#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 4.63 -4.75 1.08 2.88 -1.26 -5.04 113.62 111.16 2jrh n SER 2 Ca 0.00 -3.15 -0.26 0.00 -1.33 0.00 0.00 58.87 54.13 2jrh n SER 2 Cb 0.00 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 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 -0.09 4.35 -0.06 -3.46 -4.77 -1.26 -0.02 116.67 111.36 2jrh s ASP 3 Ca 0.29 -1.22 0.01 0.00 -3.30 0.00 0.00 52.55 48.34 2jrh s ASP 3 Cb -0.06 -0.21 0.02 0.00 -1.09 0.00 0.00 42.92 41.58 2jrh s ASP 3 CO -0.10 -0.65 -0.08 -0.69 0.70 0.00 0.00 175.17 174.35 2jrh s VAL 4 N -2.67 0.86 -0.40 2.11 1.01 0.26 -4.91 120.40 116.65 2jrh s VAL 4 Ca 0.35 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 2jrh s VAL 4 Cb 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2jrh s VAL 4 CO 0.19 0.30 0.75 -0.13 0.00 0.00 0.00 175.10 176.21 2jrh s ARG 5 N 0.86 3.60 -0.18 2.72 0.52 -1.26 -1.93 118.95 123.28 2jrh s ARG 5 Ca -0.11 0.09 -0.06 0.00 -0.52 0.00 0.00 55.73 55.13 2jrh s ARG 5 Cb -0.15 -3.86 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 2jrh s ARG 5 CO 0.01 -0.93 0.02 0.42 0.02 0.00 0.00 175.30 174.84 2jrh s ILE 6 N 3.09 4.34 -0.22 1.52 1.01 0.05 -2.38 121.20 128.62 2jrh s ILE 6 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 2jrh s ILE 6 Cb -0.13 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2jrh s ILE 6 CO 0.19 0.46 0.08 -0.54 0.00 0.00 0.00 174.94 175.13 2jrh s LYS 7 N 0.52 3.86 0.00 2.79 1.02 -0.08 -1.85 119.74 126.00 2jrh s LYS 7 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.63 2jrh s LYS 7 Cb -0.13 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 2jrh s LYS 7 CO 0.02 0.06 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.41 2jrh s PHE 8 N 0.98 2.99 -0.14 3.18 0.40 -0.47 -2.31 117.98 122.62 2jrh s PHE 8 Ca 0.04 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2jrh s PHE 8 Cb -0.14 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.76 2jrh s PHE 8 CO 0.03 0.42 -0.19 -2.00 0.70 0.00 0.00 175.22 174.18 2jrh s GLU 9 N -1.50 2.74 -0.11 0.44 2.56 -1.02 -1.62 118.70 120.20 2jrh s GLU 9 Ca 0.18 -0.75 -0.03 0.00 0.00 0.00 0.00 54.97 54.37 2jrh s GLU 9 Cb -0.11 -2.28 0.05 0.00 2.00 0.00 0.00 34.13 33.79 2jrh s GLU 9 CO 0.09 -0.07 0.11 -1.58 -0.56 0.00 0.00 175.26 173.24 2jrh s HIS 10 N 0.98 0.02 -1.62 5.30 5.65 -0.84 -2.79 115.29 121.99 2jrh s HIS 10 Ca -0.04 0.15 -0.01 0.00 0.25 0.00 0.00 55.06 55.40 2jrh s HIS 10 Cb -0.15 -0.49 0.00 0.00 -1.18 0.00 0.00 32.58 30.76 2jrh s HIS 10 CO -0.04 -0.35 0.10 0.09 -0.65 0.00 0.00 174.74 173.89 2jrh n ASN 11 N 5.30 -5.56 0.00 9.88 3.02 -1.26 -0.78 115.26 125.86 2jrh n ASN 11 Ca -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2jrh n ASN 11 Cb 0.50 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrh n GLY 12 N -1.06 1.21 3.81 7.41 0.00 -1.26 -5.04 105.19 110.25 2jrh n GLY 12 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.29 4.32 -0.11 1.61 0.41 0.04 -5.07 118.70 119.60 2jrh s GLU 13 Ca 0.00 0.92 -0.03 0.00 -0.41 0.00 0.00 54.97 55.45 2jrh s GLU 13 Cb 0.00 -3.00 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 2jrh s GLU 13 CO 0.00 0.46 0.02 1.03 -0.49 0.00 0.00 175.26 176.28 2jrh s ARG 14 N -1.71 3.22 -0.03 1.61 0.52 -1.26 -1.99 118.95 119.31 2jrh s ARG 14 Ca 0.40 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2jrh s ARG 14 Cb -0.18 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.40 2jrh s ARG 14 CO 0.22 0.61 -0.06 1.03 0.02 0.00 0.00 175.30 177.12 2jrh s ARG 15 N -0.62 0.80 -0.24 3.54 1.81 -0.64 -4.99 118.95 118.62 2jrh s ARG 15 Ca 0.10 -0.19 -0.02 0.00 -1.72 0.00 0.00 55.73 53.90 2jrh s ARG 15 Cb -0.12 -0.78 0.01 0.00 -0.45 0.00 0.00 34.95 33.62 2jrh s ARG 15 CO 0.02 0.02 -0.06 0.42 -0.68 0.00 0.00 175.30 175.03 2jrh s ILE 16 N 0.46 3.04 -0.06 1.52 1.09 -1.26 -1.37 121.20 124.63 2jrh s ILE 16 Ca -0.06 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.70 2jrh s ILE 16 Cb -0.10 -2.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.84 2jrh s ILE 16 CO 0.00 0.30 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.40 2jrh s ILE 17 N 1.39 1.07 -0.01 2.92 1.01 -0.77 -5.00 121.20 121.80 2jrh s ILE 17 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2jrh s ILE 17 Cb -0.15 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2jrh s ILE 17 CO -0.04 0.34 0.12 0.00 0.00 0.00 0.00 174.94 175.35 2jrh s ALA 18 N 0.55 3.72 -0.09 9.38 0.00 -1.26 -0.77 121.76 133.28 2jrh s ALA 18 Ca -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2jrh s ALA 18 Cb -0.14 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.32 2jrh s ALA 18 CO 0.03 0.71 0.06 -0.06 0.00 0.00 0.00 175.76 176.49 2jrh s PHE 19 N -1.23 0.26 0.15 0.00 0.08 -0.81 -4.94 117.98 111.49 2jrh s PHE 19 Ca 0.24 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 2jrh s PHE 19 Cb -0.12 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 2jrh s PHE 19 CO 0.15 -0.32 0.99 -1.54 -0.10 0.00 0.00 175.22 174.40 2jrh s SER 20 N 2.11 7.47 0.55 1.36 1.04 -1.26 -0.57 113.70 124.39 2jrh s SER 20 Ca 0.04 1.89 -0.18 0.00 0.48 0.00 0.00 55.95 58.18 2jrh s SER 20 Cb -0.13 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 2jrh s SER 20 CO -0.05 -0.06 1.05 -0.13 0.98 0.00 0.00 173.24 175.02 2jrh s ARG 21 N -0.29 3.55 0.06 4.02 0.52 0.98 -3.93 118.95 123.85 2jrh s ARG 21 Ca 0.46 1.25 -0.31 0.00 -0.52 0.00 0.00 55.73 56.62 2jrh s ARG 21 Cb -0.25 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.10 2jrh s ARG 21 CO 0.31 -0.63 1.26 -2.14 0.02 0.00 0.00 175.30 174.13 2jrh s PRO 22 N -3.74 4.38 -0.30 3.54 0.02 -1.26 -4.88 135.00 132.76 2jrh s PRO 22 Ca 0.65 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 2jrh s PRO 22 Cb -0.16 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 2jrh s PRO 22 CO 0.30 -0.35 0.21 0.54 -0.33 0.00 0.00 177.00 177.37 2jrh s VAL 23 N 1.32 5.30 -0.08 3.83 0.11 -1.25 -5.07 120.40 