#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 5.28 -4.37 1.69 2.88 -1.26 -4.96 113.62 112.87 2jrh n SER 2 Ca 0.00 -3.00 -0.45 0.00 -1.33 0.00 0.00 58.87 54.09 2jrh n SER 2 Cb 0.00 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 61.88 2jrh n SER 2 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2jrh s ASP 3 N 2.39 6.19 0.04 -3.46 -4.77 -1.26 -1.58 116.67 114.22 2jrh s ASP 3 Ca 0.41 -1.41 -0.30 0.00 -3.30 0.00 0.00 52.55 47.94 2jrh s ASP 3 Cb -0.03 -2.28 -0.05 0.00 -1.09 0.00 0.00 42.92 39.47 2jrh s ASP 3 CO -0.01 -1.03 1.14 -0.69 0.70 0.00 0.00 175.17 175.28 2jrh s VAL 4 N 2.49 4.26 -0.41 2.11 1.01 -0.60 -4.57 120.40 124.69 2jrh s VAL 4 Ca 0.10 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.48 2jrh s VAL 4 Cb -0.24 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2jrh s VAL 4 CO 0.07 0.12 0.79 -0.13 0.00 0.00 0.00 175.10 175.94 2jrh s ARG 5 N 1.14 3.57 -0.23 2.72 0.52 -1.26 -1.73 118.95 123.68 2jrh s ARG 5 Ca 0.57 0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.76 2jrh s ARG 5 Cb -0.27 -3.88 -0.05 0.00 0.52 0.00 0.00 34.95 31.27 2jrh s ARG 5 CO 0.28 -1.00 0.19 0.42 0.02 0.00 0.00 175.30 175.22 2jrh s ILE 6 N 3.23 5.34 -0.31 1.52 1.01 0.10 -2.82 121.20 129.26 2jrh s ILE 6 Ca 0.31 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 2jrh s ILE 6 Cb -0.12 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2jrh s ILE 6 CO 0.20 0.35 0.24 -0.54 0.00 0.00 0.00 174.94 175.19 2jrh s LYS 7 N 0.98 3.74 0.01 2.79 1.02 -0.95 -1.91 119.74 125.41 2jrh s LYS 7 Ca 0.09 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2jrh s LYS 7 Cb -0.13 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 2jrh s LYS 7 CO 0.04 -0.33 0.02 -0.06 -0.92 0.00 0.00 175.35 174.10 2jrh s PHE 8 N 1.80 3.10 -0.10 3.18 0.40 -0.36 -2.12 117.98 123.88 2jrh s PHE 8 Ca 0.08 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2jrh s PHE 8 Cb -0.17 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.72 2jrh s PHE 8 CO 0.11 0.48 -0.15 -1.21 0.70 0.00 0.00 175.22 175.15 2jrh s GLU 9 N -1.72 2.12 -0.09 0.44 2.02 -1.04 -1.38 118.70 119.04 2jrh s GLU 9 Ca 0.21 -0.53 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 2jrh s GLU 9 Cb -0.12 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.36 2jrh s GLU 9 CO 0.12 -0.05 0.11 -1.58 0.02 0.00 0.00 175.26 173.88 2jrh s HIS 10 N 0.95 0.00 -1.49 1.61 2.46 -0.09 -2.80 115.29 115.93 2jrh s HIS 10 Ca -0.08 0.22 -0.05 0.00 0.47 0.00 0.00 55.06 55.61 2jrh s HIS 10 Cb -0.15 -0.46 0.02 0.00 -0.13 0.00 0.00 32.58 31.86 2jrh s HIS 10 CO -0.01 -0.32 0.55 0.09 -2.47 0.00 0.00 174.74 172.58 2jrh n ASN 11 N 5.30 -5.52 0.00 9.88 4.13 -1.26 -1.77 115.26 126.03 2jrh n ASN 11 Ca -0.05 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.93 2jrh n ASN 11 Cb 0.50 -4.48 0.00 0.00 -1.54 0.00 0.00 39.78 34.25 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jrh n GLY 12 N -1.41 2.54 3.75 7.41 0.00 -1.26 -5.03 105.19 111.19 2jrh n GLY 12 Ca -0.10 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2jrh n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrh s GLU 13 N 0.00 2.87 0.18 1.61 2.02 -0.73 -5.02 118.70 119.63 2jrh s GLU 13 Ca 0.00 1.79 0.08 0.00 0.02 