#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrh n SER 2 N 0.00 -4.77 -2.74 1.69 7.64 -1.26 -5.02 113.62 109.15 2jrh n SER 2 Ca 0.00 0.74 -0.02 0.00 1.01 0.00 0.00 58.87 60.61 2jrh n SER 2 Cb 0.00 -2.82 -0.01 0.00 -1.01 0.00 0.00 64.21 60.37 2jrh n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jrh n ASP 3 N -3.45 -5.69 -4.49 6.43 9.92 -1.26 -4.95 116.55 113.07 2jrh n ASP 3 Ca -0.04 1.31 -0.34 0.00 -0.53 0.00 0.00 54.79 55.19 2jrh n ASP 3 Cb 0.40 -4.85 -0.12 0.00 -0.64 0.00 0.00 41.12 35.91 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jrh s VAL 4 N -1.24 3.97 -0.38 2.53 1.01 0.02 -4.89 120.40 121.42 2jrh s VAL 4 Ca -0.08 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2jrh s VAL 4 Cb 0.01 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2jrh s VAL 4 CO 0.69 0.47 0.69 -0.13 0.00 0.00 0.00 175.10 176.83 2jrh s ARG 5 N 0.52 3.59 -0.15 2.72 0.52 -1.26 -1.63 118.95 123.26 2jrh s ARG 5 Ca -0.02 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.14 2jrh s ARG 5 Cb -0.14 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 2jrh s ARG 5 CO 0.02 -0.86 0.07 0.42 0.02 0.00 0.00 175.30 174.98 2jrh s ILE 6 N 2.90 4.88 -0.16 1.52 1.01 -0.20 -3.78 121.20 127.37 2jrh s ILE 6 Ca 0.26 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 2jrh s ILE 6 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2jrh s ILE 6 CO 0.17 0.52 0.39 -0.75 0.00 0.00 0.00 174.94 175.27 2jrh s LYS 7 N -0.15 4.26 -0.10 2.79 2.47 -1.16 -2.00 119.74 125.86 2jrh s LYS 7 Ca 0.08 0.25 0.03 0.00 -1.56 0.00 0.00 55.97 54.76 2jrh s LYS 7 Cb -0.12 -3.46 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 2jrh s LYS 7 CO 0.01 0.12 -0.19 -0.06 0.16 0.00 0.00 175.35 175.40 2jrh s PHE 8 N 0.79 2.65 -0.16 4.03 0.08 -0.24 -3.71 117.98 121.42 2jrh s PHE 8 Ca 0.20 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.55 2jrh s PHE 8 Cb -0.14 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2jrh s PHE 8 CO 0.07 -0.22 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.56 2jrh s GLU 9 N 0.12 3.06 -0.14 0.44 2.02 -1.24 -1.35 118.70 121.61 2jrh s GLU 9 Ca -0.09 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.07 2jrh s GLU 9 Cb -0.15 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.58 2jrh s GLU 9 CO 0.06 -0.07 -0.07 -1.58 0.02 0.00 0.00 175.26 173.62 2jrh s HIS 10 N 0.98 1.57 -1.54 1.61 2.46 -0.64 -3.05 115.29 116.68 2jrh s HIS 10 Ca -0.03 -0.88 -0.04 0.00 0.47 0.00 0.00 55.06 54.58 2jrh s HIS 10 Cb -0.15 -1.27 0.01 0.00 -0.13 0.00 0.00 32.58 31.05 2jrh s HIS 10 CO -0.05 -0.56 0.41 -1.71 -2.47 0.00 0.00 174.74 170.37 2jrh n ASN 11 N 4.92 -5.62 0.00 9.88 4.05 -1.26 -1.48 115.26 125.74 2jrh n ASN 11 Ca -0.12 -0.20 0.00 0.00 0.45 0.00 0.00 54.58 54.70 2jrh n ASN 11 Cb 0.49 -4.60 0.00 0.00 1.23 0.00 0.00 39.78 36.90 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jrh n GLY 12 N -1.32 2.91 3.76 8.20 0.00 -1.26 -5.04 105.19 112.44 2jrh n GLY 12 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2jrh n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrh s GLU 13 N -0.07 3.17 -0.06 1.61 2.12 -0.55 -5.04 118.70 119.88 2jrh s GLU 13 Ca 0.00 1.93 0.06 0.00 0.36 0.00 0.00 54.97 57.32 2jrh s GLU 13 Cb 0.00 