 -0.06 0.25 0.74 -0.62 0.00 0.00 178.44 178.75 2jhe h THR 14 N -0.01 1.19 -0.54 1.05 2.02 -1.92 0.14 112.91 114.84 2jhe h THR 14 Ca 0.08 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 2jhe h THR 14 Cb 0.13 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2jhe h THR 14 CO -0.17 0.22 0.09 -0.09 0.37 0.00 0.00 175.52 175.94 2jhe h ARG 15 N 0.69 0.90 -0.57 6.66 2.43 -1.99 -1.41 114.38 121.10 2jhe h ARG 15 Ca 0.18 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2jhe h ARG 15 Cb 0.11 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2jhe h ARG 15 CO -0.02 0.87 0.32 1.49 -1.51 0.00 0.00 179.97 181.11 2jhe h GLU 16 N 0.78 0.79 -0.36 0.20 4.81 -0.90 -0.72 114.58 119.18 2jhe h GLU 16 Ca 0.16 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2jhe h GLU 16 Cb 0.41 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.56 2jhe h GLU 16 CO 0.01 0.60 -0.14 1.25 -0.73 0.00 0.00 179.01 180.00 2jhe h LEU 17 N 0.76 -0.49 -0.38 1.64 6.46 -0.78 -1.72 115.31 120.80 2jhe h LEU 17 Ca 0.20 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.05 2jhe h LEU 17 Cb 0.04 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2jhe h LEU 17 CO -0.03 -0.18 0.09 -0.07 -0.62 0.00 0.00 178.44 177.63 2jhe h LEU 18 N -0.07 0.58 -1.13 2.25 3.38 -0.96 -1.39 115.31 117.97 2jhe h LEU 18 Ca 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jhe h LEU 18 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jhe h LEU 18 CO -0.41 0.67 0.20 0.44 0.09 0.00 0.00 178.44 179.43 2jhe h ASP 19 N 0.47 0.75 0.16 -0.43 3.32 -1.13 -0.68 116.42 118.87 2jhe h ASP 19 Ca 0.12 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jhe h ASP 19 Cb 0.32 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2jhe h ASP 19 CO 0.00 0.69 -0.09 0.25 -1.72 0.00 0.00 179.24 178.37 2jhe h LEU 20 N 0.80 -0.23 -1.10 1.55 5.85 -0.99 -0.56 115.31 120.63 2jhe h LEU 20 Ca 0.19 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2jhe h LEU 20 Cb 0.20 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2jhe h LEU 20 CO -0.01 -0.15 0.61 -0.07 -0.34 0.00 0.00 178.44 178.47 2jhe h LEU 21 N -0.24 0.93 0.54 2.25 3.38 -1.08 -0.93 115.31 120.16 2jhe h LEU 21 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jhe h LEU 21 Cb 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jhe h LEU 21 CO 0.02 0.57 -0.30 0.58 0.09 0.00 0.00 178.44 179.40 2jhe h VAL 22 N 1.04 0.38 -0.90 1.22 2.07 -0.98 -1.29 116.25 117.79 2jhe h VAL 22 Ca 0.42 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.10 2jhe h VAL 22 Cb 0.27 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 2jhe h VAL 22 CO -0.17 0.00 0.58 0.25 0.02 0.00 0.00 177.57 178.25 2jhe h LEU 23 N -0.79 0.62 -0.49 2.57 5.85 -0.35 0.22 115.31 122.94 2jhe h LEU 23 Ca -0.07 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jhe h LEU 23 Cb 0.63 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2jhe h LEU 23 CO 0.09 0.29 -0.02 0.54 -0.34 0.00 0.00 178.44 179.00 2jhe n ARG 24 N -4.57 1.25 -2.03 1.25 1.74 -0.42 -4.95 116.66 108.94 2jhe n ARG 24 Ca 0.18 -0.49 -0.15 0.00 -0.77 0.00 0.00 57.85 56.62 2jhe n ARG 24 Cb 0.52 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2jhe n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jhe n GLY 25 N 1.13 0.29 3.76 -0.13 0.00 0.06 -4.98 105.19 105.32 2jhe n GLY 25 Ca 0.20 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2jhe n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jhe s ILE 26 N -2.70 2.88 -1.25 -0.61 1.09 -0.54 -4.93 121.20 115.13 2jhe s ILE 26 Ca 0.00 0.83 -0.16 0.00 -1.10 0.00 0.00 60.65 60.22 2jhe s ILE 26 Cb 0.00 -3.53 0.11 0.00 -1.06 0.00 0.00 42.46 37.98 2jhe s ILE 26 CO 0.00 0.18 1.60 -0.62 -0.10 0.00 0.00 174.94 175.99 2jhe s ASP 27 N -0.27 6.93 -0.12 3.58 -1.08 -1.26 -4.85 116.67 119.60 2jhe s ASP 27 Ca 0.51 -2.65 -0.22 0.00 -0.52 0.00 0.00 52.55 49.66 2jhe s ASP 27 Cb -0.39 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 38.54 2jhe s ASP 27 CO 0.48 -1.00 0.66 -0.22 0.52 0.00 0.00 175.17 175.61 2jhe s LEU 28 N 3.11 4.25 -0.01 -1.34 2.96 -1.26 -1.65 118.68 124.74 2jhe s LEU 28 Ca 0.49 1.04 0.08 0.00 -0.22 0.00 0.00 54.13 55.52 2jhe s LEU 28 Cb 0.01 -2.99 -0.11 0.00 0.50 0.00 0.00 46.19 43.60 2jhe s LEU 28 CO 0.04 -0.17 0.24 0.54 -1.32 0.00 0.00 176.35 175.68 2jhe n ARG 29 N 4.24 1.86 -3.58 1.98 5.12 0.10 -4.97 116.66 121.41 2jhe n ARG 29 Ca -0.02 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 2jhe n ARG 29 Cb 0.51 -1.07 -0.06 0.00 -1.16 0.00 0.00 32.46 30.68 2jhe n ARG 29 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2jhe s GLY 30 N -2.48 -0.39 -0.03 -0.13 0.00 -1.21 -4.99 107.32 98.09 2jhe s GLY 30 Ca -0.01 1.93 -0.02 0.00 0.00 0.00 0.00 44.72 46.62 2jhe s GLY 30 CO 0.34 1.27 0.08 -1.50 0.00 0.00 0.00 173.10 173.28 2jhe s ILE 31 N -0.65 -0.03 0.02 0.90 2.07 -1.26 -1.64 121.20 120.61 2jhe s ILE 31 Ca -0.03 0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.35 2jhe s ILE 31 Cb -0.02 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 2jhe s ILE 31 CO 0.03 0.04 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.37 2jhe s GLU 32 N 0.62 0.88 -0.21 3.50 2.02 -0.39 -4.96 118.70 120.16 2jhe s GLU 32 Ca -0.05 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 2jhe s GLU 32 Cb -0.07 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 2jhe s GLU 32 CO -0.02 0.22 -0.05 0.42 0.02 0.00 0.00 175.26 175.84 2jhe s ILE 33 N -0.61 3.31 -0.14 -1.63 1.09 -1.26 -0.26 121.20 121.69 2jhe s ILE 33 Ca 0.02 -0.52 -0.20 0.00 -1.10 0.00 0.00 60.65 58.85 2jhe s ILE 33 Cb -0.06 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.81 2jhe s ILE 33 CO 0.00 0.44 0.59 -0.62 -0.10 0.00 0.00 174.94 175.25 2jhe s ASP 34 N 1.36 6.75 0.24 3.58 -1.08 0.12 -5.01 116.67 122.63 2jhe s ASP 34 Ca 0.04 0.90 -0.05 0.00 -0.52 0.00 0.00 52.55 52.93 2jhe s ASP 34 Cb -0.14 -2.34 0.42 0.00 -1.46 0.00 0.00 42.92 39.39 2jhe s ASP 34 CO -0.03 -0.15 1.76 -0.65 0.52 0.00 0.00 175.17 176.63 2jhe h PRO 35 N 7.08 0.55 0.00 4.34 0.11 -1.99 -2.70 132.00 139.39 2jhe h PRO 35 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2jhe h PRO 35 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jhe