124.56 2jrh s VAL 23 Ca 0.60 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.55 2jrh s VAL 23 Cb -0.31 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 2jrh s VAL 23 CO 0.28 0.18 0.50 -0.54 -3.33 0.00 0.00 175.10 172.19 2jrh s LYS 24 N 1.76 4.28 0.26 1.54 -0.14 -1.26 -4.98 119.74 121.20 2jrh s LYS 24 Ca 0.07 0.51 -0.02 0.00 -1.36 0.00 0.00 55.97 55.17 2jrh s LYS 24 Cb -0.16 -3.39 0.47 0.00 -1.68 0.00 0.00 37.83 33.07 2jrh s LYS 24 CO 0.11 0.27 1.81 -0.92 -0.76 0.00 0.00 175.35 175.86 2jrh h TYR 25 N 6.21 0.93 -0.49 3.18 5.03 -1.98 -0.64 116.97 129.23 2jrh h TYR 25 Ca -0.43 0.03 0.01 0.00 2.58 0.00 0.00 58.73 60.92 2jrh h TYR 25 Cb 1.19 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 39.15 2jrh h TYR 25 CO 0.64 0.35 0.31 0.93 -1.32 0.00 0.00 178.16 179.07 2jrh h GLU 26 N 0.83 0.60 -0.35 1.82 5.08 -1.99 0.14 114.58 120.71 2jrh h GLU 26 Ca 0.44 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 2jrh h GLU 26 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jrh h GLU 26 CO -0.27 0.40 0.03 -0.44 -1.00 0.00 0.00 179.01 177.72 2jrh h ASP 27 N 0.62 0.58 -0.17 1.42 3.32 -1.72 -0.88 116.42 119.59 2jrh h ASP 27 Ca 0.19 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2jrh h ASP 27 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2jrh h ASP 27 CO -0.07 0.72 0.07 0.58 -1.72 0.00 0.00 179.24 178.82 2jrh h VAL 28 N 0.42 1.15 -0.81 -1.35 2.07 -0.89 -2.27 116.25 114.56 2jrh h VAL 28 Ca 0.10 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jrh h VAL 28 Cb 0.40 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2jrh h VAL 28 CO 0.01 0.14 0.49 -0.08 0.02 0.00 0.00 177.57 178.15 2jrh h GLU 29 N 0.13 1.09 -0.28 1.57 4.81 -0.69 0.13 114.58 121.34 2jrh h GLU 29 Ca 0.06 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2jrh h GLU 29 Cb 0.15 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2jrh h GLU 29 CO -0.01 0.76 0.07 1.25 -0.73 0.00 0.00 179.01 180.36 2jrh h HIS 30 N 1.10 0.13 -0.02 0.92 2.76 -0.96 0.28 115.15 119.36 2jrh h HIS 30 Ca 0.29 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2jrh h HIS 30 Cb -0.05 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 2jrh h HIS 30 CO -0.01 0.05 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.44 2jrh h LYS 31 N 0.19 0.05 -0.58 5.26 3.64 -1.14 -1.22 116.57 122.77 2jrh h LYS 31 Ca 0.12 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2jrh h LYS 31 Cb 0.11 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2jrh h LYS 31 CO -0.15 0.47 0.34 0.28 -2.27 0.00 0.00 179.45 178.12 2jrh h VAL 32 N -0.37 1.05 -0.54 2.00 2.07 -0.85 0.27 116.25 119.88 2jrh h VAL 32 Ca 0.00 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2jrh h VAL 32 Cb 0.45 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2jrh h VAL 32 CO 0.00 0.12 -0.08 0.74 0.02 0.00 0.00 177.57 178.38 2jrh h THR 33 N 0.67 1.27 -0.16 2.57 2.02 -0.46 -1.53 112.91 117.28 2jrh h THR 33 Ca 0.24 -1.