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.27 2jrh s GLU 13 CO 0.00 -1.08 -0.24 1.03 -0.54 0.00 0.00 175.26 174.43 2jrh s ARG 14 N -3.09 2.58 0.01 4.30 0.52 -1.26 -1.62 118.95 120.39 2jrh s ARG 14 Ca 0.73 -0.89 -0.05 0.00 -0.52 0.00 0.00 55.73 55.01 2jrh s ARG 14 Cb -0.33 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 2jrh s ARG 14 CO 0.37 0.35 0.08 1.03 0.02 0.00 0.00 175.30 177.15 2jrh s ARG 15 N -0.08 0.41 -0.10 3.54 0.52 -0.46 -5.02 118.95 117.76 2jrh s ARG 15 Ca -0.06 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2jrh s ARG 15 Cb -0.14 0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 2jrh s ARG 15 CO 0.04 -0.09 -0.14 0.42 0.02 0.00 0.00 175.30 175.55 2jrh s ILE 16 N -1.36 3.00 -0.03 1.52 1.01 -1.26 -1.08 121.20 123.00 2jrh s ILE 16 Ca -0.15 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2jrh s ILE 16 Cb -0.08 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2jrh s ILE 16 CO 0.01 0.55 -0.00 -0.63 0.00 0.00 0.00 174.94 174.86 2jrh s ILE 17 N -0.06 0.20 0.03 2.92 1.01 -0.85 -5.02 121.20 119.45 2jrh s ILE 17 Ca -0.03 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 2jrh s ILE 17 Cb -0.14 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.99 2jrh s ILE 17 CO 0.04 0.14 0.44 0.00 0.00 0.00 0.00 174.94 175.56 2jrh s ALA 18 N 0.91 3.68 -0.02 9.38 0.00 -1.26 -1.04 121.76 133.41 2jrh s ALA 18 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2jrh s ALA 18 Cb -0.13 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2jrh s ALA 18 CO -0.01 0.49 -0.01 -0.06 0.00 0.00 0.00 175.76 176.16 2jrh s PHE 19 N -1.17 0.34 -0.14 0.00 0.08 -0.65 -4.98 117.98 111.46 2jrh s PHE 19 Ca 0.27 -0.03 -0.25 0.00 0.12 0.00 0.00 56.93 57.04 2jrh s PHE 19 Cb -0.16 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.90 2jrh s PHE 19 CO 0.15 -0.10 0.81 -1.12 -0.10 0.00 0.00 175.22 174.87 2jrh s SER 20 N 0.73 6.99 0.34 1.36 0.01 -1.26 -0.80 113.70 121.07 2jrh s SER 20 Ca -0.07 1.21 -0.08 0.00 1.31 0.00 0.00 55.95 58.32 2jrh s SER 20 Cb -0.11 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 2jrh s SER 20 CO -0.01 -0.33 0.65 -0.13 0.41 0.00 0.00 173.24 173.83 2jrh s ARG 21 N 1.79 3.70 -0.13 12.44 0.52 -1.26 -3.46 118.95 132.54 2jrh s ARG 21 Ca 0.39 0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.53 2jrh s ARG 21 Cb -0.17 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2jrh s ARG 21 CO 0.15 0.10 1.28 -2.14 0.02 0.00 0.00 175.30 174.71 2jrh s PRO 22 N -3.68 4.25 -0.18 3.54 0.02 -1.26 -4.80 135.00 132.89 2jrh s PRO 22 Ca 0.47 1.71 -0.08 0.00 0.02 0.00 0.00 61.00 63.12 2jrh s PRO 22 Cb -0.10 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.63 2jrh s PRO 22 CO 0.30 -0.67 0.10 0.54 -0.33 0.00 0.00 177.00 176.94 2jrh s VAL 23 N 3.28 5.13 0.34 3.83 0.11 -1.22 -5.09 120.40 126.77 2jrh s VAL 23 Ca 0.56 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.44 2jrh s VAL 23 Cb -0.23 -3.31 -0.10 0.00 -1.53 0.00 0.00 36.38 31.21 2jrh s VAL 23 CO 0.17 0.47 0.98 -0.54 -3.33 0.00 0.00 175.10 172.86 2jrh s LYS 24 N 0.17 4.47 0.28 1.54 -0.14 -1.26 -4.96 119.74 119.85 2jrh s LYS 24 Ca 0.07 1.41 -0.01 0.00 -1.36 0.00 0.00 55.97 56.08 2jrh s LYS 24 Cb -0.12 -2.75 0.48 0.00 -1.68 0.00 0.00 37.83 33.76 2jrh s