h PRO 35 CO 0.76 0.36 0.07 -0.89 -0.21 0.00 0.00 178.00 178.10 2jhe n ILE 36 N -4.90 0.96 0.00 4.15 -0.00 -1.26 -4.67 119.36 113.64 2jhe n ILE 36 Ca 0.13 0.31 0.00 0.00 -0.00 0.00 0.00 62.75 63.20 2jhe n ILE 36 Cb 0.35 -1.31 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 2jhe n ILE 36 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jhe n GLY 37 N -1.20 1.32 2.87 7.39 0.00 -1.04 -4.99 105.19 109.53 2jhe n GLY 37 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jhe n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jhe s ARG 38 N -0.06 0.36 -0.09 1.61 1.81 -1.06 -0.55 118.95 120.97 2jhe s ARG 38 Ca 0.00 -0.03 -0.00 0.00 -1.72 0.00 0.00 55.73 53.98 2jhe s ARG 38 Cb 0.00 -0.45 -0.03 0.00 -0.45 0.00 0.00 34.95 34.03 2jhe s ARG 38 CO 0.00 -0.04 -0.07 0.42 -0.68 0.00 0.00 175.30 174.93 2jhe s ILE 39 N 0.57 3.67 -0.10 1.52 1.01 -0.17 0.12 121.20 127.81 2jhe s ILE 39 Ca -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2jhe s ILE 39 Cb -0.09 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2jhe s ILE 39 CO -0.01 0.57 -0.06 -0.31 0.00 0.00 0.00 174.94 175.13 2jhe s TYR 40 N -0.42 2.97 -0.16 3.97 2.02 0.64 -0.75 117.35 125.61 2jhe s TYR 40 Ca 0.06 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 2jhe s TYR 40 Cb -0.12 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2jhe s TYR 40 CO 0.02 0.17 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.50 2jhe s LEU 41 N -0.33 1.85 -0.34 -1.29 1.43 -0.49 -1.26 118.68 118.25 2jhe s LEU 41 Ca 0.05 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2jhe s LEU 41 Cb -0.12 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2jhe s LEU 41 CO 0.02 -0.03 0.22 0.21 0.23 0.00 0.00 176.35 177.00 2jhe s ASN 42 N 1.37 5.88 0.13 2.29 3.84 -0.65 -1.03 114.94 126.77 2jhe s ASN 42 Ca 0.04 -0.55 0.10 0.00 0.21 0.00 0.00 52.86 52.66 2jhe s ASN 42 Cb -0.13 -2.09 -0.04 0.00 -0.55 0.00 0.00 41.25 38.44 2jhe s ASN 42 CO -0.11 -0.26 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.35 2jhe s PHE 43 N 1.67 2.40 0.00 0.43 0.08 -0.01 -0.72 117.98 121.83 2jhe s PHE 43 Ca 0.05 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2jhe s PHE 43 Cb -0.18 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 2jhe s PHE 43 CO 0.09 0.36 0.00 0.00 -0.10 0.00 0.00 175.22 175.57 2jhe n ALA 44 N 0.85 0.00 -0.35 5.36 0.00 -0.66 -0.09 120.51 125.62 2jhe n ALA 44 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jhe n ALA 44 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2jhe n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jhe n GLU 45 N 0.00 0.00 -2.92 0.00 4.07 -1.26 -4.41 120.64 116.12 2jhe n GLU 45 Ca 0.00 -0.09 -0.43 0.00 -0.06 0.00 0.00 57.16 56.59 2jhe n GLU 45 Cb 0.00 -1.14 -0.05 0.00 -0.06 0.00 0.00 31.44 30.19 2jhe n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jhe s LEU 46 N 0.00 4.14 0.18 4.31 2.96 -1.26 -4.94 118.68 124.07 2jhe s LEU 46 Ca 0.00 0.12 -0.31 0.00 -0.22 0.00 0.00 54.13 53.72 2jhe s LEU 46 Cb 0.00 -3.06 -0.10 0.00 0.50 0.00 0.00 46.19 43.54 2jhe s LEU 46 CO 0.00 -0.89 1.49 -1.83 -1.32 0.00 0.00 176.35 173.80 2jhe s GLU 47 N 3.36 4.25 0.35 1.98 4.04 -1.26 -4.87 118.70 126.56 2jhe s GLU 47 Ca 0.33 2.29 0.06 0.00 0.04 0.00 0.00 54.97 57.68 2jhe s GLU 47 Cb -0.12 -3.16 0.72 0.00 0.02 0.00 0.00 34.13 31.60 2jhe s GLU 47 CO 0.22 -0.52 1.93 0.35 -1.84 0.00 0.00 175.26 175.40 2jhe h PHE 48 N 6.24 0.83 0.00 4.83 3.57 -2.01 0.28 116.94 130.67 2jhe h PHE 48 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2jhe h PHE 48 Cb 1.21 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2jhe h PHE 48 CO 0.64 0.40 0.00 0.39 -2.23 0.00 0.00 178.31 177.51 2jhe n GLU 49 N -4.50 0.45 0.04 1.11 1.02 -1.26 -1.47 120.64 116.03 2jhe n GLU 49 Ca 0.13 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2jhe n GLU 49 Cb 0.29 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.29 2jhe n GLU 49 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jhe n SER 50 N -1.10 0.64 0.09 1.62 7.64 0.97 -4.61 113.62 118.87 2jhe n SER 50 Ca 0.12 -0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.76 2jhe n SER 50 Cb 0.09 0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.77 2jhe n SER 50 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2jhe h PHE 51 N 0.00 -0.19 -0.62 1.43 3.57 -1.27 -1.79 116.94 118.08 2jhe h PHE 51 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2jhe h PHE 51 Cb 0.73 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.42 2jhe h PHE 51 CO 0.00 0.03 -0.50 0.66 -2.23 0.00 0.00 178.31 176.28 2jhe h SER 52 N -0.38 -1.72 0.24 0.41 4.64 -1.82 -1.99 113.55 112.94 2jhe h SER 52 Ca -0.02 0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2jhe h SER 52 Cb 0.30 0.76 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2jhe h SER 52 CO 0.03 -0.34 -0.27 -1.28 -0.87 0.00 0.00 176.83 174.10 2jhe h SER 53 N -0.23 0.06 0.54 4.97 0.87 -1.81 -1.71 113.55 116.24 2jhe h SER 53 Ca 0.15 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.46 2jhe h SER 53 Cb 0.55 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2jhe h SER 53 CO -0.72 0.34 -1.06 0.25 -0.53 0.00 0.00 176.83 175.11 2jhe h LEU 54 N 0.05 0.41 -0.56 2.23 5.85 -1.02 -3.15 115.31 119.13 2jhe h LEU 54 Ca 0.01 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 2jhe h LEU 54 Cb 0.52 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2jhe h LEU 54 CO 0.04 1.23 -0.56 0.24 -0.34 0.00 0.00 178.44 179.04 2jhe h MET 55 N 0.13 0.46 -0.81 1.25 2.86 -0.80 -2.19 114.93 115.83 2jhe h MET 55 Ca -0.09 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.30 2jhe h MET 55 Cb 1.74 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.38 2jhe h MET 55 CO 0.17 0.90 0.51 0.00 1.06 0.00 0.00 176.91 179.55 2jhe h ALA 56 N 1.04 1.08 -0.26 6.32 0.00 -1.39 -2.08 119.26 123.97 2jhe h ALA 56 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jhe h ALA 56 Cb 1.