0.00 0.00 54.97 56.86 2jrh s GLU 13 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 2jrh s GLU 13 CO 0.00 -1.27 -0.17 -0.98 0.02 0.00 0.00 175.26 172.86 2jrh s ARG 14 N -3.44 1.30 -0.10 1.61 1.04 -1.26 -0.91 118.95 117.18 2jrh s ARG 14 Ca 0.76 -1.48 -0.12 0.00 -1.04 0.00 0.00 55.73 53.85 2jrh s ARG 14 Cb -0.29 -1.25 0.03 0.00 -2.04 0.00 0.00 34.95 31.39 2jrh s ARG 14 CO 0.35 0.24 0.32 0.50 -0.04 0.00 0.00 175.30 176.67 2jrh s ARG 15 N -3.13 0.45 -0.21 3.89 3.52 -0.48 -4.98 118.95 118.01 2jrh s ARG 15 Ca 0.18 0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2jrh s ARG 15 Cb -0.04 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2jrh s ARG 15 CO 0.07 -0.08 -0.09 0.42 -0.81 0.00 0.00 175.30 174.81 2jrh s ILE 16 N -0.17 2.94 -0.07 4.11 1.09 -1.26 -1.22 121.20 126.62 2jrh s ILE 16 Ca -0.03 -0.67 0.03 0.00 -1.10 0.00 0.00 60.65 58.87 2jrh s ILE 16 Cb -0.03 -2.33 0.01 0.00 -1.06 0.00 0.00 42.46 39.05 2jrh s ILE 16 CO 0.01 0.44 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.51 2jrh s ILE 17 N 1.41 1.31 0.05 2.92 1.01 -0.80 -4.95 121.20 122.14 2jrh s ILE 17 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 2jrh s ILE 17 Cb -0.14 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 2jrh s ILE 17 CO -0.06 0.39 0.39 0.00 0.00 0.00 0.00 174.94 175.66 2jrh s ALA 18 N 0.52 3.72 -0.09 9.38 0.00 -1.26 -0.72 121.76 133.31 2jrh s ALA 18 Ca -0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 2jrh s ALA 18 Cb -0.15 -2.30 0.04 0.00 0.00 0.00 0.00 23.12 20.71 2jrh s ALA 18 CO 0.04 0.54 0.04 -0.06 0.00 0.00 0.00 175.76 176.32 2jrh s PHE 19 N -1.29 0.44 0.36 0.00 0.08 -0.70 -4.91 117.98 111.95 2jrh s PHE 19 Ca 0.30 -0.14 -0.26 0.00 0.12 0.00 0.00 56.93 56.94 2jrh s PHE 19 Cb -0.15 -0.71 -0.09 0.00 -0.57 0.00 0.00 43.02 41.51 2jrh s PHE 19 CO 0.16 -0.35 1.12 -1.54 -0.10 0.00 0.00 175.22 174.52 2jrh s SER 20 N 2.05 6.81 0.14 1.36 1.04 -1.26 -1.56 113.70 122.28 2jrh s SER 20 Ca 0.04 2.26 0.03 0.00 0.48 0.00 0.00 55.95 58.75 2jrh s SER 20 Cb -0.13 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 2jrh s SER 20 CO -0.05 -0.47 0.22 -0.13 0.98 0.00 0.00 173.24 173.79 2jrh s ARG 21 N -2.08 3.26 0.29 4.02 3.00 -0.62 -3.79 118.95 123.04 2jrh s ARG 21 Ca 0.53 -0.65 -0.29 0.00 0.00 0.00 0.00 55.73 55.32 2jrh s ARG 21 Cb -0.29 -2.88 -0.09 0.00 0.00 0.00 0.00 34.95 31.69 2jrh s ARG 21 CO 0.37 0.53 1.09 -2.14 0.00 0.00 0.00 175.30 175.15 2jrh s PRO 22 N -3.04 4.60 0.03 3.54 0.02 -1.26 -4.69 135.00 134.19 2jrh s PRO 22 Ca 0.33 1.77 0.06 0.00 0.02 0.00 0.00 61.00 63.18 2jrh s PRO 22 Cb -0.11 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2jrh s PRO 22 CO 0.27 0.19 -0.18 0.54 -0.33 0.00 0.00 177.00 177.49 2jrh s VAL 23 N -1.21 1.40 0.04 3.83 0.11 -1.25 -5.14 120.40 118.18 2jrh s VAL 23 Ca 0.46 -0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 2jrh s VAL 23 Cb -0.31 -1.21 -0.06 0.00 -1.53 0.00 0.00 36.38 33.27 2jrh s VAL 23 CO 0.40 0.20 0.41 -0.54 -3.33 0.00 0.00 175.10 172.23 2jrh s LYS 24 N -0.93 3.84 0.33 1.54 3.01 -1.26 -4.99 119.74 121.28 2jrh s LYS 24 Ca 0.05 0.30 0.01 0.00 -1.01 0.00 0.00 55.97 55.33 2jrh s LYS 24 Cb -0.08 -3.11 0.58 0.00 -1.01 0.00 0.00 37.83 34.22 2jrh s