LYS 24 CO -0.00 0.16 1.88 -0.92 -0.76 0.00 0.00 175.35 175.70 2jrh h TYR 25 N 3.02 1.15 -0.50 3.18 3.20 -1.98 -1.16 116.97 123.88 2jrh h TYR 25 Ca -0.47 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 2jrh h TYR 25 Cb 1.20 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2jrh h TYR 25 CO 0.60 0.57 0.16 1.49 -1.64 0.00 0.00 178.16 179.34 2jrh h GLU 26 N 1.10 0.73 -0.30 1.82 4.81 -1.99 -1.44 114.58 119.31 2jrh h GLU 26 Ca 0.43 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 2jrh h GLU 26 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2jrh h GLU 26 CO -0.18 0.64 -0.11 0.22 -0.73 0.00 0.00 179.01 178.84 2jrh h ASP 27 N 0.72 0.61 -0.20 1.04 1.82 -1.62 0.14 116.42 118.93 2jrh h ASP 27 Ca 0.17 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 2jrh h ASP 27 Cb 0.21 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 2jrh h ASP 27 CO -0.01 0.86 0.07 0.58 -1.61 0.00 0.00 179.24 179.13 2jrh h VAL 28 N 0.36 1.18 -0.30 2.25 2.07 -1.16 -2.78 116.25 117.88 2jrh h VAL 28 Ca 0.07 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 2jrh h VAL 28 Cb 0.62 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2jrh h VAL 28 CO 0.04 0.18 -0.20 1.05 0.02 0.00 0.00 177.57 178.66 2jrh h GLU 29 N 0.16 0.54 -0.56 1.57 4.11 -1.28 -2.50 114.58 116.62 2jrh h GLU 29 Ca 0.07 -0.19 0.06 0.00 0.07 0.00 0.00 59.36 59.37 2jrh h GLU 29 Cb 0.22 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2jrh h GLU 29 CO -0.00 0.71 0.27 1.25 0.07 0.00 0.00 179.01 181.31 2jrh h HIS 30 N 0.49 0.50 -0.04 2.06 2.76 -0.77 0.50 115.15 120.65 2jrh h HIS 30 Ca 0.08 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2jrh h HIS 30 Cb 0.61 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2jrh h HIS 30 CO 0.02 0.22 -0.02 0.87 -1.30 0.00 0.00 177.93 177.73 2jrh h LYS 31 N 0.52 0.07 -0.87 5.26 1.79 -1.35 -1.77 116.57 120.23 2jrh h LYS 31 Ca 0.26 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2jrh h LYS 31 Cb 0.19 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 2jrh h LYS 31 CO -0.19 0.46 0.50 0.28 -1.08 0.00 0.00 179.45 179.42 2jrh h VAL 32 N -0.32 1.25 -0.50 0.50 2.07 -1.18 0.14 116.25 118.21 2jrh h VAL 32 Ca 0.01 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2jrh h VAL 32 Cb 0.44 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2jrh h VAL 32 CO 0.01 0.27 -0.02 0.74 0.02 0.00 0.00 177.57 178.58 2jrh h THR 33 N 1.20 1.26 -0.13 2.57 2.02 -0.00 -0.53 112.91 119.30 2jrh h THR 33 Ca 0.31 -1.11 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 2jrh h THR 33 Cb -0.01 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2jrh h THR 33 CO -0.05 0.39 -0.45 0.74 0.37 0.00 0.00 175.52 176.52 2jrh h THR 34 N 0.75 1.35 -0.36 3.16 2.02 -1.03 0.44 112.91 119.24 2jrh h THR 34 Ca 0.14 -1.74 -0.06 0.00 0.77 0.00 0.00 66.41 65.52 2jrh h THR 34 Cb 0.55 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2jrh h THR 34 CO 0.03 0.53 -0.00 0.58 0.37 0.00 0.00 175.52 177.02 2jrh h VAL 35 N 0.16 1.26 -0.61 3.16 2.07 -0.72 -3.19 116.25 118.39 2jrh h VAL 35 Ca -0.02 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2jrh h VAL 35 Cb 1.08 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2jrh h VAL 35 CO 0.10 0.33 0.00 0.49 0.02 0.00 