#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 -5.05 -2.11 1.69 7.64 -1.26 -5.05 113.62 109.48 2jrh n SER 2 Ca 0.00 0.49 -0.02 0.00 1.01 0.00 0.00 58.87 60.35 2jrh n SER 2 Cb 0.00 -2.65 -0.02 0.00 -1.01 0.00 0.00 64.21 60.53 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 -3.27 -4.06 -4.15 6.43 8.00 -1.25 -4.98 116.55 113.26 2jrh n ASP 3 Ca -0.01 1.14 -0.38 0.00 0.71 0.00 0.00 54.79 56.25 2jrh n ASP 3 Cb 0.39 -4.00 -0.11 0.00 -0.02 0.00 0.00 41.12 37.39 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jrh s VAL 4 N -0.45 3.59 -0.47 2.53 1.01 0.11 -4.92 120.40 121.81 2jrh s VAL 4 Ca -0.10 -1.95 -0.22 0.00 0.00 0.00 0.00 61.98 59.70 2jrh s VAL 4 Cb 0.01 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2jrh s VAL 4 CO 0.28 -0.71 0.77 -0.13 0.00 0.00 0.00 175.10 175.31 2jrh s ARG 5 N 1.22 3.33 -0.13 2.72 0.52 -1.26 -1.84 118.95 123.51 2jrh s ARG 5 Ca 0.07 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 54.96 2jrh s ARG 5 Cb -0.24 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 2jrh s ARG 5 CO -0.03 -1.18 0.01 0.42 0.02 0.00 0.00 175.30 174.54 2jrh s ILE 6 N 3.25 4.36 -0.25 1.52 1.01 -1.05 -3.36 121.20 126.68 2jrh s ILE 6 Ca 0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2jrh s ILE 6 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2jrh s ILE 6 CO 0.20 0.54 0.12 -0.54 0.00 0.00 0.00 174.94 175.26 2jrh s LYS 7 N -0.22 3.83 -0.09 2.79 -0.14 -0.95 -2.94 119.74 122.03 2jrh s LYS 7 Ca 0.06 -0.39 -0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2jrh s LYS 7 Cb -0.12 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.54 2jrh s LYS 7 CO 0.02 -0.12 -0.05 -0.06 -0.76 0.00 0.00 175.35 174.38 2jrh s PHE 8 N 1.52 3.00 -0.14 3.18 0.40 -0.38 -2.68 117.98 122.88 2jrh s PHE 8 Ca 0.06 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2jrh s PHE 8 Cb -0.15 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.62 2jrh s PHE 8 CO 0.06 0.31 -0.21 -2.00 0.70 0.00 0.00 175.22 174.08 2jrh s GLU 9 N -0.65 3.06 -0.05 0.44 2.12 -1.16 -0.48 118.70 121.99 2jrh s GLU 9 Ca 0.10 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 2jrh s GLU 9 Cb -0.12 -2.45 0.03 0.00 0.26 0.00 0.00 34.13 31.86 2jrh s GLU 9 CO 0.02 0.03 0.03 -1.58 -0.54 0.00 0.00 175.26 173.22 2jrh s HIS 10 N 0.73 0.32 -1.66 5.30 2.46 -0.10 -2.91 115.29 119.42 2jrh s HIS 10 Ca -0.09 0.07 -0.02 0.00 0.47 0.00 0.00 55.06 55.49 2jrh s HIS 10 Cb -0.16 -0.60 0.00 0.00 -0.13 0.00 0.00 32.58 31.70 2jrh s HIS 10 CO 0.00 -0.24 0.19 -1.71 -2.47 0.00 0.00 174.74 170.52 2jrh n ASN 11 N 5.12 -5.81 0.00 9.88 2.85 -1.26 -1.78 115.26 124.26 2jrh n ASN 11 Ca -0.07 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2jrh n ASN 11 Cb 0.50 -4.80 0.00 0.00 1.24 0.00 0.00 39.78 36.72 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jrh n GLY 12 N -1.16 2.58 3.76 8.20 0.00 -1.26 -5.02 105.19 112.29 2jrh n GLY 12 Ca -0.20 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 3.58 0.06 1.61 2.12 -0.73 -5.03 118.70 120.30 2jrh s GLU 13 Ca 0.00 1.92 0.06 0.00 0.36 0.00 0.00 54.97 57.31 2jrh s GLU 13 Cb 0.00 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 2jrh s GLU 13 CO 0.00 -0.74 -0.12 1.03 -0.54 0.00 