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 2jrh h THR 33 Cb 0.04 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2jrh h THR 33 CO -0.11 0.43 -0.43 0.74 0.37 0.00 0.00 175.52 176.52 2jrh h THR 34 N 0.90 1.34 0.11 3.16 2.02 -0.78 0.62 112.91 120.28 2jrh h THR 34 Ca 0.15 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2jrh h THR 34 Cb 0.63 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2jrh h THR 34 CO 0.04 0.52 -0.05 0.58 0.37 0.00 0.00 175.52 176.98 2jrh h VAL 35 N 0.23 1.03 0.00 3.16 2.07 -0.46 -3.21 116.25 119.07 2jrh h VAL 35 Ca -0.01 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jrh h VAL 35 Cb 1.05 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2jrh h VAL 35 CO 0.09 0.13 -0.40 -0.26 0.02 0.00 0.00 177.57 177.15 2jrh h PHE 36 N -0.39 0.00 0.00 1.57 0.04 -1.38 -3.51 116.94 113.27 2jrh h PHE 36 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2jrh h PHE 36 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2jrh h PHE 36 CO 0.01 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 2jrh n GLY 37 N 1.14 -4.34 3.06 -1.45 0.00 0.22 -5.05 105.19 98.77 2jrh n GLY 37 Ca 0.02 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.98 0.53 0.08 1.61 -2.07 -1.25 -4.16 119.66 113.42 2jrh s GLN 38 Ca 0.00 -1.01 -0.24 0.00 -1.82 0.00 0.00 55.36 52.29 2jrh s GLN 38 Cb 0.00 0.13 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 2jrh s GLN 38 CO 0.00 -0.08 0.72 -1.25 -1.32 0.00 0.00 175.29 173.36 2jrh s PRO 39 N -3.02 4.45 -0.03 9.60 0.04 -1.26 -5.06 135.00 139.72 2jrh s PRO 39 Ca -0.01 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2jrh s PRO 39 Cb 0.01 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2jrh s PRO 39 CO -0.06 0.43 0.00 -0.51 0.04 0.00 0.00 177.00 176.90 2jrh s LEU 40 N -0.56 1.18 -0.11 -3.56 1.43 -1.26 -3.85 118.68 111.96 2jrh s LEU 40 Ca 0.35 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2jrh s LEU 40 Cb -0.21 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 2jrh s LEU 40 CO 0.23 -0.10 0.07 -1.81 0.23 0.00 0.00 176.35 174.96 2jrh s ASP 41 N 1.00 5.76 -0.42 2.29 1.01 -1.21 -4.98 116.67 120.12 2jrh s ASP 41 Ca -0.10 0.27 -0.18 0.00 0.71 0.00 0.00 52.55 53.25 2jrh s ASP 41 Cb -0.13 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.04 2jrh s ASP 41 CO -0.02 0.37 0.48 -0.76 0.21 0.00 0.00 175.17 175.45 2jrh s LEU 42 N -0.79 4.76 -0.17 1.23 1.43 -1.26 -2.94 118.68 120.92 2jrh s LEU 42 Ca 0.13 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2jrh s LEU 42 Cb -0.12 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2jrh s LEU 42 CO 0.03 -0.61 -0.06 -2.28 0.23 0.00 0.00 176.35 173.66 2jrh s HIS 43 N 2.28 2.95 -0.15 0.29 2.46 -0.25 -3.89 115.29 118.98 2jrh s HIS 43 Ca 0.14 -0.58 -0.21 0.00 0.47 0.00 0.00 55.06 54.89 2jrh s HIS 43 Cb -0.16 -1.98 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 2jrh s HIS 43 CO 0.15 -0.24 0.61 -0.47 -2.47 0.00 0.00 174.74 