0.00 177.57 178.51 2jrh n PHE 36 N -4.48 0.91 -0.66 1.57 3.72 -0.21 -5.09 117.46 113.21 2jrh n PHE 36 Ca -0.02 -0.52 0.09 0.00 -0.05 0.00 0.00 57.45 56.95 2jrh n PHE 36 Cb 0.28 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2jrh n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jrh n GLY 37 N 1.22 -2.19 3.46 1.37 0.00 0.15 -4.98 105.19 104.22 2jrh n GLY 37 Ca 0.21 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 2jrh n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jrh s GLN 38 N -2.47 1.64 0.33 1.61 -2.07 -1.22 -4.44 119.66 113.05 2jrh s GLN 38 Ca 0.00 -1.73 -0.09 0.00 -1.82 0.00 0.00 55.36 51.73 2jrh s GLN 38 Cb 0.00 -1.75 -0.06 0.00 -1.09 0.00 0.00 33.01 30.11 2jrh s GLN 38 CO 0.00 0.33 0.66 -1.25 -1.32 0.00 0.00 175.29 173.71 2jrh s PRO 39 N -3.40 3.75 -0.02 9.60 0.04 -1.26 -4.95 135.00 138.76 2jrh s PRO 39 Ca 0.28 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2jrh s PRO 39 Cb -0.05 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2jrh s PRO 39 CO 0.14 0.12 -0.00 -0.51 0.04 0.00 0.00 177.00 176.79 2jrh s LEU 40 N -3.53 1.43 -0.13 -3.56 1.43 -1.26 -2.63 118.68 110.43 2jrh s LEU 40 Ca 0.48 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2jrh s LEU 40 Cb -0.11 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 2jrh s LEU 40 CO 0.28 -0.06 0.02 -0.62 0.23 0.00 0.00 176.35 176.20 2jrh s ASP 41 N 0.67 5.37 -0.55 2.29 -1.08 0.13 -4.94 116.67 118.56 2jrh s ASP 41 Ca -0.06 0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 51.87 2jrh s ASP 41 Cb -0.09 -1.74 0.08 0.00 -1.46 0.00 0.00 42.92 39.71 2jrh s ASP 41 CO -0.01 0.27 0.68 -0.76 0.52 0.00 0.00 175.17 175.87 2jrh s LEU 42 N -0.25 5.14 -0.26 -1.34 1.43 -1.26 -1.36 118.68 120.79 2jrh s LEU 42 Ca 0.07 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 2jrh s LEU 42 Cb -0.12 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2jrh s LEU 42 CO 0.02 -1.02 0.15 -2.28 0.23 0.00 0.00 176.35 173.45 2jrh s HIS 43 N 2.72 3.22 -0.18 0.29 2.46 -0.43 -2.99 115.29 120.38 2jrh s HIS 43 Ca 0.14 0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.63 2jrh s HIS 43 Cb -0.21 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 2jrh s HIS 43 CO 0.09 -0.11 0.06 -0.47 -2.47 0.00 0.00 174.74 171.84 2jrh s TYR 44 N 1.43 3.26 -0.16 3.88 6.14 0.62 -1.27 117.35 131.24 2jrh s TYR 44 Ca 0.07 0.08 0.00 0.00 0.64 0.00 0.00 57.07 57.86 2jrh s TYR 44 Cb -0.15 -2.06 0.00 0.00 0.42 0.00 0.00 41.96 40.17 2jrh s TYR 44 CO 0.07 0.18 -0.16 -1.64 0.64 0.00 0.00 175.55 174.64 2jrh s MET 45 N 0.29 3.16 -0.10 4.97 -1.94 -1.25 -0.30 119.30 124.12 2jrh s MET 45 Ca 0.03 -0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 53.21 2jrh s MET 45 Cb -0.12 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 2jrh s MET 45 CO 0.00 -0.04 -0.07 -0.97 -0.01 0.00 0.00 175.02 173.93 2jrh h ASN 46 N 7.47 0.00 0.00 3.03 -0.73 -1.89 -3.47 115.58 119.99 2jrh h ASN 46 Ca -0.35 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.82 2jrh h ASN 46 Cb 1.