0.00 175.26 174.89 2jrh s ARG 14 N -2.76 2.20 -0.02 4.30 0.52 -1.26 -0.93 118.95 121.01 2jrh s ARG 14 Ca 0.66 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 2jrh s ARG 14 Cb -0.32 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 32.84 2jrh s ARG 14 CO 0.39 0.54 -0.04 0.50 0.02 0.00 0.00 175.30 176.70 2jrh s ARG 15 N -1.80 0.49 -0.21 3.54 3.00 0.37 -4.99 118.95 119.35 2jrh s ARG 15 Ca 0.18 -0.13 -0.01 0.00 -1.00 0.00 0.00 55.73 54.78 2jrh s ARG 15 Cb -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 34.95 34.35 2jrh s ARG 15 CO 0.10 0.03 -0.12 0.42 0.00 0.00 0.00 175.30 175.73 2jrh s ILE 16 N 0.27 2.60 -0.03 4.11 1.09 -1.26 -1.25 121.20 126.72 2jrh s ILE 16 Ca -0.03 -0.88 0.04 0.00 -1.10 0.00 0.00 60.65 58.68 2jrh s ILE 16 Cb -0.06 -2.20 -0.00 0.00 -1.06 0.00 0.00 42.46 39.13 2jrh s ILE 16 CO -0.00 0.39 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.45 2jrh s ILE 17 N 1.34 1.23 0.12 2.92 1.01 -1.15 -5.04 121.20 121.62 2jrh s ILE 17 Ca 0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2jrh s ILE 17 Cb -0.15 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 41.20 2jrh s ILE 17 CO -0.08 0.36 0.53 0.00 0.00 0.00 0.00 174.94 175.75 2jrh s ALA 18 N -0.01 3.60 -0.04 9.38 0.00 -1.26 -2.52 121.76 130.90 2jrh s ALA 18 Ca -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2jrh s ALA 18 Cb -0.10 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.52 2jrh s ALA 18 CO 0.01 0.46 -0.10 -0.06 0.00 0.00 0.00 175.76 176.06 2jrh s PHE 19 N -1.38 1.15 -0.06 0.00 0.40 -0.77 -4.96 117.98 112.36 2jrh s PHE 19 Ca 0.35 -0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 56.15 2jrh s PHE 19 Cb -0.16 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 2jrh s PHE 19 CO 0.19 -0.16 0.56 0.45 0.70 0.00 0.00 175.22 176.95 2jrh s SER 20 N 0.37 6.86 0.52 1.36 0.15 -1.26 0.10 113.70 121.79 2jrh s SER 20 Ca -0.07 1.02 -0.15 0.00 0.70 0.00 0.00 55.95 57.45 2jrh s SER 20 Cb -0.11 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2jrh s SER 20 CO 0.01 0.04 0.97 -0.13 1.20 0.00 0.00 173.24 175.33 2jrh s ARG 21 N 0.23 3.87 -0.03 5.44 0.52 -1.26 -3.81 118.95 123.91 2jrh s ARG 21 Ca 0.30 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 2jrh s ARG 21 Cb -0.17 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 2jrh s ARG 21 CO 0.14 -0.29 1.32 -2.14 0.02 0.00 0.00 175.30 174.35 2jrh s PRO 22 N -4.23 4.30 0.33 3.54 0.02 -1.26 -4.97 135.00 132.73 2jrh s PRO 22 Ca 0.57 1.84 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 2jrh s PRO 22 Cb -0.10 -3.59 -0.09 0.00 0.02 0.00 0.00 34.50 30.73 2jrh s PRO 22 CO 0.35 -0.54 1.13 0.54 -0.33 0.00 0.00 177.00 178.15 2jrh s VAL 23 N 2.45 3.35 -0.12 3.83 0.11 -1.25 -5.04 120.40 123.73 2jrh s VAL 23 Ca 0.60 1.26 0.03 0.00 -2.93 0.00 0.00 61.98 60.94 2jrh s VAL 23 Cb -0.28 -3.76 -0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2jrh s VAL 23 CO 0.24 0.22 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.49 2jrh s LYS 24 N -1.83 3.12 0.35 1.54 -0.14 -1.26 -5.01 119.74 116.51 2jrh s LYS 24 Ca 0.50 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 54.33 2jrh s LYS 24 Cb -0.31 -2.42 0.72 0.00 -1.68 0.00 0.00 37.83 34.14 2jrh