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jhe h ALA 56 CO 0.10 0.29 -0.04 0.93 0.00 0.00 0.00 179.25 180.52 2jhe h GLU 57 N 0.96 0.49 -0.98 0.00 4.39 -1.45 -2.92 114.58 115.06 2jhe h GLU 57 Ca 0.34 -0.18 0.15 0.00 0.34 0.00 0.00 59.36 60.01 2jhe h GLU 57 Cb 0.08 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 2jhe h GLU 57 CO -0.14 0.69 0.62 0.82 -1.16 0.00 0.00 179.01 179.84 2jhe h ILE 58 N 0.24 0.82 0.00 3.13 2.04 -1.39 -1.43 117.51 120.93 2jhe h ILE 58 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jhe h ILE 58 Cb 0.50 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2jhe h ILE 58 CO 0.02 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.86 2jhe n ARG 59 N -4.66 0.13 0.00 2.37 1.74 -0.79 -2.57 116.66 112.89 2jhe n ARG 59 Ca 0.20 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 2jhe n ARG 59 Cb 0.47 -1.76 0.41 0.00 -1.02 0.00 0.00 32.46 30.57 2jhe n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jhe n ARG 60 N -2.01 1.45 -2.73 5.56 1.74 -0.54 -4.86 116.66 115.27 2jhe n ARG 60 Ca 0.02 -0.91 -0.42 0.00 -0.77 0.00 0.00 57.85 55.77 2jhe n ARG 60 Cb 0.21 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 2jhe n ARG 60 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jhe s ILE 61 N -2.18 4.78 0.04 0.55 1.01 -1.06 -4.98 121.20 119.36 2jhe s ILE 61 Ca 0.32 1.95 -0.34 0.00 0.00 0.00 0.00 60.65 62.58 2jhe s ILE 61 Cb 0.20 -4.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2jhe s ILE 61 CO 0.40 -0.03 1.74 0.00 0.00 0.00 0.00 174.94 177.05 2jhe n ALA 62 N 5.32 1.14 -0.55 9.38 0.00 -1.26 -0.79 120.51 133.75 2jhe n ALA 62 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2jhe n ALA 62 Cb 0.48 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2jhe n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jhe n GLY 63 N 3.93 1.28 3.72 0.00 0.00 -1.26 -4.79 105.19 108.06 2jhe n GLY 63 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2jhe n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhe s VAL 64 N -3.32 4.58 -0.18 1.61 1.01 0.03 -0.38 120.40 123.74 2jhe s VAL 64 Ca 0.00 1.97 0.14 0.00 0.00 0.00 0.00 61.98 64.09 2jhe s VAL 64 Cb 0.00 -4.26 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 2jhe s VAL 64 CO 0.00 0.22 0.04 0.35 0.00 0.00 0.00 175.10 175.70 2jhe n THR 65 N 3.40 1.20 -3.47 3.92 -2.24 -0.13 -4.92 114.28 112.04 2jhe n THR 65 Ca 0.05 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 61.01 2jhe n THR 65 Cb 0.49 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2jhe n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jhe s ASP 66 N -5.23 -0.48 0.01 3.42 2.15 -1.14 -5.01 116.67 110.39 2jhe s ASP 66 Ca -0.11 0.06 0.03 0.00 0.43 0.00 0.00 52.55 52.96 2jhe s ASP 66 Cb 0.05 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 2jhe s ASP 66 CO 0.69 -0.77 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.14 2jhe s VAL 67 N -3.22 0.72 0.01 1.11 1.01 -1.26 -0.95 120.40 117.81 2jhe s VAL 67 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2jhe s VAL 67 Cb -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2jhe s VAL 67 CO -0.09 0.08 0.20 0.00 0.00 0.00 0.00 175.10 175.28 2jhe s ARG 68 N -0.55 0.60 0.81 2.72 1.70 -0.48 -4.98 118.95 118.78 2jhe s ARG 68 Ca 0.01 -0.43 -0.11 0.00 -0.47 0.00 0.00 55.73 54.73 2jhe s ARG 68 Cb -0.05 0.25 0.08 0.00 -0.57 0.00 0.00 34.95 34.67 2jhe s ARG 68 CO 0.00 -0.16 1.09 0.95 -1.08 0.00 0.00 175.30 176.10 2jhe s THR 69 N -1.79 3.10 0.02 4.99 -4.23 -1.26 -0.05 115.64 116.41 2jhe s THR 69 Ca -0.11 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.64 2jhe s THR 69 Cb -0.05 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.97 2jhe s THR 69 CO 0.00 -0.47 0.26 0.54 -0.54 0.00 0.00 174.62 174.41 2jhe s VAL 70 N -2.91 0.08 -0.02 2.29 0.11 -0.10 -4.73 120.40 115.11 2jhe s VAL 70 Ca 0.62 -0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 58.76 2jhe s VAL 70 Cb -0.17 -0.75 -0.20 0.00 -1.53 0.00 0.00 36.38 33.72 2jhe s VAL 70 CO 0.56 -0.37 1.21 1.55 -3.33 0.00 0.00 175.10 174.72 2jhe h PRO 71 N 3.64 0.09 -4.45 1.54 0.13 -1.97 -3.37 132.00 127.61 2jhe h PRO 71 Ca -0.31 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 2jhe h PRO 71 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2jhe h PRO 71 CO 0.44 0.64 -0.66 1.67 -0.23 0.00 0.00 178.00 179.86 2jhe s TRP 72 N -3.93 0.85 0.90 1.56 -2.14 -1.26 -4.71 118.94 110.20 2jhe s TRP 72 Ca -0.16 -1.16 -0.11 0.00 2.66 0.00 0.00 56.10 57.33 2jhe s TRP 72 Cb 0.02 -0.50 0.13 0.00 -3.10 0.00 0.00 33.47 30.02 2jhe s TRP 72 CO 0.70 -0.43 1.09 -1.64 -2.66 0.00 0.00 176.95 174.01 2jhe s MET 73 N -4.00 1.23 0.27 3.25 -1.94 -1.26 -4.92 119.30 111.93 2jhe s MET 73 Ca 0.20 0.96 0.10 0.00 -1.71 0.00 0.00 55.69 55.23 2jhe s MET 73 Cb 0.07 -1.79 0.37 0.00 2.01 0.00 0.00 34.83 35.48 2jhe s MET 73 CO -0.00 -2.30 1.62 -1.35 -0.01 0.00 0.00 175.02 172.98 2jhe h PRO 74 N -1.60 0.04 0.14 2.03 0.11 -1.99 -2.49 132.00 128.25 2jhe h PRO 74 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jhe h PRO 74 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2jhe h PRO 74 CO 0.52 0.62 -0.07 0.66 -0.21 0.00 0.00 178.00 179.53 2jhe h SER 75 N 0.03 -0.16 0.18 -2.05 4.64 -2.03 -3.10 113.55 111.06 2jhe h SER 75 Ca -0.01 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 2jhe h SER 75 Cb 1.06 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2jhe h SER 75 CO 0.08 0.17 -0.17 1.05 -0.87 0.00 0.00 176.83 177.09 2jhe h GLU 76 N -0.52 0.00 -4.94 4.77 4.11 -1.97 -3.45 114.58 112.58 2jhe h GLU 76 Ca -0.02 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.93 2jhe h GLU 76 Cb 0.40 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 2jhe h GLU 76 CO 0.03 0.17 1.76 -2.13 0.07 0.00 0.00 179.01 178.92 2jhe n ARG 77 N -4.32 0.00 -0.82 1.06 0.00 -0.94 -2.54 116.66 109.10 2jhe n ARG 77 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2jhe n ARG 77 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.26 2jhe n ARG 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2jhe n GLU 78 N 8.13 0.00 0.00 -0.14 4.71 -1.26 -4.63 120.64 127.45 2jhe n GLU 78 Ca 0.65 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.90 2jhe n GLU 78 Cb 0.04 -2.07 0.48 0.00 -1.01 0.00 0.00 31.44 28.88 2jhe n GLU 78 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2jhe n HIS 79 N -2.03 0.00 0.06 -0.32 1.44 -1.08 -1.82 115.22 111.47 2jhe n HIS 79 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 2jhe n HIS 79 Cb 0.00 -0.39 -0.12 0.00 0.12 0.00 0.00 29.99 29.60 2jhe n HIS 79 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2jhe h LEU 80 N 0.00 0.00 -0.19 2.39 3.38 -1.75 -3.20 115.31 115.93 2jhe h LEU 80 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2jhe h LEU 80 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jhe h LEU 80 CO 0.00 0.98 -0.66 0.00 0.09 0.00 0.00 178.44 178.85 2jhe h ALA 81 N 1.02 0.34 -0.13 1.53 0.00 -1.66 -1.54 119.26 118.83 2jhe h ALA 81 Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2jhe h ALA 81 Cb 1.