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.77 2jrh h ASN 46 CO 0.58 0.50 0.00 -3.20 -0.37 0.00 0.00 177.43 174.94 2jrh n ASN 47 N -4.21 -2.09 -0.00 1.15 5.15 -1.26 -4.97 115.26 109.03 2jrh n ASN 47 Ca -0.03 0.51 0.04 0.00 -0.60 0.00 0.00 54.58 54.50 2jrh n ASN 47 Cb 0.10 2.16 -0.05 0.00 -0.53 0.00 0.00 39.78 41.46 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jrh n GLU 48 N -2.94 3.06 -4.94 1.20 -0.58 -1.26 -5.01 120.64 110.16 2jrh n GLU 48 Ca 0.00 -0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.42 2jrh n GLU 48 Cb 0.00 -0.97 -0.15 0.00 -0.57 0.00 0.00 31.44 29.75 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jrh s LEU 49 N -2.76 2.15 -0.24 -4.62 2.96 -1.26 -5.12 118.68 109.79 2jrh s LEU 49 Ca 0.01 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 2jrh s LEU 49 Cb 0.05 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2jrh s LEU 49 CO 0.32 0.26 0.14 -0.44 -1.32 0.00 0.00 176.35 175.31 2jrh s SER 50 N -1.14 5.98 -0.08 3.68 0.01 -1.26 -2.89 113.70 117.99 2jrh s SER 50 Ca 0.11 0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.49 2jrh s SER 50 Cb -0.10 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2jrh s SER 50 CO 0.02 0.06 -0.22 -0.63 0.41 0.00 0.00 173.24 172.87 2jrh s ILE 51 N 1.09 2.30 -0.15 1.44 1.01 0.59 -5.02 121.20 122.45 2jrh s ILE 51 Ca 0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2jrh s ILE 51 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2jrh s ILE 51 CO 0.05 0.56 0.07 -0.22 0.00 0.00 0.00 174.94 175.40 2jrh s LEU 52 N -0.00 3.92 -1.13 2.97 2.96 -1.26 -0.28 118.68 125.85 2jrh s LEU 52 Ca -0.07 0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 2jrh s LEU 52 Cb -0.15 -1.96 0.11 0.00 0.50 0.00 0.00 46.19 44.69 2jrh s LEU 52 CO 0.05 0.27 1.46 -0.76 -1.32 0.00 0.00 176.35 176.05 2jrh s LEU 53 N -0.24 4.39 -0.08 -0.68 1.02 -1.16 -4.73 118.68 117.19 2jrh s LEU 53 Ca 0.08 -2.31 0.03 0.00 0.02 0.00 0.00 54.13 51.95 2jrh s LEU 53 Cb -0.12 -2.49 -0.25 0.00 0.02 0.00 0.00 46.19 43.36 2jrh s LEU 53 CO 0.01 -1.09 0.51 0.29 0.02 0.00 0.00 176.35 176.09 2jrh n LYS 54 N 7.30 0.70 -4.45 1.70 5.02 -1.26 -4.85 118.16 122.31 2jrh n LYS 54 Ca 0.37 0.28 -0.23 0.00 -2.02 0.00 0.00 58.31 56.70 2jrh n LYS 54 Cb 0.47 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2jrh s ASN 55 N -6.57 3.45 0.42 4.39 0.01 -1.26 -5.03 114.94 110.33 2jrh s ASN 55 Ca -0.14 -1.02 0.08 0.00 -0.71 0.00 0.00 52.86 51.07 2jrh s ASN 55 Cb 0.07 -0.28 0.88 0.00 0.41 0.00 0.00 41.25 42.34 2jrh s ASN 55 CO 0.80 0.02 2.06 -0.61 -1.51 0.00 0.00 177.10 177.86 2jrh h GLN 56 N 2.36 0.50 -0.95 -0.60 -0.00 -2.01 -2.17 115.11 112.24 2jrh h GLN 56 Ca -0.40 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.27 2jrh h GLN 56 Cb 1.25 -0.11 -0.06 0.00 0.00 0.00 0.00 27.48 28.56 2jrh h GLN 56 CO 0.60 0.34 0.61 0.22 0.00 0.00 0.00 178.83 180.59 2jrh h ASP 57 N 0.51 0.99 -0.70 -0.69 1.82 -1.99 -0.36 116.42 115.99 2jrh h ASP 57 Ca 0.14 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2jrh h ASP 57 Cb -0.04 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.73 2jrh h ASP 57 CO -0.03 0.64 0.44 0.44 -1.61 0.00 0.00 179.24 179.12 2jrh h ASP 58 N 1.13 0.84 -0.47 2.28 5.19 -1.78 -1.27 116.42 122.34 2jrh h ASP 58 Ca 0.41 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.63 2jrh h ASP 58 Cb 0.13 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2jrh h ASP 58 CO -0.16 0.64 -0.24 0.25 -3.12 0.00 0.00 179.24 176.61 