s LYS 24 CO 0.40 0.13 1.95 -0.92 -0.76 0.00 0.00 175.35 176.15 2jrh h TYR 25 N 6.90 0.80 -0.42 3.18 3.20 -1.96 -0.23 116.97 128.44 2jrh h TYR 25 Ca -0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 2jrh h TYR 25 Cb 1.22 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2jrh h TYR 25 CO 0.48 0.42 0.17 0.93 -1.64 0.00 0.00 178.16 178.51 2jrh h GLU 26 N 0.79 0.63 -0.25 1.82 3.07 -1.98 0.30 114.58 118.96 2jrh h GLU 26 Ca 0.33 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.99 2jrh h GLU 26 Cb 0.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2jrh h GLU 26 CO -0.11 0.59 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.47 2jrh h ASP 27 N 0.53 0.58 -0.15 1.42 3.32 -1.80 -1.22 116.42 119.10 2jrh h ASP 27 Ca 0.14 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2jrh h ASP 27 Cb 0.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jrh h ASP 27 CO -0.01 0.90 -0.01 0.58 -1.72 0.00 0.00 179.24 178.98 2jrh h VAL 28 N 0.26 1.26 -0.40 -1.35 2.07 -0.99 -0.90 116.25 116.21 2jrh h VAL 28 Ca 0.05 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2jrh h VAL 28 Cb 0.70 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jrh h VAL 28 CO 0.05 0.26 0.22 -0.08 0.02 0.00 0.00 177.57 178.04 2jrh h GLU 29 N 0.01 0.56 -0.40 1.57 4.81 -0.45 0.75 114.58 121.42 2jrh h GLU 29 Ca 0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jrh h GLU 29 Cb 0.39 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2jrh h GLU 29 CO 0.01 0.44 0.18 0.45 -0.73 0.00 0.00 179.01 179.37 2jrh h HIS 30 N 0.52 0.59 -0.05 0.92 3.86 -1.20 -0.58 115.15 119.21 2jrh h HIS 30 Ca 0.14 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2jrh h HIS 30 Cb 0.05 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 2jrh h HIS 30 CO -0.03 0.50 0.02 -0.22 0.86 0.00 0.00 177.93 179.07 2jrh h LYS 31 N 0.51 0.08 -0.70 2.45 3.64 -0.95 -1.87 116.57 119.73 2jrh h LYS 31 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2jrh h LYS 31 Cb 0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2jrh h LYS 31 CO -0.02 0.22 0.42 0.28 -2.27 0.00 0.00 179.45 178.08 2jrh h VAL 32 N -0.08 1.20 -0.84 2.00 2.07 -0.78 -0.31 116.25 119.51 2jrh h VAL 32 Ca 0.02 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2jrh h VAL 32 Cb 0.17 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2jrh h VAL 32 CO -0.00 0.21 0.43 0.74 0.02 0.00 0.00 177.57 178.97 2jrh h THR 33 N 0.95 1.25 -0.20 2.57 2.02 -1.01 -1.98 112.91 116.51 2jrh h THR 33 Ca 0.25 -0.67 -0.18 0.00 0.77 0.00 0.00 66.41 66.58 2jrh h THR 33 Cb -0.02 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2jrh h THR 33 CO -0.05 0.29 -0.56 0.74 0.37 0.00 0.00 175.52 176.31 2jrh h THR 34 N 1.18 1.30 0.25 3.16 2.02 -0.94 0.68 112.91 120.57 2jrh h THR 34 Ca 0.29 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.68 2jrh h THR 34 Cb 0.08 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2jrh h THR 34 CO -0.04 0.56 -0.12 0.58 0.37 0.00 0.00 175.52 176.87 2jrh h VAL 35 N 0.45 0.75 0.00 3.16 2.07 -0.87 -3.21 116.25 118.61 2jrh h VAL 35 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2jrh h VAL 35 Cb 1.18 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2jrh h VAL 35 