LYS 24 CO 0.01 0.63 1.99 -0.92 0.51 0.00 0.00 175.35 177.56 2jrh h TYR 25 N 4.22 0.88 -0.54 3.18 3.20 -1.98 -2.39 116.97 123.53 2jrh h TYR 25 Ca -0.50 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.41 2jrh h TYR 25 Cb 1.21 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 2jrh h TYR 25 CO 0.69 0.54 0.32 0.93 -1.64 0.00 0.00 178.16 179.00 2jrh h GLU 26 N 0.94 0.62 -0.44 1.82 3.07 -1.98 0.32 114.58 118.92 2jrh h GLU 26 Ca 0.27 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 2jrh h GLU 26 Cb -0.05 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 2jrh h GLU 26 CO -0.07 0.41 0.18 -0.44 -1.40 0.00 0.00 179.01 177.70 2jrh h ASP 27 N 0.64 0.60 -0.19 1.42 5.19 -1.86 -0.44 116.42 121.79 2jrh h ASP 27 Ca 0.22 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2jrh h ASP 27 Cb 0.03 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2jrh h ASP 27 CO -0.10 0.60 -0.03 0.58 -3.12 0.00 0.00 179.24 177.17 2jrh h VAL 28 N 0.57 1.28 -0.52 -1.35 2.07 -1.11 -2.67 116.25 114.53 2jrh h VAL 28 Ca 0.15 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2jrh h VAL 28 Cb 0.18 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2jrh h VAL 28 CO -0.01 0.29 0.31 -0.08 0.02 0.00 0.00 177.57 178.10 2jrh h GLU 29 N 0.07 0.60 -0.43 1.57 4.22 -0.29 0.97 114.58 121.29 2jrh h GLU 29 Ca 0.05 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.50 2jrh h GLU 29 Cb 0.46 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2jrh h GLU 29 CO 0.02 0.39 0.18 1.25 -2.18 0.00 0.00 179.01 178.67 2jrh h HIS 30 N 0.61 0.33 -0.01 0.92 2.76 -1.05 0.22 115.15 118.93 2jrh h HIS 30 Ca 0.21 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2jrh h HIS 30 Cb 0.03 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 2jrh h HIS 30 CO -0.07 0.14 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.49 2jrh h LYS 31 N 0.37 0.02 -0.70 5.26 3.64 -1.10 -2.22 116.57 121.83 2jrh h LYS 31 Ca 0.20 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2jrh h LYS 31 Cb 0.15 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2jrh h LYS 31 CO -0.17 0.37 0.44 0.28 -2.27 0.00 0.00 179.45 178.09 2jrh h VAL 32 N -0.33 1.09 -0.79 2.00 2.07 -0.59 0.59 116.25 120.29 2jrh h VAL 32 Ca 0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2jrh h VAL 32 Cb 0.36 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2jrh h VAL 32 CO 0.00 0.15 0.34 0.74 0.02 0.00 0.00 177.57 178.83 2jrh h THR 33 N 0.85 1.25 -0.17 2.57 2.02 -0.56 -2.38 112.91 116.49 2jrh h THR 33 Ca 0.28 -0.77 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 2jrh h THR 33 Cb 0.03 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2jrh h THR 33 CO -0.11 0.32 -0.45 0.74 0.37 0.00 0.00 175.52 176.38 2jrh h THR 34 N 1.13 1.33 -0.01 3.16 2.02 -0.81 0.76 112.91 120.49 2jrh h THR 34 Ca 0.27 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.77 2jrh h THR 34 Cb 0.17 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2jrh h THR 34 CO -0.03 0.53 -0.13 0.58 0.37 0.00 0.00 175.52 176.84 2jrh h VAL 35 N 0.28 0.67 0.00 3.16 2.07 -0.76 -3.14 116.25 118.54 2jrh h VAL 35 Ca -0.01 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 2jrh h VAL 35 Cb 1.07 