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2jhe h ALA 81 CO 0.12 0.63 0.04 -0.07 0.00 0.00 0.00 179.25 179.97 2jhe h LEU 82 N 0.52 0.15 -0.26 0.00 4.07 -1.64 -2.91 115.31 115.24 2jhe h LEU 82 Ca -0.03 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.80 2jhe h LEU 82 Cb 1.28 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 2jhe h LEU 82 CO 0.14 0.15 -0.30 -1.28 -1.08 0.00 0.00 178.44 176.07 2jhe h SER 83 N 0.17 0.71 -0.11 -0.43 0.87 -1.48 -2.92 113.55 110.36 2jhe h SER 83 Ca 0.04 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2jhe h SER 83 Cb 0.06 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jhe h SER 83 CO -0.00 1.06 0.10 0.00 -0.53 0.00 0.00 176.83 177.45 2jhe h ALA 84 N 0.67 1.83 -0.05 6.23 0.00 -1.09 -1.45 119.26 125.41 2jhe h ALA 84 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jhe h ALA 84 Cb 0.88 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jhe h ALA 84 CO 0.07 -0.15 -0.08 -0.07 0.00 0.00 0.00 179.25 179.02 2jhe h LEU 85 N 0.00 0.16 -1.19 0.00 3.38 -1.44 -2.70 115.31 113.51 2jhe h LEU 85 Ca 0.05 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.51 2jhe h LEU 85 Cb 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2jhe h LEU 85 CO -0.00 0.66 0.55 0.25 0.09 0.00 0.00 178.44 179.99 2jhe h LEU 86 N -0.35 0.92 -0.56 1.67 5.85 -1.31 -2.87 115.31 118.67 2jhe h LEU 86 Ca 0.00 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2jhe h LEU 86 Cb 0.63 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jhe h LEU 86 CO 0.02 0.65 -0.61 -0.33 -0.34 0.00 0.00 178.44 177.82 2jhe h GLU 87 N 1.08 0.38 -0.21 1.25 4.39 -1.30 -3.00 114.58 117.16 2jhe h GLU 87 Ca 0.32 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 2jhe h GLU 87 Cb -0.03 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2jhe h GLU 87 CO -0.09 0.87 -0.11 0.00 -1.16 0.00 0.00 179.01 178.52 2jhe h ALA 88 N 1.07 1.42 -1.98 3.43 0.00 -1.26 -3.40 119.26 118.53 2jhe h ALA 88 Ca -0.01 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 54.08 2jhe h ALA 88 Cb 1.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2jhe h ALA 88 CO 0.10 0.40 1.21 1.28 0.00 0.00 0.00 179.25 182.25 2jhe n LEU 89 N -4.25 3.42 0.20 0.00 4.77 -1.14 -4.82 117.00 115.18 2jhe n LEU 89 Ca -0.00 0.80 0.14 0.00 -0.03 0.00 0.00 56.01 56.92 2jhe n LEU 89 Cb 0.28 -1.41 0.57 0.00 -2.33 0.00 0.00 43.42 40.53 2jhe n LEU 89 CO 0.39 -0.16 0.92 1.55 -1.33 0.00 0.00 177.39 178.76 2jhe h PRO 90 N 10.58 0.00 -5.89 3.23 0.13 -1.90 -3.43 132.00 134.71 2jhe h PRO 90 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 2jhe h PRO 90 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2jhe h PRO 90 CO 0.96 0.00 -0.56 -1.21 -0.23 0.00 0.00 178.00 176.96 2jhe s GLU 91 N -3.47 2.12 0.15 0.86 2.02 -1.26 -4.79 118.70 114.32 2jhe s GLU 91 Ca 0.03 -1.87 -0.32 0.00 0.02 0.00 0.00 54.97 52.84 2jhe s GLU 91 Cb 0.09 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 32.32 2jhe s GLU 91 CO 0.47 -0.01 1.78 -2.30 0.02 0.00 0.00 175.26 175.22 2jhe n PRO 92 N -1.08 2.73 -4.50 0.39 -0.02 -1.26 -4.68 135.00 126.58 2jhe n PRO 92 Ca -0.03 0.99 -0.20 0.00 -2.02 0.00 0.00 63.50 62.23 2jhe n PRO 92 Cb 0.64 -2.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.12 2jhe n PRO 92 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jhe s VAL 93 N 2.09 0.90 0.17 -1.45 1.01 -1.26 -1.26 120.40 120.61 2jhe s VAL 93 Ca 0.80 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 2jhe s VAL 93 Cb -0.51 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.17 2jhe s VAL 93 CO 0.36 0.26 0.58 -1.48 0.00 0.00 0.00 175.10 174.82 2jhe s LEU 94 N -0.22 -0.39 0.11 3.92 0.05 0.07 -2.55 118.68 119.68 2jhe s LEU 94 Ca 0.03 -0.11 0.08 0.00 0.05 0.00 0.00 54.13 54.18 2jhe s LEU 94 Cb -0.05 2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 46.54 2jhe s LEU 94 CO -0.00 -0.99 -0.16 -0.94 -0.55 0.00 0.00 176.35 173.71 2jhe s SER 95 N -2.78 4.03 0.12 1.48 1.04 -0.24 0.17 113.70 117.53 2jhe s SER 95 Ca 0.02 -0.51 0.10 0.00 0.48 0.00 0.00 55.95 56.04 2jhe s SER 95 Cb -0.01 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 2jhe s SER 95 CO -0.11 0.18 -0.23 0.68 0.98 0.00 0.00 173.24 174.74 2jhe s VAL 96 N -1.15 1.98 0.26 5.02 -7.23 -0.78 -1.34 120.40 117.15 2jhe s VAL 96 Ca 0.19 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2jhe s VAL 96 Cb -0.11 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.10 2jhe s VAL 96 CO 0.11 -0.03 0.35 -0.90 -0.31 0.00 0.00 175.10 174.32 2jhe n ASP 97 N 0.90 0.18 0.02 4.85 5.68 -0.08 -3.09 116.55 124.99 2jhe n ASP 97 Ca -0.18 -1.22 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 2jhe n ASP 97 Cb 0.54 -0.25 0.41 0.00 -1.14 0.00 0.00 41.12 40.68 2jhe n ASP 97 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2jhe n MET 98 N -1.71 0.03 -0.41 0.11 2.81 -1.26 -0.20 117.12 116.49 2jhe n MET 98 Ca 0.05 0.20 0.08 0.00 -1.81 0.00 0.00 57.70 56.22 2jhe n MET 98 Cb 0.17 -1.55 0.27 0.00 -0.71 0.00 0.00 33.22 31.40 2jhe n MET 98 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jhe n LYS 99 N -1.61 2.84 -1.61 0.03 4.01 -1.26 -4.94 118.16 115.62 2jhe n LYS 99 Ca 0.04 -2.18 -0.20 0.00 -0.51 0.00 0.00 58.31 55.46 2jhe n LYS 99 Cb 0.23 -1.64 -0.09 0.00 -0.51 0.00 0.00 35.03 33.02 2jhe n LYS 99 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2jhe n SER 100 N 0.98 -5.38 -4.80 4.39 3.41 0.72 -4.88 113.62 108.05 2jhe n SER 100 Ca 0.20 0.50 -0.34 0.00 -0.26 0.00 0.00 58.87 58.96 2jhe n SER 100 Cb 0.63 -4.76 -0.05 0.00 -0.26 0.00 0.00 