CO 0.12 0.00 -1.08 -0.26 0.02 0.00 0.00 177.57 176.37 2jrh h PHE 36 N -0.34 0.00 0.00 1.57 0.04 -1.46 -3.51 116.94 113.24 2jrh h PHE 36 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2jrh h PHE 36 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2jrh h PHE 36 CO -0.06 0.32 0.00 0.41 -0.60 0.00 0.00 178.31 178.38 2jrh n GLY 37 N 1.28 -2.50 3.11 -1.45 0.00 0.24 -5.07 105.19 100.79 2jrh n GLY 37 Ca -0.04 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.61 0.66 0.14 1.61 1.03 -1.25 -4.20 119.66 117.03 2jrh s GLN 38 Ca 0.00 -1.10 -0.23 0.00 0.04 0.00 0.00 55.36 54.06 2jrh s GLN 38 Cb 0.00 -0.09 -0.08 0.00 0.03 0.00 0.00 33.01 32.88 2jrh s GLN 38 CO 0.00 -0.03 0.71 -1.25 -2.54 0.00 0.00 175.29 172.18 2jrh s PRO 39 N -3.12 4.44 -0.00 9.60 0.04 -1.26 -5.10 135.00 139.59 2jrh s PRO 39 Ca 0.03 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.09 2jrh s PRO 39 Cb 0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2jrh s PRO 39 CO -0.05 0.59 -0.03 -0.51 0.04 0.00 0.00 177.00 177.05 2jrh s LEU 40 N -1.17 1.93 -0.11 -3.56 1.43 -1.26 -3.11 118.68 112.83 2jrh s LEU 40 Ca 0.34 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2jrh s LEU 40 Cb -0.22 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 2jrh s LEU 40 CO 0.24 0.02 0.01 -1.81 0.23 0.00 0.00 176.35 175.04 2jrh s ASP 41 N 0.02 5.25 -0.48 2.29 1.11 -0.98 -4.96 116.67 118.92 2jrh s ASP 41 Ca 0.00 0.10 -0.24 0.00 0.18 0.00 0.00 52.55 52.59 2jrh s ASP 41 Cb -0.02 -1.61 0.03 0.00 1.07 0.00 0.00 42.92 42.39 2jrh s ASP 41 CO -0.00 0.32 0.89 -0.76 1.18 0.00 0.00 175.17 176.79 2jrh s LEU 42 N -0.50 4.12 -0.22 1.23 1.43 -1.26 -3.12 118.68 120.35 2jrh s LEU 42 Ca 0.09 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2jrh s LEU 42 Cb -0.12 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 2jrh s LEU 42 CO 0.02 -1.06 -0.05 -1.00 0.23 0.00 0.00 176.35 174.49 2jrh s HIS 43 N 3.66 2.95 -0.17 0.29 3.76 -0.93 -3.31 115.29 121.54 2jrh s HIS 43 Ca 0.33 -0.97 -0.06 0.00 -0.15 0.00 0.00 55.06 54.22 2jrh s HIS 43 Cb -0.11 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2jrh s HIS 43 CO 0.23 -0.56 0.01 -0.47 -0.85 0.00 0.00 174.74 173.11 2jrh s TYR 44 N 1.47 3.14 -0.09 1.40 6.14 -0.77 0.42 117.35 129.06 2jrh s TYR 44 Ca 0.06 -0.10 0.00 0.00 0.64 0.00 0.00 57.07 57.66 2jrh s TYR 44 Cb -0.14 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.24 2jrh s TYR 44 CO -0.04 0.07 -0.07 0.00 0.64 0.00 0.00 175.55 176.15 2jrh s MET 45 N 0.35 1.38 0.02 4.97 0.23 -1.12 0.69 119.30 125.80 2jrh s MET 45 Ca -0.00 -0.22 -0.17 0.00 -1.03 0.00 0.00 55.69 54.26 2jrh s MET 45 Cb -0.13 -1.40 -0.32 0.00 -1.53 0.00 0.00 34.83 31.44 2jrh s MET 45 CO 0.01 -0.20 1.01 -0.97 -2.03 0.00 0.00 175.02 172.84 2jrh h ASN 46 N 7.87 0.75 0.00 -1.18 -1.24 -1.80 -3.43 115.58 116.56 2jrh h ASN 46 Ca -0.29 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 55.82 2jrh h ASN 46 Cb 1.14 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2jrh h ASN 46 CO 0.41 1.58 0.00 -3.20 -1.29 0.00 0.00 177.43 174.92 2jrh n ASN 47 N -3.87 -0.62 -0.02 1.15 2.85 -1.26 -4.99 115.26 108.50 2jrh n ASN 47 Ca -0.15 0.20 0.01 0.00 -0.11 0.00 0.00 54.58 54.53 2jrh n ASN 47 Cb 