172.32 2jrh s TYR 44 N 0.73 3.45 -0.12 3.88 6.14 0.47 -1.04 117.35 130.86 2jrh s TYR 44 Ca -0.03 0.99 -0.01 0.00 0.64 0.00 0.00 57.07 58.67 2jrh s TYR 44 Cb -0.15 -2.75 0.03 0.00 0.42 0.00 0.00 41.96 39.52 2jrh s TYR 44 CO 0.02 -0.04 -0.05 1.41 0.64 0.00 0.00 175.55 177.53 2jrh s MET 45 N 1.38 1.23 -0.12 4.97 1.75 -1.22 0.10 119.30 127.40 2jrh s MET 45 Ca 0.30 -0.22 -0.06 0.00 -1.25 0.00 0.00 55.69 54.46 2jrh s MET 45 Cb -0.16 -1.54 -0.03 0.00 2.84 0.00 0.00 34.83 35.93 2jrh s MET 45 CO 0.12 -0.33 0.00 -0.91 -0.65 0.00 0.00 175.02 173.25 2jrh h ASN 46 N 8.21 0.00 0.00 1.11 2.35 -1.80 -3.45 115.58 121.99 2jrh h ASN 46 Ca -0.25 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2jrh h ASN 46 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2jrh h ASN 46 CO 0.37 0.65 0.00 0.59 -1.65 0.00 0.00 177.43 177.39 2jrh n ASN 47 N -4.70 -0.24 -0.05 5.81 4.13 -1.26 -4.98 115.26 113.96 2jrh n ASN 47 Ca -0.04 0.14 -0.06 0.00 1.68 0.00 0.00 54.58 56.30 2jrh n ASN 47 Cb 0.14 0.40 -0.08 0.00 -1.54 0.00 0.00 39.78 38.70 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jrh n GLU 48 N -2.35 2.13 -4.24 3.52 -0.58 -1.26 -5.03 120.64 112.83 2jrh n GLU 48 Ca 0.00 -0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2jrh n GLU 48 Cb 0.00 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 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 -4.85 3.17 -0.12 -4.62 1.02 -1.26 -5.13 118.68 106.89 2jrh s LEU 49 Ca -0.06 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.63 2jrh s LEU 49 Cb 0.03 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.42 2jrh s LEU 49 CO 0.43 0.09 -0.21 -0.44 0.02 0.00 0.00 176.35 176.24 2jrh s SER 50 N -2.93 2.93 -0.10 2.29 0.01 -1.26 -2.69 113.70 111.96 2jrh s SER 50 Ca 0.27 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2jrh s SER 50 Cb -0.09 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 2jrh s SER 50 CO 0.17 0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 173.15 2jrh s ILE 51 N 0.70 3.12 -0.20 1.44 -1.09 0.11 -5.00 121.20 120.28 2jrh s ILE 51 Ca -0.11 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.51 2jrh s ILE 51 Cb -0.16 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2jrh s ILE 51 CO 0.02 0.55 0.29 -0.76 -1.23 0.00 0.00 174.94 173.81 2jrh s LEU 52 N -0.14 4.17 -0.91 2.97 1.43 -1.26 -0.40 118.68 124.54 2jrh s LEU 52 Ca -0.01 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2jrh s LEU 52 Cb -0.14 -2.35 0.23 0.00 0.03 0.00 0.00 46.19 43.97 2jrh s LEU 52 CO 0.03 0.02 0.88 -1.48 0.23 0.00 0.00 176.35 176.04 2jrh s LEU 53 N 0.98 6.56 -0.17 1.79 2.34 -1.25 -4.76 118.68 124.16 2jrh s LEU 53 Ca 0.15 -2.91 0.08 0.00 0.06 0.00 0.00 54.13 51.51 2jrh s LEU 53 Cb -0.14 -2.22 -0.16 0.00 -0.56 0.00 0.00 46.19 43.11 2jrh s LEU 53 CO 0.05 -0.52 -0.04 0.29 -1.06 0.00 0.00 176.35 175.07 2jrh n LYS 54 N 3.78 1.09 -3.81 1.48 5.02 -1.26 -4.87 118.16 119.58 2jrh n LYS 54 Ca 0.17 