64.21 59.77 2jhe n SER 100 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jhe s LYS 101 N -3.75 4.15 -0.17 4.33 2.20 -1.26 -0.74 119.74 124.50 2jhe s LYS 101 Ca 0.00 1.29 -0.29 0.00 -0.36 0.00 0.00 55.97 56.60 2jhe s LYS 101 Cb 0.00 -2.31 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 2jhe s LYS 101 CO 0.00 -0.12 1.42 0.08 -0.36 0.00 0.00 175.35 176.38 2jhe s VAL 102 N -1.95 3.99 0.00 4.02 1.01 0.11 -0.91 120.40 126.67 2jhe s VAL 102 Ca 0.61 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2jhe s VAL 102 Cb -0.15 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2jhe s VAL 102 CO 0.19 -0.20 0.00 -0.67 0.00 0.00 0.00 175.10 174.42 2jhe n ASP 103 N 7.23 0.00 -4.71 3.32 2.03 -0.45 -4.41 116.55 119.57 2jhe n ASP 103 Ca 0.16 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.42 2jhe n ASP 103 Cb 0.45 -0.37 -0.07 0.00 -0.72 0.00 0.00 41.12 40.41 2jhe n ASP 103 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2jhe s MET 104 N -0.73 2.29 -0.29 -0.67 -1.94 -1.24 -4.86 119.30 111.85 2jhe s MET 104 Ca 0.00 -1.62 -0.17 0.00 -1.71 0.00 0.00 55.69 52.18 2jhe s MET 104 Cb 0.00 -2.10 0.17 0.00 2.01 0.00 0.00 34.83 34.91 2jhe s MET 104 CO 0.00 0.09 1.10 0.00 -0.01 0.00 0.00 175.02 176.20 2jhe s ALA 105 N -2.46 -2.37 0.88 3.03 0.00 -1.26 -1.08 121.76 118.49 2jhe s ALA 105 Ca 0.37 2.07 -0.13 0.00 0.00 0.00 0.00 51.96 54.27 2jhe s ALA 105 Cb -0.01 -1.78 0.15 0.00 0.00 0.00 0.00 23.12 21.47 2jhe s ALA 105 CO 0.22 -0.31 1.23 0.54 0.00 0.00 0.00 175.76 177.44 2jhe s ASN 106 N 1.06 3.77 0.36 0.00 4.22 -1.06 -4.90 114.94 118.40 2jhe s ASN 106 Ca -0.07 0.41 0.08 0.00 -2.14 0.00 0.00 52.86 51.14 2jhe s ASN 106 Cb -0.03 -0.67 0.70 0.00 1.28 0.00 0.00 41.25 42.53 2jhe s ASN 106 CO -0.13 -2.33 1.88 -0.65 -2.04 0.00 0.00 177.10 173.83 2jhe h PRO 107 N -1.31 0.31 -0.95 3.55 0.11 -1.86 -2.72 132.00 129.13 2jhe h PRO 107 Ca -0.44 -0.08 0.11 0.00 0.11 0.00 0.00 66.00 65.70 2jhe h PRO 107 Cb 1.27 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 2jhe h PRO 107 CO 0.49 0.45 0.58 0.00 -0.21 0.00 0.00 178.00 179.31 2jhe h ALA 108 N 1.57 1.40 -0.53 -0.75 0.00 -1.85 0.99 119.26 120.09 2jhe h ALA 108 Ca 0.06 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jhe h ALA 108 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jhe h ALA 108 CO 0.03 0.20 0.32 0.77 0.00 0.00 0.00 179.25 180.56 2jhe h SER 109 N 0.94 0.52 -0.07 0.00 0.02 -1.76 -1.65 113.55 111.55 2jhe h SER 109 Ca 0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.32 2jhe h SER 109 Cb 0.43 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jhe h SER 109 CO -0.26 0.37 -0.25 0.00 -1.14 0.00 0.00 176.83 175.55 2jhe h GLN 111 N 0.44 0.43 0.33 0.00 1.08 -0.82 -0.41 115.11 116.16 2jhe h GLN 111 Ca 0.06 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2jhe h GLN 111 Cb 0.68 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 2jhe h GLN 111 CO 0.05 0.83 -0.25 1.25 -0.95 0.00 0.00 178.83 179.75 2jhe h LEU 112 N 0.06 -0.66 -0.01 1.46 5.85 -1.01 -2.58 115.31 118.41 2jhe h LEU 112 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jhe h LEU 112 Cb 0.77 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jhe h LEU 112 CO 0.05 -0.38 -0.02 0.49 -0.34 0.00 0.00 178.44 178.24 2jhe n PHE 113 N -5.38 0.00 -2.10 1.25 3.72 -0.46 -4.92 117.46 109.57 2jhe n PHE 113 Ca -0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.16 2jhe n PHE 113 Cb 0.29 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 2jhe n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jhe n GLY 114 N 1.40 0.14 3.28 1.37 0.00 -0.20 -4.99 105.19 106.19 2jhe n GLY 114 Ca 0.10 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2jhe n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jhe s GLN 115 N -4.42 1.21 0.56 1.61 -0.21 -0.98 -5.04 119.66 112.39 2jhe s GLN 115 Ca 0.00 -1.09 -0.13 0.00 0.02 0.00 0.00 55.36 54.15 2jhe s GLN 115 Cb 0.00 -1.43 -0.06 0.00 1.00 0.00 0.00 33.01 32.52 2jhe s GLN 115 CO 0.00 0.34 1.00 -1.59 -2.12 0.00 0.00 175.29 172.92 2jhe s LYS 116 N -1.68 3.76 0.45 2.91 0.00 -1.26 -4.47 119.74 119.45 2jhe s LYS 116 Ca 0.07 0.82 0.25 0.00 0.00 0.00 0.00 55.97 57.11 2jhe s LYS 116 Cb -0.10 -2.12 1.26 0.00 0.00 0.00 0.00 37.83 36.87 2jhe s LYS 116 CO 0.03 -0.41 1.78 1.25 0.00 0.00 0.00 175.35 178.00 2jhe h LEU 117 N 0.30 0.29 0.12 2.77 5.85 -1.94 -0.39 115.31 122.31 2jhe h LEU 117 Ca -0.45 0.06 -0.32 0.00 0.84 0.00 0.00 57.88 58.00 2jhe h LEU 117 Cb 1.19 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2jhe h LEU 117 CO 0.62 0.05 -1.68 0.44 -0.34 0.00 0.00 178.44 177.52 2jhe h ASP 118 N 0.25 0.40 -0.80 1.25 3.32 -1.99 -0.19 116.42 118.66 2jhe h ASP 118 Ca 0.59 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2jhe h ASP 118 Cb 1.77 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 41.15 2jhe h ASP 118 CO -0.21 1.54 0.47 0.03 -1.72 0.00 0.00 179.24 179.36 2jhe h ARG 119 N 0.07 1.09 0.14 3.56 2.47 -1.88 -3.24 114.38 116.59 2jhe h ARG 119 Ca -0.30 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.33 2jhe h ARG 119 Cb 2.04 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 30.10 2jhe h ARG 119 CO 0.14 0.77 -0.26 1.25 0.56 0.00 0.00 179.97 182.44 2jhe h LEU 120 N 1.10 -0.73 -1.32 3.04 5.85 -0.95 -1.75 115.31 120.55 2jhe h LEU 120 Ca 0.29 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2jhe h LEU 120 Cb -0.03 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2jhe h LEU 120 CO -0.05 -0.35 0.43 0.03 -0.34 0.00 0.00 178.44 178.15 2jhe h ARG 121 N -0.48 0.00 -0.59 1.25 3.08 -1.05 -1.53 114.38 115.06 2jhe h ARG 121 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jhe h ARG 121 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jhe h ARG 121 CO -0.14 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.85 2jhe n ASN 122 N -2.54 2.85 -4.45 7.04 3.02 -0.66 -4.22 115.26 116.31 2jhe n ASN 122 Ca -0.01 -2.25 -0.29 0.00 -0.03 0.00 0.00 54.58 51.99 2jhe n ASN 122 Cb 0.46 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 2jhe n ASN 122 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2jhe s HIS 123 N -1.71 2.45 0.61 3.10 3.76 -0.58 -5.02 115.29 117.91 