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2jrh h VAL 35 CO 0.10 0.00 -1.44 -0.26 0.02 0.00 0.00 177.57 175.98 2jrh h PHE 36 N -0.22 0.00 0.00 1.57 0.04 -1.52 -3.51 116.94 113.31 2jrh h PHE 36 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2jrh h PHE 36 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2jrh h PHE 36 CO -0.19 0.82 0.00 0.41 -0.60 0.00 0.00 178.31 178.75 2jrh n GLY 37 N 1.45 -1.70 3.15 -1.45 0.00 0.26 -5.05 105.19 101.86 2jrh n GLY 37 Ca -0.11 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 0.66 -0.06 1.61 1.03 -1.26 -4.21 119.66 117.43 2jrh s GLN 38 Ca 0.00 -0.80 -0.22 0.00 0.04 0.00 0.00 55.36 54.39 2jrh s GLN 38 Cb 0.00 0.26 -0.04 0.00 0.03 0.00 0.00 33.01 33.26 2jrh s GLN 38 CO 0.00 -0.18 0.63 -1.25 -2.54 0.00 0.00 175.29 171.96 2jrh s PRO 39 N -2.92 4.39 -0.03 9.60 0.04 -1.26 -5.09 135.00 139.73 2jrh s PRO 39 Ca -0.02 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2jrh s PRO 39 Cb 0.01 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 31.16 2jrh s PRO 39 CO -0.06 0.16 0.01 -0.51 0.04 0.00 0.00 177.00 176.64 2jrh s LEU 40 N 0.50 1.20 -0.15 -3.56 1.43 -1.26 -2.73 118.68 114.11 2jrh s LEU 40 Ca 0.34 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2jrh s LEU 40 Cb -0.17 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 2jrh s LEU 40 CO 0.17 -0.10 0.10 -0.62 0.23 0.00 0.00 176.35 176.13 2jrh s ASP 41 N 0.96 6.04 -0.55 2.29 -1.08 -0.12 -4.94 116.67 119.27 2jrh s ASP 41 Ca -0.09 0.28 -0.21 0.00 -0.52 0.00 0.00 52.55 52.01 2jrh s ASP 41 Cb -0.13 -1.98 0.06 0.00 -1.46 0.00 0.00 42.92 39.41 2jrh s ASP 41 CO -0.02 0.30 0.77 -0.76 0.52 0.00 0.00 175.17 175.97 2jrh s LEU 42 N -0.35 4.70 -0.17 -1.34 1.43 -1.26 -2.02 118.68 119.67 2jrh s LEU 42 Ca 0.10 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 2jrh s LEU 42 Cb -0.12 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2jrh s LEU 42 CO 0.01 -1.09 0.01 -2.28 0.23 0.00 0.00 176.35 173.24 2jrh s HIS 43 N 3.20 3.13 -0.26 0.29 2.46 0.07 -3.97 115.29 120.21 2jrh s HIS 43 Ca 0.20 -0.13 -0.07 0.00 0.47 0.00 0.00 55.06 55.53 2jrh s HIS 43 Cb -0.18 -2.02 -0.02 0.00 -0.13 0.00 0.00 32.58 30.23 2jrh s HIS 43 CO 0.13 0.05 0.08 -0.47 -2.47 0.00 0.00 174.74 172.06 2jrh s TYR 44 N 0.39 3.10 -0.01 3.88 6.14 -0.28 -1.19 117.35 129.37 2jrh s TYR 44 Ca -0.01 -0.47 0.03 0.00 0.64 0.00 0.00 57.07 57.27 2jrh s TYR 44 Cb -0.13 -2.25 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 2jrh s TYR 44 CO 0.02 -0.38 -0.11 -1.64 0.64 0.00 0.00 175.55 174.08 2jrh s MET 45 N 1.61 0.87 -0.27 4.97 -1.94 -1.25 -0.55 119.30 122.75 2jrh s MET 45 Ca 0.06 -0.38 -0.08 0.00 -1.71 0.00 0.00 55.69 53.58 2jrh s MET 45 Cb -0.15 -0.84 -0.15 0.00 2.01 0.00 0.00 34.83 35.70 2jrh s MET 45 CO 0.04 0.23 -0.27 0.09 -0.01 0.00 0.00 175.02 175.10 2jrh n ASN 46 N 2.81 1.97 0.05 3.03 3.02 -1.17 -4.82 115.26 120.15 2jrh n ASN 46 Ca -0.14 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2jrh n ASN 46 Cb 0.56 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 2jrh n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jrh n ASN 47 N -3.87 -0.93 -0.06 6.41 2.85 -1.26 -4.99 115.26 113.42 2jrh n ASN 47 Ca -0.50 0.39 -0.06 0.00 -0.11 0.00 0.00 54.58 