0.98 0.82 -0.07 0.00 1.24 0.00 0.00 39.78 42.74 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jrh n GLU 48 N -2.34 1.35 -4.27 1.20 1.02 -1.26 -5.00 120.64 111.33 2jrh n GLU 48 Ca 0.00 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 2jrh n GLU 48 Cb 0.00 -1.22 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jrh s LEU 49 N -4.11 3.70 -0.14 -4.62 1.98 -1.26 -5.11 118.68 109.13 2jrh s LEU 49 Ca -0.04 0.18 -0.03 0.00 -2.89 0.00 0.00 54.13 51.35 2jrh s LEU 49 Cb 0.04 -1.86 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 2jrh s LEU 49 CO 0.37 0.36 -0.06 -0.55 -1.89 0.00 0.00 176.35 174.58 2jrh s SER 50 N -0.75 4.64 -0.10 3.68 0.15 -1.26 -2.66 113.70 117.40 2jrh s SER 50 Ca 0.12 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2jrh s SER 50 Cb -0.12 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2jrh s SER 50 CO 0.02 0.19 -0.13 -0.63 1.20 0.00 0.00 173.24 173.90 2jrh s ILE 51 N 0.23 3.15 -0.28 6.45 1.01 0.22 -4.97 121.20 127.00 2jrh s ILE 51 Ca -0.04 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 2jrh s ILE 51 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2jrh s ILE 51 CO 0.03 0.55 0.87 -0.76 0.00 0.00 0.00 174.94 175.63 2jrh s LEU 52 N -0.11 4.06 -0.68 2.97 1.43 -1.26 -1.85 118.68 123.24 2jrh s LEU 52 Ca -0.01 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 53.74 2jrh s LEU 52 Cb -0.14 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 42.92 2jrh s LEU 52 CO 0.03 -0.64 1.03 -0.76 0.23 0.00 0.00 176.35 176.25 2jrh s LEU 53 N 3.07 4.12 -0.04 1.79 2.01 -1.21 -4.77 118.68 123.65 2jrh s LEU 53 Ca 0.36 -0.87 0.14 0.00 0.01 0.00 0.00 54.13 53.77 2jrh s LEU 53 Cb -0.14 -2.45 0.26 0.00 0.01 0.00 0.00 46.19 43.87 2jrh s LEU 53 CO 0.11 -1.53 1.11 0.29 1.01 0.00 0.00 176.35 177.34 2jrh n LYS 54 N 8.07 0.34 -3.58 1.70 5.02 -1.26 -4.75 118.16 123.70 2jrh n LYS 54 Ca -0.02 -1.87 -0.06 0.00 -2.02 0.00 0.00 58.31 54.34 2jrh n LYS 54 Cb 0.46 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.89 2jrh n LYS 54 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2jrh s ASN 55 N -1.89 -0.19 0.44 4.39 3.84 -1.26 -5.03 114.94 115.23 2jrh s ASN 55 Ca 0.22 0.07 0.10 0.00 0.21 0.00 0.00 52.86 53.46 2jrh s ASN 55 Cb 0.23 0.19 0.96 0.00 -0.55 0.00 0.00 41.25 42.09 2jrh s ASN 55 CO -0.07 -0.28 2.05 -0.61 -2.79 0.00 0.00 177.10 175.40 2jrh h GLN 56 N 2.09 0.30 -0.52 0.43 5.75 -1.98 -2.46 115.11 118.72 2jrh h GLN 56 Ca -0.12 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2jrh h GLN 56 Cb 1.18 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 2jrh h GLN 56 CO 0.25 0.25 0.25 0.22 -2.65 0.00 0.00 178.83 177.15 2jrh h ASP 57 N 0.30 0.34 -0.76 -0.69 1.82 -1.98 0.13 116.42 115.58 2jrh h ASP 57 Ca 0.08 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2jrh h ASP 57 Cb 0.07 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 2jrh h ASP 57 CO -0.01 0.23 0.48 0.44 -1.61 0.00 0.00 179.24 178.77 2jrh h ASP 58 N 0.48 0.89 -0.43 2.28 5.19 -1.81 -0.70 116.42 122.31 2jrh h ASP 58 Ca 0.23 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2jrh h ASP 58 Cb 0.17 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2jrh h ASP 58 CO -0.18 0.67 -0.04 0.25 -3.12 