2jrh h LEU 59 N 0.96 1.03 -0.61 1.55 5.85 -1.36 -2.01 115.31 120.71 2jrh h LEU 59 Ca 0.25 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2jrh h LEU 59 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 2jrh h LEU 59 CO -0.05 1.21 0.35 -0.78 -0.34 0.00 0.00 178.44 178.83 2jrh h ASP 60 N 0.85 0.75 -0.14 1.25 3.58 -0.73 -2.01 116.42 119.97 2jrh h ASP 60 Ca 0.10 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 2jrh h ASP 60 Cb 0.83 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2jrh h ASP 60 CO 0.07 0.62 -0.26 0.50 -2.88 0.00 0.00 179.24 177.29 2jrh h LYS 61 N 0.83 0.59 -0.82 0.28 3.64 -1.19 -2.99 116.57 116.91 2jrh h LYS 61 Ca 0.22 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2jrh h LYS 61 Cb 0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2jrh h LYS 61 CO -0.04 0.79 0.38 0.00 -2.27 0.00 0.00 179.45 178.31 2jrh h ALA 62 N 1.21 1.07 -0.66 5.00 0.00 -0.90 -2.79 119.26 122.19 2jrh h ALA 62 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2jrh h ALA 62 Cb 0.71 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jrh h ALA 62 CO 0.05 0.65 0.19 0.82 0.00 0.00 0.00 179.25 180.97 2jrh h ILE 63 N 1.18 1.25 -1.00 0.00 2.04 -1.25 -2.68 117.51 117.05 2jrh h ILE 63 Ca 0.28 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 65.37 2jrh h ILE 63 Cb 0.15 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 2jrh h ILE 63 CO -0.03 0.34 0.63 -0.78 0.00 0.00 0.00 178.15 178.30 2jrh h ASP 64 N 0.96 0.93 -0.41 1.72 3.58 -1.36 0.19 116.42 122.03 2jrh h ASP 64 Ca 0.21 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 2jrh h ASP 64 Cb 0.31 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2jrh h ASP 64 CO -0.00 0.50 -0.14 0.40 -2.88 0.00 0.00 179.24 177.11 2jrh h ILE 65 N 1.00 1.28 -0.27 2.25 2.04 -1.37 -2.38 117.51 120.05 2jrh h ILE 65 Ca 0.49 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 2jrh h ILE 65 Cb 0.46 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2jrh h ILE 65 CO -0.26 0.42 0.03 0.25 0.00 0.00 0.00 178.15 178.60 2jrh h LEU 66 N 0.63 0.44 -1.05 1.44 5.85 -0.97 -2.90 115.31 118.77 2jrh h LEU 66 Ca 0.10 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2jrh h LEU 66 Cb 0.69 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2jrh h LEU 66 CO 0.05 0.61 0.64 -0.78 -0.34 0.00 0.00 178.44 178.62 2jrh h ASP 67 N 0.26 1.02 -0.33 1.25 1.82 -0.64 -1.42 116.42 118.38 2jrh h ASP 67 Ca 0.08 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2jrh h ASP 67 Cb 0.36 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 2jrh h ASP 67 CO 0.01 0.66 0.15 0.03 -1.61 0.00 0.00 179.24 178.47 2jrh h ARG 68 N 1.16 0.55 -6.01 0.28 2.47 -1.27 -3.38 114.38 108.17 2jrh h ARG 68 Ca 0.42 -0.07 -0.60 0.00 -1.26 0.00 0.00 59.98 58.47 2jrh h ARG 68 Cb 0.15 -0.10 -0.11 0.00 -1.65 0.00 0.00 29.97 28.25 2jrh h ARG 68 CO -0.16 0.46 0.67 0.45 0.56 0.00 0.00 179.97 181.96 2jrh s SER 69 N -6.70 6.34 0.32 7.04 0.15 -0.54 -4.89 113.70 115.44 2jrh s SER 69 Ca -0.08 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.35 2jrh s SER 69 Cb 0.16 -2.47 0.56 0.00 -1.71 0.00 0.00 66.02 62.57 2jrh s SER 69 CO 0.75 -1.32 1.77 0.77 1.20 0.00 0.00 173.24 176.41 2jrh h SER 70 N 9.41 0.23 -0.37 5.45 4.64 -1.80 -3.05 