54.30 2jrh n ASN 47 Cb 0.92 1.12 -0.09 0.00 1.24 0.00 0.00 39.78 42.98 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 -2.63 2.00 -3.44 1.20 -0.58 -1.26 -4.98 120.64 110.95 2jrh n GLU 48 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2jrh n GLU 48 Cb 0.00 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jrh s LEU 49 N -4.92 4.31 -0.20 -4.62 1.43 -1.26 -5.07 118.68 108.35 2jrh s LEU 49 Ca -0.07 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2jrh s LEU 49 Cb 0.03 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 2jrh s LEU 49 CO 0.45 0.12 -0.06 -0.94 0.23 0.00 0.00 176.35 176.15 2jrh s SER 50 N 0.14 4.28 -0.05 2.29 1.04 -1.26 -3.07 113.70 117.07 2jrh s SER 50 Ca 0.22 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2jrh s SER 50 Cb -0.15 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2jrh s SER 50 CO 0.09 0.03 -0.15 -0.63 0.98 0.00 0.00 173.24 173.56 2jrh s ILE 51 N 1.18 1.27 -0.18 -1.02 1.09 0.29 -5.03 121.20 118.81 2jrh s ILE 51 Ca 0.02 -0.59 -0.08 0.00 -1.10 0.00 0.00 60.65 58.90 2jrh s ILE 51 Cb -0.14 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.09 2jrh s ILE 51 CO -0.01 0.38 0.08 -0.22 -0.10 0.00 0.00 174.94 175.06 2jrh s LEU 52 N 0.35 3.91 -1.11 2.97 0.20 -1.26 -1.13 118.68 122.61 2jrh s LEU 52 Ca -0.09 0.14 -0.22 0.00 0.69 0.00 0.00 54.13 54.64 2jrh s LEU 52 Cb -0.13 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 2jrh s LEU 52 CO 0.03 0.20 1.78 -0.76 -0.29 0.00 0.00 176.35 177.32 2jrh s LEU 53 N 0.20 3.37 0.08 -0.68 1.43 -1.25 -4.74 118.68 117.09 2jrh s LEU 53 Ca 0.05 -1.57 -0.09 0.00 -1.03 0.00 0.00 54.13 51.49 2jrh s LEU 53 Cb -0.12 -2.58 -0.24 0.00 0.03 0.00 0.00 46.19 43.29 2jrh s LEU 53 CO 0.00 -2.19 1.16 0.50 0.23 0.00 0.00 176.35 176.06 2jrh h LYS 54 N 9.60 0.48 0.00 1.70 1.63 -1.95 -3.48 116.57 124.55 2jrh h LYS 54 Ca 0.24 -0.65 -0.34 0.00 -0.85 0.00 0.00 60.65 59.05 2jrh h LYS 54 Cb 0.95 0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 32.71 2jrh h LYS 54 CO 1.32 1.27 -0.26 0.09 -3.45 0.00 0.00 179.45 178.42 2jrh n ASN 55 N -3.72 -1.06 -0.12 4.20 3.02 -1.26 -5.04 115.26 111.28 2jrh n ASN 55 Ca -0.11 -2.92 0.08 0.00 -0.03 0.00 0.00 54.58 51.60 2jrh n ASN 55 Cb 0.96 2.11 0.41 0.00 -0.61 0.00 0.00 39.78 42.65 2jrh n ASN 55 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2jrh h GLN 56 N 0.00 0.59 -0.50 3.52 5.75 -2.00 -2.04 115.11 120.43 2jrh h GLN 56 Ca -0.25 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.27 2jrh h GLN 56 Cb 1.14 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.51 2jrh h GLN 56 CO 0.34 0.39 0.22 -0.44 -2.65 0.00 0.00 178.83 176.69 2jrh h ASP 57 N 0.61 0.27 -0.82 -0.69 5.19 -1.99 -0.51 116.42 118.48 2jrh h ASP 57 Ca 0.28 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2jrh h ASP 57 Cb 0.31 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 2jrh h ASP 57 CO -0.09 0.19 0.52 0.44 -3.12 0.00 0.00 179.24 177.19 2jrh h ASP 58 N 0.42 0.97 -0.52 6.45 5.19 -1.73 -1.76 116.42 125.44 2jrh h ASP 58 Ca 0.23 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2jrh h ASP 58 Cb 0.20 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 2jrh h ASP 58 CO -0.20 0.72 0.20 0.25 -3.12 0.00 0.00 179.24 