2jhe s HIS 123 Ca 0.28 -0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.73 2jhe s HIS 123 Cb 0.18 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.52 2jhe s HIS 123 CO 0.13 0.35 1.08 0.99 -0.85 0.00 0.00 174.74 176.45 2jhe s THR 124 N -1.08 3.52 0.24 1.30 2.01 -1.26 -0.71 115.64 119.65 2jhe s THR 124 Ca 0.16 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 62.83 2jhe s THR 124 Cb -0.10 -3.26 0.22 0.00 0.01 0.00 0.00 72.50 69.36 2jhe s THR 124 CO 0.08 -0.41 1.89 0.00 -0.69 0.00 0.00 174.62 175.50 2jhe h ALA 125 N 0.36 1.16 0.00 7.40 0.00 -1.27 -2.53 119.26 124.38 2jhe h ALA 125 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jhe h ALA 125 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jhe h ALA 125 CO 0.56 0.47 0.00 0.00 0.00 0.00 0.00 179.25 180.28 2jhe h ALA 126 N 1.35 1.00 0.00 0.00 0.00 -1.85 0.03 119.26 119.80 2jhe h ALA 126 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jhe h ALA 126 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jhe h ALA 126 CO -0.10 0.00 -1.00 1.04 0.00 0.00 0.00 179.25 179.19 2jhe n GLN 127 N -3.06 0.43 -0.11 0.00 6.02 -0.96 -4.22 117.38 115.47 2jhe n GLN 127 Ca -0.02 0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 2jhe n GLN 127 Cb 0.11 -1.69 -0.14 0.00 1.02 0.00 0.00 30.24 29.54 2jhe n GLN 127 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jhe n LEU 128 N -2.26 1.65 -3.78 1.08 4.77 -0.39 -4.97 117.00 113.10 2jhe n LEU 128 Ca 0.01 -0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 2jhe n LEU 128 Cb 0.49 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.12 2jhe n LEU 128 CO 0.40 0.74 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.18 2jhe s ILE 129 N -2.51 0.62 0.72 -0.08 1.01 -0.14 -4.96 121.20 115.86 2jhe s ILE 129 Ca -0.24 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2jhe s ILE 129 Cb 0.08 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.64 2jhe s ILE 129 CO 0.70 0.02 1.09 0.20 0.00 0.00 0.00 174.94 176.96 2jhe s ASN 130 N 1.84 4.86 0.00 3.58 0.01 -1.26 -4.37 114.94 119.59 2jhe s ASN 130 Ca 0.01 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.01 2jhe s ASN 130 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2jhe s ASN 130 CO -0.07 -1.80 0.00 0.61 -1.51 0.00 0.00 177.10 174.33 2jhe n GLY 131 N -1.10 0.84 3.49 0.66 0.00 -1.26 -4.61 105.19 103.22 2jhe n GLY 131 Ca 0.09 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2jhe n GLY 131 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jhe s PHE 132 N -2.00 -0.82 -0.97 1.61 5.36 -1.26 -4.99 117.98 114.91 2jhe s PHE 132 Ca 0.00 1.74 -0.21 0.00 -0.96 0.00 0.00 56.93 57.50 2jhe s PHE 132 Cb 0.00 0.42 0.09 0.00 -0.34 0.00 0.00 43.02 43.19 2jhe s PHE 132 CO 0.00 -0.42 1.28 1.21 -1.46 0.00 0.00 175.22 175.84 2jhe s ASN 133 N 1.20 6.56 0.10 6.13 3.84 -1.26 -4.83 114.94 126.68 2jhe s ASN 133 Ca -0.07 -1.73 -0.17 0.00 0.21 0.00 0.00 52.86 51.09 2jhe s ASN 133 Cb -0.06 -2.48 -0.07 0.00 -0.55 0.00 0.00 41.25 38.09 2jhe s ASN 133 CO -0.12 -1.29 1.54 -0.26 -2.79 0.00 0.00 177.10 174.18 2jhe h PHE 134 N 9.32 0.56 -0.23 0.43 0.04 -1.97 -2.54 116.94 122.54 2jhe h PHE 134 Ca 0.17 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2jhe h PHE 134 Cb 1.02 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 2jhe h PHE 134 CO 1.22 0.65 0.15 -0.07 -0.60 0.00 0.00 178.31 179.66 2jhe h LEU 135 N 0.30 0.27 -0.14 1.54 -0.00 -1.94 -2.38 115.31 112.96 2jhe h LEU 135 Ca 0.08 -0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2jhe h LEU 135 Cb 0.43 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2jhe h LEU 135 CO 0.01 0.19 -0.06 -0.09 -0.00 0.00 0.00 178.44 178.49 2jhe h ARG 136 N 0.31 -0.05 -0.83 1.13 2.43 -1.98 -2.08 114.38 113.32 2jhe h ARG 136 Ca 0.08 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2jhe h ARG 136 Cb -0.03 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 2jhe h ARG 136 CO -0.02 -0.03 0.48 2.35 -1.51 0.00 0.00 179.97 181.24 2jhe h TRP 137 N -0.05 0.86 -0.44 2.20 7.01 -1.27 -2.33 115.95 121.92 2jhe h TRP 137 Ca 0.08 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2jhe h TRP 137 Cb 0.16 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 2jhe h TRP 137 CO -0.20 0.34 0.14 -0.07 -2.79 0.00 0.00 178.44 175.86 2jhe h LEU 138 N 0.79 0.65 -0.83 0.65 4.07 -1.23 -2.92 115.31 116.48 2jhe h LEU 138 Ca 0.40 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2jhe h LEU 138 Cb 0.38 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2jhe h LEU 138 CO -0.25 0.68 0.00 -0.62 -1.08 0.00 0.00 178.44 177.17 2jhe n GLU 139 N -4.55 0.13 -0.06 1.13 1.02 -0.80 -2.95 120.64 114.55 2jhe n GLU 139 Ca 0.00 0.50 0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2jhe n GLU 139 Cb 0.19 -1.82 0.38 0.00 -0.02 0.00 0.00 31.44 30.16 2jhe n GLU 139 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jhe n SER 140 N -2.08 1.14 -3.92 1.62 3.41 -0.97 -4.95 113.62 107.86 2jhe n SER 140 Ca 0.01 -1.68 -0.27 0.00 -0.26 0.00 0.00 58.87 56.67 2jhe n SER 140 Cb 0.12 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2jhe n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jhe n GLU 141 N -0.00 -4.10 -1.71 4.33 0.00 -1.15 -4.88 120.64 113.11 2jhe n GLU 141 Ca 0.14 0.49 -0.42 0.00 0.00 0.00 0.00 57.16 57.37 2jhe n GLU 141 Cb 0.24 -4.96 0.00 0.00 0.00 0.00 0.00 31.44 26.72 2jhe n GLU 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2jhe n PRO 142 N -4.42 2.15 -0.10 3.44 -0.04 -1.26 -4.94 135.00 129.83 2jhe n PRO 142 Ca -0.18 0.76 0.07 0.00 -0.04 0.00 0.00 63.50 64.10 2jhe n PRO 142 Cb 0.63 -2.40 0.12 0.00 -0.04 0.00 0.00 33.50 31.80 2jhe n PRO 142 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jhe n GLN 143 N 0.36 1.80 -3.80 0.54 1.13 -1.26 -4.83 117.38 111.32 2jhe n GLN 143 Ca 0.05 -1.73 -0.12 0.00 -1.94 0.00 0.00 57.00 53.25 2jhe n GLN 143 Cb 0.38 -1.31 -0.09 0.00 0.11 0.00 0.00 30.24 29.33 2jhe n GLN 143 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jhe s ASP 144 N -1.11 -0.10 0.61 1.08 1.01 -1.26 -5.05 116.67 111.85 2jhe s ASP 144 Ca 0.23 -0.05 -0.18 0.00 0.71 0.00 0.00 52.55 53.26 2jhe s ASP 144 Cb 0.14 0.27 -0.07 0.00 1.01 0.00 0.00 