113.55 128.06 2jrh h SER 70 Ca -0.26 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.90 2jrh h SER 70 Cb 1.07 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2jrh h SER 70 CO 1.12 0.55 -0.08 -1.28 -0.87 0.00 0.00 176.83 176.27 2jrh h SER 71 N 0.20 0.72 -3.16 4.97 0.87 -1.92 -3.42 113.55 111.80 2jrh h SER 71 Ca 0.03 -0.36 -0.58 0.00 -1.23 0.00 0.00 61.79 59.65 2jrh h SER 71 Cb 0.68 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2jrh h SER 71 CO 0.05 0.91 0.67 -0.32 -0.53 0.00 0.00 176.83 177.61 2jrh s MET 72 N -4.80 4.27 -0.12 2.24 0.00 -1.15 -4.90 119.30 114.83 2jrh s MET 72 Ca -0.13 1.25 0.01 0.00 0.00 0.00 0.00 55.69 56.82 2jrh s MET 72 Cb 0.10 -3.62 -0.08 0.00 0.00 0.00 0.00 34.83 31.22 2jrh s MET 72 CO 0.81 -0.54 -0.11 0.36 0.00 0.00 0.00 175.02 175.53 2jrh n LYS 73 N 6.00 0.31 -2.68 4.11 2.85 -1.26 -4.81 118.16 122.68 2jrh n LYS 73 Ca 0.10 0.07 -0.23 0.00 -1.05 0.00 0.00 58.31 57.20 2jrh n LYS 73 Cb 0.47 -1.25 0.03 0.00 -0.65 0.00 0.00 35.03 33.63 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2jrh s SER 74 N -5.21 5.45 -0.15 -5.58 1.04 -1.26 -4.70 113.70 103.28 2jrh s SER 74 Ca -0.17 0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.44 2jrh s SER 74 Cb 0.04 -1.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 2jrh s SER 74 CO 0.29 -1.03 -0.01 -0.76 0.98 0.00 0.00 173.24 172.70 2jrh s LEU 75 N -4.77 3.42 -1.00 2.42 1.43 -1.25 -4.98 118.68 113.95 2jrh s LEU 75 Ca 0.54 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 2jrh s LEU 75 Cb -0.10 -1.83 0.16 0.00 0.03 0.00 0.00 46.19 44.45 2jrh s LEU 75 CO 0.40 0.20 1.17 -0.60 0.23 0.00 0.00 176.35 177.74 2jrh s ARG 76 N 0.22 3.77 -0.12 1.70 3.52 -1.26 -3.00 118.95 123.78 2jrh s ARG 76 Ca -0.00 -2.15 0.02 0.00 -0.13 0.00 0.00 55.73 53.47 2jrh s ARG 76 Cb -0.13 -4.88 -0.00 0.00 -1.56 0.00 0.00 34.95 28.37 2jrh s ARG 76 CO 0.02 -1.68 -0.20 0.42 -0.81 0.00 0.00 175.30 173.05 2jrh s ILE 77 N 1.86 2.40 -0.24 4.11 1.01 -1.24 -3.96 121.20 125.14 2jrh s ILE 77 Ca 0.34 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2jrh s ILE 77 Cb -0.05 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.47 2jrh s ILE 77 CO -0.07 0.55 -0.04 -0.22 0.00 0.00 0.00 174.94 175.16 2jrh s LEU 78 N 0.41 3.09 -0.18 2.97 2.96 -0.40 -3.64 118.68 123.90 2jrh s LEU 78 Ca -0.15 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.04 2jrh s LEU 78 Cb -0.17 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2jrh s LEU 78 CO 0.07 -0.08 0.17 -1.48 -1.32 0.00 0.00 176.35 173.71 2jrh s LEU 79 N 1.42 4.24 -0.08 -0.68 2.34 -1.17 -1.31 118.68 123.43 2jrh s LEU 79 Ca 0.03 0.33 0.04 0.00 0.06 0.00 0.00 54.13 54.59 2jrh s LEU 79 Cb -0.15 -2.16 0.00 0.00 -0.56 0.00 0.00 46.19 43.32 2jrh s LEU 79 CO -0.03 0.18 -0.20 -1.48 -1.06 0.00 0.00 176.35 173.76 2jrh s LEU 80 N 0.24 1.95 0.17 1.48 0.05 -0.46 -4.58 118.68 117.53 2jrh s LEU 80 Ca 0.11 -0.47 -0.30 0.00 0.05 0.00 0.00 54.13 53.52 2jrh s LEU 80 Cb -0.12 -1.21 -0.07 0.00 -2.05 0.00 0.00 46.19 42.74 2jrh s LEU 80 CO 0.00 0.13 1.09 -0.55 -0.55 0.00 0.00 176.35 176.46 2jrh s SER 81 N 0.39 7.29 0.00 1.48 0.15 -1.26 -0.69 113.70 121.06 2jrh s SER 81 Ca -0.16 2.06 0.17 0.00 0.70 0.00 0.00 55.95 58.71 2jrh s SER 81 Cb -0.17 