177.09 2jrh h LEU 59 N 1.12 0.73 -0.76 1.55 5.85 -1.20 -2.33 115.31 120.27 2jrh h LEU 59 Ca 0.30 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2jrh h LEU 59 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2jrh h LEU 59 CO -0.06 0.71 0.36 -0.78 -0.34 0.00 0.00 178.44 178.33 2jrh h ASP 60 N 0.70 1.00 -0.40 1.25 3.58 -0.76 -2.43 116.42 119.36 2jrh h ASP 60 Ca 0.17 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2jrh h ASP 60 Cb 0.22 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2jrh h ASP 60 CO -0.01 0.86 0.13 0.50 -2.88 0.00 0.00 179.24 177.84 2jrh h LYS 61 N 1.07 0.70 -0.69 0.28 3.64 -1.15 -2.46 116.57 117.96 2jrh h LYS 61 Ca 0.26 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jrh h LYS 61 Cb 0.13 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2jrh h LYS 61 CO -0.03 0.62 0.27 0.00 -2.27 0.00 0.00 179.45 178.04 2jrh h ALA 62 N 1.47 1.18 -0.58 5.00 0.00 -0.94 -2.78 119.26 122.61 2jrh h ALA 62 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jrh h ALA 62 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jrh h ALA 62 CO -0.01 0.59 0.19 0.82 0.00 0.00 0.00 179.25 180.85 2jrh h ILE 63 N 0.99 1.24 -0.97 0.00 1.08 -1.19 -2.45 117.51 116.21 2jrh h ILE 63 Ca 0.23 -0.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 2jrh h ILE 63 Cb 0.20 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 2jrh h ILE 63 CO -0.02 0.30 0.63 0.44 -0.69 0.00 0.00 178.15 178.81 2jrh h ASP 64 N 0.81 0.97 -0.46 1.72 3.32 -1.31 -1.52 116.42 119.96 2jrh h ASP 64 Ca 0.19 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 2jrh h ASP 64 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2jrh h ASP 64 CO -0.01 0.60 -0.22 0.40 -1.72 0.00 0.00 179.24 178.29 2jrh h ILE 65 N 1.08 1.27 -0.29 0.35 2.04 -1.33 -2.74 117.51 117.89 2jrh h ILE 65 Ca 0.43 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2jrh h ILE 65 Cb 0.26 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2jrh h ILE 65 CO -0.18 0.47 0.17 -0.07 0.00 0.00 0.00 178.15 178.54 2jrh h LEU 66 N 0.80 0.35 -1.78 1.44 3.38 -0.88 -2.33 115.31 116.30 2jrh h LEU 66 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jrh h LEU 66 Cb 0.80 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2jrh h LEU 66 CO 0.07 0.31 0.04 0.44 0.09 0.00 0.00 178.44 179.39 2jrh h ASP 67 N 0.37 0.15 0.42 -0.43 5.19 -1.29 -1.44 116.42 119.39 2jrh h ASP 67 Ca 0.10 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2jrh h ASP 67 Cb 0.02 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2jrh h ASP 67 CO -0.02 0.16 -0.28 0.03 -3.12 0.00 0.00 179.24 176.01 2jrh h ARG 68 N 0.18 0.00 -7.07 3.56 2.47 -1.11 -3.45 114.38 108.96 2jrh h ARG 68 Ca 0.05 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.21 2jrh h ARG 68 Cb 0.06 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.54 2jrh h ARG 68 CO -0.00 0.28 0.54 0.45 0.56 0.00 0.00 179.97 181.80 2jrh n SER 69 N -3.92 2.30 0.02 7.04 2.88 -0.54 -4.93 113.62 116.46 2jrh n SER 69 Ca -0.02 0.89 -0.08 0.00 -1.33 0.00 0.00 58.87 58.33 2jrh n SER 69 Cb 0.35 -1.56 0.08 0.00 -0.75 0.00 0.00 64.21 62.33 2jrh n SER 69 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2jrh h SER 70 N 0.89 0.55 -1.14 -3.46 