0.00 0.00 179.24 176.82 2jrh h LEU 59 N 1.03 0.78 -0.94 1.55 5.85 -1.32 -2.81 115.31 119.45 2jrh h LEU 59 Ca 0.27 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2jrh h LEU 59 Cb -0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 2jrh h LEU 59 CO -0.06 0.93 0.32 -0.78 -0.34 0.00 0.00 178.44 178.51 2jrh h ASP 60 N 0.62 0.99 -0.83 1.25 3.58 -0.40 -2.63 116.42 119.01 2jrh h ASP 60 Ca 0.12 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2jrh h ASP 60 Cb 0.55 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 2jrh h ASP 60 CO 0.03 0.87 0.37 0.50 -2.88 0.00 0.00 179.24 178.13 2jrh h LYS 61 N 1.07 1.21 -0.52 0.28 3.11 -1.03 -2.39 116.57 118.31 2jrh h LYS 61 Ca 0.25 -0.20 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 2jrh h LYS 61 Cb 0.17 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 2jrh h LYS 61 CO -0.03 0.95 0.17 0.00 -2.81 0.00 0.00 179.45 177.73 2jrh h ALA 62 N 1.21 1.32 -0.39 5.00 0.00 -1.22 -2.72 119.26 122.45 2jrh h ALA 62 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2jrh h ALA 62 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jrh h ALA 62 CO -0.03 0.49 0.06 0.82 0.00 0.00 0.00 179.25 180.60 2jrh h ILE 63 N 0.75 1.24 -0.56 0.00 2.04 -1.15 -1.51 117.51 118.32 2jrh h ILE 63 Ca 0.17 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.24 2jrh h ILE 63 Cb 0.22 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2jrh h ILE 63 CO -0.01 0.29 0.24 -0.78 0.00 0.00 0.00 178.15 177.89 2jrh h ASP 64 N 0.50 0.29 -0.53 1.72 1.82 -1.15 0.25 116.42 119.32 2jrh h ASP 64 Ca 0.12 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.70 2jrh h ASP 64 Cb 0.37 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 2jrh h ASP 64 CO 0.01 0.19 -0.10 0.40 -1.61 0.00 0.00 179.24 178.12 2jrh h ILE 65 N 0.45 1.27 -0.45 2.25 2.04 -1.40 -2.90 117.51 118.77 2jrh h ILE 65 Ca 0.27 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2jrh h ILE 65 Cb 0.26 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2jrh h ILE 65 CO -0.24 0.44 0.14 0.25 0.00 0.00 0.00 178.15 178.75 2jrh h LEU 66 N 0.87 0.65 -1.55 1.44 5.85 -0.52 -2.57 115.31 119.49 2jrh h LEU 66 Ca 0.14 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2jrh h LEU 66 Cb 0.67 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2jrh h LEU 66 CO 0.05 0.68 0.41 0.44 -0.34 0.00 0.00 178.44 179.68 2jrh h ASP 67 N 0.58 0.48 0.57 1.25 3.32 -0.45 -1.22 116.42 120.95 2jrh h ASP 67 Ca 0.14 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 2jrh h ASP 67 Cb 0.26 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2jrh h ASP 67 CO -0.00 0.30 -0.70 0.03 -1.72 0.00 0.00 179.24 177.15 2jrh h ARG 68 N 0.54 0.11 -4.54 3.56 3.08 -1.28 -3.40 114.38 112.44 2jrh h ARG 68 Ca 0.27 -0.09 -0.72 0.00 0.07 0.00 0.00 59.98 59.51 2jrh h ARG 68 Cb 0.37 0.02 -0.21 0.00 0.08 0.00 0.00 29.97 30.23 2jrh h ARG 68 CO -0.08 0.76 -0.01 0.45 -1.07 0.00 0.00 179.97 180.02 2jrh s SER 69 N -6.87 6.19 0.29 7.04 0.15 -0.46 -4.92 113.70 115.12 2jrh s SER 69 Ca -0.02 -1.45 -0.02 0.00 0.70 0.00 0.00 55.95 55.15 2jrh s SER 69 Cb 0.12 -2.27 0.43 0.00 -1.71 0.00 0.00 66.02 62.59 2jrh s SER 69 CO 0.79 -0.99 1.96 -1.28 1.20 0.00 0.00 173.24 174.92 