42.92 44.27 2jhe s ASP 144 CO 0.19 -0.43 0.55 -1.20 0.21 0.00 0.00 175.17 174.49 2jhe n SER 145 N 1.27 -0.97 -3.96 0.27 7.64 -1.26 -4.68 113.62 111.94 2jhe n SER 145 Ca -0.22 0.70 -0.20 0.00 1.01 0.00 0.00 58.87 60.16 2jhe n SER 145 Cb 0.56 -1.20 -0.16 0.00 -1.01 0.00 0.00 64.21 62.41 2jhe n SER 145 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jhe s HIS 146 N -1.75 0.87 -0.13 1.43 2.46 -0.46 -5.00 115.29 112.71 2jhe s HIS 146 Ca 0.68 -0.23 -0.02 0.00 0.47 0.00 0.00 55.06 55.96 2jhe s HIS 146 Cb -0.42 -0.66 -0.03 0.00 -0.13 0.00 0.00 32.58 31.34 2jhe s HIS 146 CO 0.55 -0.13 -0.05 -0.80 -2.47 0.00 0.00 174.74 171.83 2jhe s ASN 147 N 0.44 4.75 -0.01 9.88 0.01 -1.26 -1.93 114.94 126.82 2jhe s ASN 147 Ca -0.07 -0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 2jhe s ASN 147 Cb -0.11 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 39.97 2jhe s ASN 147 CO 0.01 0.24 0.03 -0.70 -1.51 0.00 0.00 177.10 175.16 2jhe s GLU 148 N -0.05 0.03 -0.20 -0.60 2.56 -0.25 -4.96 118.70 115.24 2jhe s GLU 148 Ca 0.01 0.03 -0.29 0.00 0.00 0.00 0.00 54.97 54.72 2jhe s GLU 148 Cb -0.13 0.02 -0.00 0.00 2.00 0.00 0.00 34.13 36.01 2jhe s GLU 148 CO 0.03 -0.00 1.16 -1.58 -0.56 0.00 0.00 175.26 174.30 2jhe s HIS 149 N 0.01 3.08 0.14 5.30 5.65 -1.26 -0.58 115.29 127.63 2jhe s HIS 149 Ca -0.00 1.23 0.06 0.00 0.25 0.00 0.00 55.06 56.60 2jhe s HIS 149 Cb -0.00 -3.40 -0.04 0.00 -1.18 0.00 0.00 32.58 27.96 2jhe s HIS 149 CO 0.00 -1.11 -0.13 0.14 -0.65 0.00 0.00 174.74 172.98 2jhe s VAL 150 N 3.37 1.36 -0.10 0.89 -7.23 -0.78 -4.98 120.40 112.92 2jhe s VAL 150 Ca 0.50 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2jhe s VAL 150 Cb -0.18 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2jhe s VAL 150 CO 0.11 -0.51 -0.21 0.54 -0.31 0.00 0.00 175.10 174.72 2jhe s VAL 151 N -2.51 1.83 -0.13 1.32 0.11 -1.26 -0.51 120.40 119.25 2jhe s VAL 151 Ca 0.13 -0.88 -0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2jhe s VAL 151 Cb -0.03 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.25 2jhe s VAL 151 CO 0.03 0.51 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.60 2jhe s ILE 152 N 0.51 1.11 -1.49 7.04 1.01 -0.66 -4.54 121.20 124.19 2jhe s ILE 152 Ca -0.16 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2jhe s ILE 152 Cb -0.17 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2jhe s ILE 152 CO 0.06 0.31 0.18 0.59 0.00 0.00 0.00 174.94 176.08 2jhe n ASN 153 N 4.90 0.40 0.00 3.58 5.03 -1.26 -0.98 115.26 126.93 2jhe n ASN 153 Ca -0.13 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.16 2jhe n ASN 153 Cb 0.49 -2.24 0.00 0.00 -1.02 0.00 0.00 39.78 37.01 2jhe n ASN 153 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jhe n GLY 154 N -2.32 1.23 3.54 7.41 0.00 -1.26 -5.01 105.19 108.78 2jhe n GLY 154 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2jhe n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jhe s GLN 155 N -0.07 3.77 0.20 1.61 -0.21 -0.15 -5.08 119.66 119.73 2jhe s GLN 155 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 2jhe s GLN 155 Cb 0.00 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.90 2jhe s GLN 155 CO 0.00 0.24 1.08 -0.80 -2.12 0.00 0.00 175.29 173.68 2jhe s ASN 156 N 0.41 7.32 0.08 5.90 0.01 -1.26 -1.66 114.94 125.74 2jhe s ASN 156 Ca -0.01 2.10 0.05 0.00 -0.71 0.00 0.00 52.86 54.28 2jhe s ASN 156 Cb -0.14 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 2jhe s ASN 156 CO 0.02 -0.16 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.95 2jhe s PHE 157 N -0.50 1.21 -0.26 2.20 0.40 0.33 -2.54 117.98 118.83 2jhe s PHE 157 Ca 0.47 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 56.13 2jhe s PHE 157 Cb -0.29 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 2jhe s PHE 157 CO 0.36 0.06 0.48 -1.17 0.70 0.00 0.00 175.22 175.65 2jhe s LEU 158 N -1.93 4.05 -0.22 -0.37 2.96 0.54 -1.87 118.68 121.84 2jhe s LEU 158 Ca 0.00 0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 54.30 2jhe s LEU 158 Cb -0.08 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2jhe s LEU 158 CO 0.02 -0.26 0.11 -0.32 -1.32 0.00 0.00 176.35 174.58 2jhe s MET 159 N 2.21 3.93 -0.26 1.98 -2.45 0.26 -0.03 119.30 124.94 2jhe s MET 159 Ca 0.20 -0.35 -0.03 0.00 -1.25 0.00 0.00 55.69 54.26 2jhe s MET 159 Cb -0.16 -3.38 0.02 0.00 1.25 0.00 0.00 34.83 32.56 2jhe s MET 159 CO 0.09 0.06 -0.03 -2.00 1.05 0.00 0.00 175.02 174.19 2jhe s GLU 160 N 0.99 2.93 -0.19 4.11 2.12 0.60 -1.09 118.70 128.17 2jhe s GLU 160 Ca 0.05 -0.93 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 2jhe s GLU 160 Cb -0.14 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2jhe s GLU 160 CO 0.03 -0.39 0.09 -1.50 -0.54 0.00 0.00 175.26 172.95 2jhe s ILE 161 N 1.37 4.99 -0.04 -3.70 2.07 -0.81 -0.54 121.20 124.54 2jhe s ILE 161 Ca 0.01 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2jhe s ILE 161 Cb -0.17 -3.27 0.01 0.00 0.13 0.00 0.00 42.46 39.17 2jhe s ILE 161 CO -0.03 0.44 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.47 2jhe s THR 162 N 0.48 0.77 0.31 4.00 2.01 -0.38 -1.36 115.64 121.47 2jhe s THR 162 Ca 0.05 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2jhe s THR 162 Cb -0.12 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.56 2jhe s THR 162 CO 0.00 0.26 1.32 -2.16 -0.69 0.00 0.00 174.62 173.36 2jhe s PRO 163 N 0.56 4.34 -0.23 4.92 0.04 -1.26 0.27 135.00 143.64 2jhe s PRO 163 Ca -0.09 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2jhe s PRO 163 Cb -0.13 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2jhe s PRO 163 CO 0.01 -0.22 0.01 0.08 0.04 0.00 0.00 177.00 176.92 2jhe s VAL 164 N -0.93 3.86 -0.89 -0.36 1.01 -1.05 -4.75 120.40 117.28 2jhe s VAL 164 Ca 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2jhe s VAL 164 Cb -0.40 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jhe s VAL 164 CO 0.51 0.38 0.00 -1.22 0.00 0.00 0.00 175.10 174.77 2jhe n TYR 165 N 4.81 -0.02 -2.41 5.22 4.02 -1.26 -1.63 117.16 125.89 2jhe n TYR 165 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.69 2jhe n TYR 165 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.10 2jhe n TYR 165 