0.87 -1.86 -3.42 113.55 105.98 2jrh h SER 70 Ca -0.51 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 59.69 2jrh h SER 70 Cb 1.33 -0.16 -0.21 0.00 -0.44 0.00 0.00 62.40 62.92 2jrh h SER 70 CO 0.55 0.98 -0.46 -0.44 -0.53 0.00 0.00 176.83 176.93 2jrh s SER 71 N -6.91 -1.19 -0.30 6.23 0.01 -1.26 -5.11 113.70 105.18 2jrh s SER 71 Ca -0.07 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 2jrh s SER 71 Cb 0.12 1.80 0.18 0.00 0.21 0.00 0.00 66.02 68.33 2jrh s SER 71 CO 0.83 -0.22 0.84 -0.04 0.41 0.00 0.00 173.24 175.05 2jrh s MET 72 N 2.11 0.36 -0.20 12.44 1.00 -1.26 -5.04 119.30 128.70 2jrh s MET 72 Ca 0.14 0.58 0.15 0.00 0.00 0.00 0.00 55.69 56.56 2jrh s MET 72 Cb -0.07 0.31 -0.23 0.00 0.00 0.00 0.00 34.83 34.84 2jrh s MET 72 CO -0.13 -0.46 0.06 1.63 0.00 0.00 0.00 175.02 176.12 2jrh n LYS 73 N 5.41 0.68 -1.41 2.03 5.02 -1.26 -4.80 118.16 123.84 2jrh n LYS 73 Ca -0.02 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2jrh n LYS 73 Cb 0.53 -1.54 0.11 0.00 -0.02 0.00 0.00 35.03 34.11 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jrh s SER 74 N -5.73 4.05 -0.14 4.39 0.01 -1.26 -4.65 113.70 110.37 2jrh s SER 74 Ca -0.14 1.37 -0.02 0.00 1.31 0.00 0.00 55.95 58.46 2jrh s SER 74 Cb 0.07 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 2jrh s SER 74 CO 0.79 -2.26 -0.06 -0.76 0.41 0.00 0.00 173.24 171.36 2jrh s LEU 75 N -5.96 3.13 -1.24 2.44 1.02 -1.13 -4.95 118.68 111.99 2jrh s LEU 75 Ca 0.62 -0.15 -0.14 0.00 0.02 0.00 0.00 54.13 54.48 2jrh s LEU 75 Cb -0.16 -1.73 0.14 0.00 0.02 0.00 0.00 46.19 44.46 2jrh s LEU 75 CO 0.55 0.20 1.56 -1.14 0.02 0.00 0.00 176.35 177.55 2jrh n ARG 76 N 3.30 3.34 -3.62 1.70 0.00 -1.26 -2.24 116.66 117.88 2jrh n ARG 76 Ca -0.18 -3.66 -0.39 0.00 -0.00 0.00 0.00 57.85 53.62 2jrh n ARG 76 Cb 0.53 -3.14 -0.11 0.00 0.00 0.00 0.00 32.46 29.73 2jrh n ARG 76 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jrh s ILE 77 N 2.12 4.65 -0.26 5.15 -1.09 -0.90 -3.79 121.20 127.08 2jrh s ILE 77 Ca 0.45 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2jrh s ILE 77 Cb 0.00 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2jrh s ILE 77 CO 0.02 -0.05 0.01 -0.22 -1.23 0.00 0.00 174.94 173.46 2jrh s LEU 78 N 1.60 3.35 -0.13 2.97 0.20 -0.34 -2.50 118.68 123.83 2jrh s LEU 78 Ca 0.04 -0.59 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 2jrh s LEU 78 Cb -0.18 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 2jrh s LEU 78 CO 0.07 -0.10 -0.10 -1.48 -0.29 0.00 0.00 176.35 174.44 2jrh s LEU 79 N 1.47 2.91 0.22 -0.68 0.05 -1.12 -0.75 118.68 120.77 2jrh s LEU 79 Ca 0.04 -0.25 0.11 0.00 0.05 0.00 0.00 54.13 54.07 2jrh s LEU 79 Cb -0.16 -1.67 -0.05 0.00 -2.05 0.00 0.00 46.19 42.27 2jrh s LEU 79 CO -0.01 0.18 -0.21 -0.76 -0.55 0.00 0.00 176.35 175.01 2jrh s LEU 80 N 0.28 2.50 0.33 1.48 1.43 -0.86 -4.47 118.68 119.37 2jrh s LEU 80 Ca -0.07 -0.94 -0.20 0.00 -1.03 0.00 0.00 54.13 51.89 2jrh s LEU 80 Cb -0.15 -1.03 -0.10 0.00 0.03 0.00 0.00 46.19 44.94 2jrh s LEU 80 CO 0.05 0.03 0.83 -0.55 0.23 0.00 0.00 176.35 176.94 2jrh s SER 81 N -3.02 7.00 0.00 2.29 0.15 -1.26 -0.94 113.70 117.91 2jrh s SER 81 Ca 0.23 1.54 0.15 0.00 0.70 0.00 0.00 55.95 58.57 2jrh s