2jrh h SER 70 N 9.06 0.97 -0.65 5.45 0.87 -1.79 -2.09 113.55 125.37 2jrh h SER 70 Ca -0.29 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2jrh h SER 70 Cb 1.09 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 2jrh h SER 70 CO 1.05 0.70 0.43 0.77 -0.53 0.00 0.00 176.83 179.25 2jrh h SER 71 N 1.14 0.69 -4.02 6.23 4.64 -1.91 -3.42 113.55 116.90 2jrh h SER 71 Ca 0.32 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 61.18 2jrh h SER 71 Cb -0.10 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2jrh h SER 71 CO -0.08 0.48 0.33 -0.32 -0.87 0.00 0.00 176.83 176.37 2jrh s MET 72 N -5.69 4.26 0.00 4.77 0.00 -0.79 -4.95 119.30 116.90 2jrh s MET 72 Ca -0.10 1.12 0.00 0.00 0.00 0.00 0.00 55.69 56.71 2jrh s MET 72 Cb 0.18 -2.26 0.00 0.00 0.00 0.00 0.00 34.83 32.75 2jrh s MET 72 CO 0.76 0.02 0.00 1.63 0.00 0.00 0.00 175.02 177.43 2jrh n LYS 73 N -0.49 0.00 -3.36 4.11 5.02 -1.26 -4.91 118.16 117.27 2jrh n LYS 73 Ca 0.06 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 2jrh n LYS 73 Cb 0.54 -0.11 -0.01 0.00 -0.02 0.00 0.00 35.03 35.43 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jrh s SER 74 N -3.90 5.63 -0.17 4.39 1.04 -1.26 -4.68 113.70 114.74 2jrh s SER 74 Ca 0.00 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 2jrh s SER 74 Cb 0.00 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 2jrh s SER 74 CO 0.00 -0.57 0.04 -0.76 0.98 0.00 0.00 173.24 172.93 2jrh s LEU 75 N -4.21 3.70 -1.21 2.42 1.43 -1.21 -4.94 118.68 114.66 2jrh s LEU 75 Ca 0.49 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 2jrh s LEU 75 Cb -0.08 -1.92 0.13 0.00 0.03 0.00 0.00 46.19 44.35 2jrh s LEU 75 CO 0.31 0.19 1.50 -0.13 0.23 0.00 0.00 176.35 178.45 2jrh s ARG 76 N 0.26 4.00 -0.31 1.70 0.52 -1.26 -2.23 118.95 121.64 2jrh s ARG 76 Ca 0.02 -2.29 -0.10 0.00 -0.52 0.00 0.00 55.73 52.84 2jrh s ARG 76 Cb -0.13 -5.21 -0.02 0.00 0.52 0.00 0.00 34.95 30.12 2jrh s ARG 76 CO 0.01 -1.93 0.17 0.42 0.02 0.00 0.00 175.30 173.99 2jrh s ILE 77 N 2.60 4.86 -0.30 1.52 1.01 -1.09 -2.79 121.20 127.01 2jrh s ILE 77 Ca 0.46 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2jrh s ILE 77 Cb -0.01 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2jrh s ILE 77 CO 0.01 0.11 0.18 -0.76 0.00 0.00 0.00 174.94 174.48 2jrh s LEU 78 N 1.67 4.13 -0.18 2.97 1.43 0.17 -2.96 118.68 125.91 2jrh s LEU 78 Ca 0.06 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 2jrh s LEU 78 Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2jrh s LEU 78 CO 0.08 -0.15 0.10 -1.48 0.23 0.00 0.00 176.35 175.13 2jrh s LEU 79 N 1.69 4.04 0.13 1.79 0.05 -1.15 -2.20 118.68 123.03 2jrh s LEU 79 Ca 0.06 0.20 0.06 0.00 0.05 0.00 0.00 54.13 54.49 2jrh s LEU 79 Cb -0.17 -2.02 -0.04 0.00 -2.05 0.00 0.00 46.19 41.92 2jrh s LEU 79 CO 0.09 0.22 -0.14 -0.76 -0.55 0.00 0.00 176.35 175.21 2jrh s LEU 80 N 0.11 2.42 0.50 1.48 1.02 -1.18 -4.61 118.68 118.41 2jrh s LEU 80 Ca 0.07 -0.83 -0.22 0.00 0.02 0.00 0.00 54.13 53.17 2jrh s LEU 80 Cb -0.12 -0.55 -0.06 0.00 0.02 0.00 0.00 46.19 45.48 2jrh s LEU 80 CO -0.00 -0.15 1.25 -0.94 0.02 0.00 0.00 176.35 176.53 2jrh s SER 81 N -2.52 5.78 0.00 2.29 1.04 -1.26 -2.32 113.70 116.71 2jrh s SER 81 Ca 