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.17 2jrh s SER 81 CO 0.07 -0.20 1.46 1.67 1.20 0.00 0.00 173.24 177.43 2jrh n GLN 82 N 2.41 1.62 -1.56 5.44 -0.06 -1.08 -4.83 117.38 119.32 2jrh n GLN 82 Ca 0.03 -0.94 -0.13 0.00 -2.00 0.00 0.00 57.00 53.95 2jrh n GLN 82 Cb 0.46 -1.33 -0.08 0.00 -4.06 0.00 0.00 30.24 25.24 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2jrh n ASP 83 N 0.19 1.70 0.00 1.69 8.00 -1.26 -4.46 116.55 122.41 2jrh n ASP 83 Ca 0.14 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 54.09 2jrh n ASP 83 Cb 0.27 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.72 2jrh n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2jrh n ARG 84 N 8.68 0.00 -1.73 -1.24 0.63 -1.26 -5.14 116.66 116.61 2jrh n ARG 84 Ca 0.47 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2jrh n ARG 84 Cb 0.43 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 32.86 2jrh n ARG 84 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2jrh n ASN 85 N -2.92 -6.27 -4.88 6.15 2.85 -1.26 -5.02 115.26 103.91 2jrh n ASN 85 Ca 0.00 1.03 -0.30 0.00 -0.11 0.00 0.00 54.58 55.20 2jrh n ASN 85 Cb 0.45 -3.38 0.01 0.00 1.24 0.00 0.00 39.78 38.10 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2jrh s LEU 86 N -0.34 3.26 -0.08 1.20 2.96 -1.26 -5.04 118.68 119.39 2jrh s LEU 86 Ca 0.00 1.31 -0.07 0.00 -0.22 0.00 0.00 54.13 55.15 2jrh s LEU 86 Cb 0.00 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.33 2jrh s LEU 86 CO 0.00 -0.87 -0.16 -0.62 -1.32 0.00 0.00 176.35 173.38 2jrh n GLU 87 N -2.70 0.25 -4.08 1.98 -0.58 -1.26 -5.06 120.64 109.20 2jrh n GLU 87 Ca 0.05 0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.66 2jrh n GLU 87 Cb 0.54 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 30.43 2jrh n GLU 87 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2jrh s HIS 88 N -2.32 3.18 -0.24 -0.32 3.76 -1.26 -4.86 115.29 113.23 2jrh s HIS 88 Ca -0.15 -0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.71 2jrh s HIS 88 Cb 0.04 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.25 2jrh s HIS 88 CO 0.21 0.51 0.02 1.58 -0.85 0.00 0.00 174.74 176.22 2jrh n HIS 89 N -0.74 -3.00 0.00 1.40 -0.00 -1.26 -5.04 115.22 106.58 2jrh n HIS 89 Ca -0.08 1.32 0.00 0.00 0.46 0.00 0.00 57.72 59.42 2jrh n HIS 89 Cb 0.56 -3.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.03 2jrh n HIS 89 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrh n HIS 90 N 0.49 -0.76 -3.68 1.57 -0.00 -1.26 -5.07 115.22 106.51 2jrh n HIS 90 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2jrh n HIS 90 Cb 0.02 0.47 -0.01 0.00 -0.00 0.00 0.00 29.99 30.47 2jrh n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrh s HIS 91 N -1.95 3.29 0.13 4.41 -3.43 -1.26 -5.12 115.29 111.36 2jrh s HIS 91 Ca 0.00 -0.09 0.02 0.00 -0.80 0.00 0.00 55.06 54.19 2jrh s HIS 91 Cb 0.00 -1.81 -0.04 0.00 -1.43 0.00 0.00 32.58 29.31 2jrh s HIS 91 CO 0.00 0.19 0.26 -1.58 -2.00 0.00 0.00 174.74 171.61 2jrh s HIS 92 N -2.11 3.48 -2.00 0.38 2.46 -1.26 -5.24 115.29 111.00 2jrh s HIS 92 Ca 0.40 0.14 0.30 0.00 0.47 0.00 0.00 55.06 56.37 2jrh s HIS 92 Cb -0.09 -1.68 1.77 0.00 -0.13 0.00 0.00 32.58 32.44 2jrh s HIS 92 CO 0.31 0.53 2.10 1.58 -2.47 0.00 0.00 174.74 176.79