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2jhe n LEU 166 N -0.98 -5.45 -0.77 7.72 -0.00 -1.26 -4.62 117.00 111.63 2jhe n LEU 166 Ca -0.09 0.18 -0.07 0.00 -0.00 0.00 0.00 56.01 56.03 2jhe n LEU 166 Cb 0.29 -2.49 -0.01 0.00 -0.00 0.00 0.00 43.42 41.21 2jhe n LEU 166 CO 0.13 -1.16 -0.09 0.00 -0.00 0.00 0.00 177.39 176.27 2jhe n GLN 167 N -0.84 -0.55 0.01 1.47 0.00 -1.20 -4.92 117.38 111.35 2jhe n GLN 167 Ca 0.04 0.39 0.12 0.00 0.00 0.00 0.00 57.00 57.55 2jhe n GLN 167 Cb 0.38 -4.27 0.20 0.00 0.00 0.00 0.00 30.24 26.55 2jhe n GLN 167 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2jhe n ASP 168 N 0.68 0.56 0.00 2.61 3.85 -0.65 -4.91 116.55 118.69 2jhe n ASP 168 Ca -0.08 -0.27 0.00 0.00 -0.71 0.00 0.00 54.79 53.73 2jhe n ASP 168 Cb 0.52 0.34 0.00 0.00 -1.35 0.00 0.00 41.12 40.63 2jhe n ASP 168 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2jhe n GLU 169 N -1.59 0.00 -3.63 0.11 0.00 -1.21 -4.09 120.64 110.23 2jhe n GLU 169 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.13 2jhe n GLU 169 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.72 2jhe n GLU 169 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2jhe s ASN 170 N -4.00 -0.37 -0.13 -1.84 0.02 -1.18 -2.53 114.94 104.92 2jhe s ASN 170 Ca 0.00 0.68 -0.07 0.00 -1.02 0.00 0.00 52.86 52.46 2jhe s ASN 170 Cb 0.00 0.69 -0.04 0.00 0.02 0.00 0.00 41.25 41.92 2jhe s ASN 170 CO 0.00 -0.14 0.11 1.51 0.02 0.00 0.00 177.10 178.60 2jhe s ASP 171 N 0.06 6.12 -0.17 -1.22 1.47 0.14 -1.87 116.67 121.20 2jhe s ASP 171 Ca 0.04 0.36 -0.02 0.00 1.18 0.00 0.00 52.55 54.10 2jhe s ASP 171 Cb -0.05 -1.96 -0.02 0.00 -0.34 0.00 0.00 42.92 40.55 2jhe s ASP 171 CO -0.07 0.36 -0.08 -1.10 0.68 0.00 0.00 175.17 174.96 2jhe s GLN 172 N -0.74 3.45 -0.19 2.11 -0.21 0.46 -1.25 119.66 123.29 2jhe s GLN 172 Ca 0.13 -0.63 -0.02 0.00 0.02 0.00 0.00 55.36 54.86 2jhe s GLN 172 Cb -0.12 -2.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 2jhe s GLN 172 CO 0.03 0.08 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.61 2jhe s HIS 173 N 0.74 2.90 -0.13 0.91 2.46 0.30 -0.75 115.29 121.72 2jhe s HIS 173 Ca -0.04 -0.92 -0.01 0.00 0.47 0.00 0.00 55.06 54.57 2jhe s HIS 173 Cb -0.15 -2.00 -0.02 0.00 -0.13 0.00 0.00 32.58 30.28 2jhe s HIS 173 CO 0.02 -0.47 -0.11 0.14 -2.47 0.00 0.00 174.74 171.85 2jhe s VAL 174 N 1.10 3.25 -0.22 0.89 -7.23 -0.39 -0.29 120.40 117.50 2jhe s VAL 174 Ca 0.01 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2jhe s VAL 174 Cb -0.15 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.44 2jhe s VAL 174 CO -0.02 0.52 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.97 2jhe s LEU 175 N 0.30 2.82 -0.13 1.32 2.96 0.96 -4.05 118.68 122.86 2jhe s LEU 175 Ca -0.08 -0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 2jhe s LEU 175 Cb -0.15 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2jhe s LEU 175 CO 0.05 -0.07 1.80 0.28 -1.32 0.00 0.00 176.35 177.09 2jhe s THR 176 N 1.33 3.41 0.16 3.68 -1.32 -1.26 -0.34 115.64 121.30 2jhe s THR 176 Ca 0.02 0.48 -0.12 0.00 -1.21 0.00 0.00 61.69 60.86 2jhe s THR 176 Cb -0.15 -3.40 0.17 0.00 -1.51 0.00 0.00 72.50 67.61 2jhe s THR 176 CO -0.07 -0.14 1.08 0.00 -2.21 0.00 0.00 174.62 173.28 2jhe n ALA 178 N 8.55 -0.08 -0.04 11.08 0.00 -1.05 -1.39 120.51 137.57 2jhe n ALA 178 Ca 0.21 0.69 -0.12 0.00 0.00 0.00 0.00 53.44 54.22 2jhe n ALA 178 Cb 0.44 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 2jhe n ALA 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jhe h VAL 179 N 0.00 1.21 -0.14 0.00 2.07 -1.90 -2.55 116.25 114.95 2jhe h VAL 179 Ca 0.24 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2jhe h VAL 179 Cb 0.42 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2jhe h VAL 179 CO -0.69 0.20 0.04 0.58 0.02 0.00 0.00 177.57 177.72 2jhe h VAL 180 N 0.02 0.96 -0.48 2.57 2.07 -1.91 -2.27 116.25 117.21 2jhe h VAL 180 Ca 0.04 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.63 2jhe h VAL 180 Cb 0.29 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 2jhe h VAL 180 CO 0.00 0.02 -0.21 0.24 0.02 0.00 0.00 177.57 177.64 2jhe h MET 181 N 0.10 -0.10 -0.25 1.57 2.86 -1.15 0.25 114.93 118.21 2jhe h MET 181 Ca 0.06 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2jhe h MET 181 Cb 0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2jhe h MET 181 CO -0.07 -0.07 -0.32 -0.07 1.06 0.00 0.00 176.91 177.44 2jhe h LEU 182 N -0.11 0.53 -0.46 1.22 4.07 -1.32 0.20 115.31 119.45 2jhe h LEU 182 Ca 0.23 -0.21 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2jhe h LEU 182 Cb 0.46 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 2jhe h LEU 182 CO -0.55 0.83 0.09 -0.09 -1.08 0.00 0.00 178.44 177.64 2jhe h ARG 183 N 0.44 0.74 0.07 1.13 2.43 -0.79 -1.27 114.38 117.14 2jhe h ARG 183 Ca 0.05 -0.19 -0.27 0.00 -0.81 0.00 0.00 59.98 58.76 2jhe h ARG 183 Cb 0.78 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2jhe h ARG 183 CO 0.06 0.75 -1.36 0.77 -1.51 0.00 0.00 179.97 178.68 2jhe h SER 184 N 0.61 0.24 -0.82 -3.80 0.02 -0.24 -3.04 113.55 106.52 2jhe h SER 184 Ca 0.14 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2jhe h SER 184 Cb 0.36 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2jhe h SER 184 CO 0.01 1.25 0.48 0.71 -1.14 0.00 0.00 176.83 178.13 2jhe h THR 185 N 0.04 1.23 -0.57 -2.27 1.35 -0.67 -3.06 112.91 108.97 2jhe h THR 185 Ca -0.17 -0.54 0.11 0.00 -0.55 0.00 0.00 66.41 65.27 2jhe h THR 185 Cb 1.94 0.11 -0.11 0.00 -1.73 0.00 0.00 68.15 68.36 2jhe h THR 185 CO 0.15 0.25 -0.21 0.40 -0.25 0.00 0.00 175.52 175.86 2jhe h ILE 186 N 1.13 0.33 -0.97 6.82 2.04 -1.14 -1.30 117.51 124.41 2jhe h ILE 186 Ca 0.29 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.48 2jhe h ILE 186 Cb -0.02 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.30 2jhe h ILE 186 CO -0.05 0.00 0.63 -2.11 0.00 0.00 0.00 178.15 176.62 2jhe n ARG 187 N -5.42 -0.02 0.00 2.37 0.00 -1.15 -5.11 116.66 107.31 2jhe n ARG 187 Ca 0.06 0.84 0.05 0.00 -0.00 0.00 0.00 57.85 58.79 2jhe n ARG 187 Cb 0.33 -1.67 0.28 0.00 -0.00 0.00 0.00 32.46 31.39 2jhe n ARG 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63