0.10 2.51 0.16 0.00 0.48 0.00 0.00 55.95 59.20 2jrh s SER 81 Cb -0.04 -2.62 0.82 0.00 0.10 0.00 0.00 66.02 64.28 2jrh s SER 81 CO 0.03 -1.20 1.55 1.67 0.98 0.00 0.00 173.24 176.27 2jrh n GLN 82 N -0.71 1.20 -3.59 4.02 0.00 -1.18 -4.53 117.38 112.60 2jrh n GLN 82 Ca 0.09 -0.31 -0.40 0.00 -0.00 0.00 0.00 57.00 56.38 2jrh n GLN 82 Cb 0.47 -1.27 -0.07 0.00 0.00 0.00 0.00 30.24 29.37 2jrh n GLN 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jrh s ASP 83 N -1.46 5.84 -0.56 1.69 -1.08 -1.26 -4.90 116.67 114.94 2jrh s ASP 83 Ca 0.24 -2.99 0.01 0.00 -0.52 0.00 0.00 52.55 49.29 2jrh s ASP 83 Cb 0.12 -1.97 0.55 0.00 -1.46 0.00 0.00 42.92 40.15 2jrh s ASP 83 CO 0.19 -0.39 1.96 0.54 0.52 0.00 0.00 175.17 178.00 2jrh n ARG 84 N 3.38 2.50 -2.92 4.34 1.74 -1.26 -4.55 116.66 119.88 2jrh n ARG 84 Ca 0.12 -3.18 -0.19 0.00 -0.77 0.00 0.00 57.85 53.83 2jrh n ARG 84 Cb 0.40 -2.23 -0.01 0.00 -1.02 0.00 0.00 32.46 29.59 2jrh n ARG 84 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2jrh n ASN 85 N -1.02 2.25 -1.35 0.55 0.23 -1.26 -4.81 115.26 109.84 2jrh n ASN 85 Ca 0.61 -3.17 -0.03 0.00 -0.53 0.00 0.00 54.58 51.46 2jrh n ASN 85 Cb 1.12 -0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2jrh n LEU 86 N -0.01 -0.22 -2.08 -4.53 7.94 -1.26 -4.93 117.00 111.91 2jrh n LEU 86 Ca 0.24 -2.12 -0.01 0.00 -1.11 0.00 0.00 56.01 53.01 2jrh n LEU 86 Cb 0.64 0.02 0.07 0.00 0.53 0.00 0.00 43.42 44.68 2jrh n LEU 86 CO 0.27 1.14 0.46 1.21 -1.11 0.00 0.00 177.39 179.35 2jrh n GLU 87 N 0.06 0.74 -2.70 1.96 2.13 -1.26 -5.13 120.64 116.43 2jrh n GLU 87 Ca -0.14 -0.69 -0.42 0.00 0.66 0.00 0.00 57.16 56.56 2jrh n GLU 87 Cb 0.87 0.27 -0.03 0.00 0.27 0.00 0.00 31.44 32.83 2jrh n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2jrh s HIS 88 N 0.07 3.51 -0.13 4.31 2.46 -1.26 -5.04 115.29 119.21 2jrh s HIS 88 Ca 0.05 1.58 -0.03 0.00 0.47 0.00 0.00 55.06 57.12 2jrh s HIS 88 Cb 0.24 -3.18 -0.03 0.00 -0.13 0.00 0.00 32.58 29.48 2jrh s HIS 88 CO -0.07 -0.22 -0.00 -3.38 -2.47 0.00 0.00 174.74 168.60 2jrh s HIS 89 N 1.99 3.13 0.35 3.88 -3.43 -1.26 -5.02 115.29 114.94 2jrh s HIS 89 Ca 0.48 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 2jrh s HIS 89 Cb -0.18 -1.90 0.00 0.00 -1.43 0.00 0.00 32.58 29.07 2jrh s HIS 89 CO 0.18 0.24 0.00 0.72 -2.00 0.00 0.00 174.74 173.88 2jrh n HIS 90 N 2.87 -3.47 0.01 0.38 8.25 -1.26 -5.00 115.22 117.00 2jrh n HIS 90 Ca -0.18 1.75 0.00 0.00 -0.26 0.00 0.00 57.72 59.03 2jrh n HIS 90 Cb 0.53 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.49 2jrh n HIS 90 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrh n HIS 91 N -4.11 -0.78 -2.17 4.41 8.25 -1.26 -4.96 115.22 114.60 2jrh n HIS 91 Ca -0.00 0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 2jrh n HIS 91 Cb 0.63 0.56 0.06 0.00 1.12 0.00 0.00 29.99 32.37 2jrh n HIS 91 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jrh n HIS 92 N -2.57 0.00 -0.77 4.41 1.44 -1.26 -5.32 115.22 111.15 2jrh n HIS 92 Ca 0.00 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 55.03 2jrh n HIS 92 Cb 0.00 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 29.95 2jrh n HIS 92 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11