SER 81 Cb -0.06 -2.47 0.70 0.00 -1.71 0.00 0.00 66.02 62.49 2jrh s SER 81 CO 0.11 -0.17 1.48 1.67 1.20 0.00 0.00 173.24 177.53 2jrh n GLN 82 N -0.02 1.36 -3.09 5.44 -0.06 -1.10 -4.81 117.38 115.10 2jrh n GLN 82 Ca 0.03 -0.54 -0.41 0.00 -2.00 0.00 0.00 57.00 54.08 2jrh n GLN 82 Cb 0.52 -1.28 -0.06 0.00 -4.06 0.00 0.00 30.24 25.36 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2jrh s ASP 83 N -1.40 6.54 -0.11 1.69 1.01 -1.26 -4.68 116.67 118.45 2jrh s ASP 83 Ca 0.24 0.53 -0.08 0.00 0.71 0.00 0.00 52.55 53.95 2jrh s ASP 83 Cb 0.12 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.74 2jrh s ASP 83 CO 0.19 -0.47 0.16 -1.14 0.21 0.00 0.00 175.17 174.12 2jrh n ARG 84 N 5.88 -2.88 -3.24 8.23 0.00 -1.26 -5.05 116.66 118.34 2jrh n ARG 84 Ca -0.00 2.36 -0.23 0.00 -0.00 0.00 0.00 57.85 59.97 2jrh n ARG 84 Cb 0.49 -3.53 -0.07 0.00 0.00 0.00 0.00 32.46 29.35 2jrh n ARG 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jrh n ASN 85 N 1.06 -0.53 -3.13 6.15 4.13 -1.26 -4.99 115.26 116.69 2jrh n ASN 85 Ca -0.27 -2.58 -0.08 0.00 1.68 0.00 0.00 54.58 53.33 2jrh n ASN 85 Cb 0.41 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.33 2jrh n ASN 85 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jrh n LEU 86 N 2.20 -6.16 0.01 3.41 4.77 -1.26 -4.94 117.00 115.03 2jrh n LEU 86 Ca 0.24 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2jrh n LEU 86 Cb 0.51 -2.99 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 2jrh n LEU 86 CO 0.11 -1.19 0.00 -1.84 -1.33 0.00 0.00 177.39 173.14 2jrh n GLU 87 N -1.36 0.00 -2.92 3.23 0.28 -1.26 -5.13 120.64 113.48 2jrh n GLU 87 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.60 2jrh n GLU 87 Cb 0.53 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.34 2jrh n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2jrh s HIS 88 N -2.00 3.84 -0.49 -1.84 2.46 -1.26 -4.45 115.29 111.56 2jrh s HIS 88 Ca 0.00 1.67 -0.08 0.00 0.47 0.00 0.00 55.06 57.12 2jrh s HIS 88 Cb 0.00 -2.81 0.01 0.00 -0.13 0.00 0.00 32.58 29.65 2jrh s HIS 88 CO 0.00 0.42 0.56 0.72 -2.47 0.00 0.00 174.74 173.97 2jrh n HIS 89 N 1.25 -2.88 -3.58 3.88 8.25 -1.26 -5.05 115.22 115.83 2jrh n HIS 89 Ca -0.03 1.14 -0.29 0.00 -0.26 0.00 0.00 57.72 58.28 2jrh n HIS 89 Cb 0.49 -3.78 -0.15 0.00 1.12 0.00 0.00 29.99 27.67 2jrh n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrh s HIS 90 N -2.65 0.52 -0.13 4.41 5.04 -1.26 -5.11 115.29 116.11 2jrh s HIS 90 Ca 0.13 -0.95 0.00 0.00 -1.54 0.00 0.00 55.06 52.70 2jrh s HIS 90 Cb -0.04 -1.00 0.02 0.00 0.04 0.00 0.00 32.58 31.61 2jrh s HIS 90 CO 0.67 -0.80 -0.12 -1.01 -2.34 0.00 0.00 174.74 171.13 2jrh s HIS 91 N 2.03 1.94 -0.15 3.88 3.76 -1.26 -5.12 115.29 120.37 2jrh s HIS 91 Ca 0.08 -1.05 -0.05 0.00 -0.15 0.00 0.00 55.06 53.89 2jrh s HIS 91 Cb -0.16 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 2jrh s HIS 91 CO -0.32 -0.61 0.03 -3.38 -0.85 0.00 0.00 174.74 169.61 2jrh s HIS 92 N 1.53 3.21 0.00 1.40 -3.43 -1.26 -5.32 115.29 111.41 2jrh s HIS 92 Ca 0.04 0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 2jrh s HIS 92 Cb -0.13 -1.96 0.00 0.00 -1.43 0.00 0.00 32.58 29.06 2jrh s HIS 92 CO -0.09 0.25 0.00 0.72 -2.00 0.00 0.00 174.74 173.62