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.30 2jrh n LYS 54 Cb 0.45 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 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 -5.29 5.62 0.26 4.39 -0.87 -1.26 -5.02 114.94 112.76 2jrh s ASN 55 Ca -0.15 -0.31 -0.03 0.00 -1.57 0.00 0.00 52.86 50.80 2jrh s ASN 55 Cb 0.05 -1.22 0.33 0.00 -0.02 0.00 0.00 41.25 40.39 2jrh s ASN 55 CO 0.55 -0.28 1.82 -0.61 -2.57 0.00 0.00 177.10 176.02 2jrh h GLN 56 N 1.20 0.95 -0.83 -0.60 -0.00 -2.00 -2.61 115.11 111.22 2jrh h GLN 56 Ca -0.47 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.65 58.01 2jrh h GLN 56 Cb 1.25 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 28.54 2jrh h GLN 56 CO 0.58 0.81 0.52 -0.44 0.00 0.00 0.00 178.83 180.29 2jrh h ASP 57 N 0.93 0.98 -0.01 -0.69 5.19 -1.98 -1.18 116.42 119.66 2jrh h ASP 57 Ca 0.21 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2jrh h ASP 57 Cb 0.24 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jrh h ASP 57 CO -0.01 0.74 0.00 0.44 -3.12 0.00 0.00 179.24 177.29 2jrh h ASP 58 N 1.14 0.01 -0.69 6.45 5.19 -1.83 0.29 116.42 126.98 2jrh h ASP 58 Ca 0.30 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 2jrh h ASP 58 Cb -0.07 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 2jrh h ASP 58 CO -0.06 0.04 0.23 0.25 -3.12 0.00 0.00 179.24 176.57 2jrh h LEU 59 N -0.02 1.00 -0.74 1.55 5.85 -1.40 -2.46 115.31 119.09 2jrh h LEU 59 Ca 0.00 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2jrh h LEU 59 Cb 0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2jrh h LEU 59 CO -0.00 0.93 -0.15 -0.78 -0.34 0.00 0.00 178.44 178.10 2jrh h ASP 60 N 1.01 0.80 -0.78 1.25 3.58 -0.99 -2.94 116.42 118.35 2jrh h ASP 60 Ca 0.22 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2jrh h ASP 60 Cb 0.29 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 2jrh h ASP 60 CO -0.01 0.96 0.35 0.11 -2.88 0.00 0.00 179.24 177.77 2jrh h LYS 61 N 0.72 1.15 -0.64 0.28 1.79 -0.17 -2.30 116.57 117.39 2jrh h LYS 61 Ca 0.11 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 2jrh h LYS 61 Cb 0.66 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2jrh h LYS 61 CO 0.05 0.90 0.19 0.00 -1.08 0.00 0.00 179.45 179.51 2jrh h ALA 62 N 1.25 1.13 -0.54 3.86 0.00 -1.28 -2.84 119.26 120.84 2jrh h ALA 62 Ca 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jrh h ALA 62 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jrh h ALA 62 CO -0.03 0.60 0.06 0.82 0.00 0.00 0.00 179.25 180.70 2jrh h ILE 63 N 0.94 1.26 -0.99 0.00 2.04 -1.29 -2.89 117.51 116.58 2jrh h ILE 63 Ca 0.21 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 65.19 2jrh h ILE 63 Cb 0.29 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2jrh h ILE 63 CO -0.01 0.36 0.62 0.44 0.00 0.00 0.00 178.15 179.57 2jrh h ASP 64 N 0.79 0.89 -0.56 1.72 5.19 -1.19 -0.53 116.42 122.73 2jrh h ASP 64 Ca 0.16 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 2jrh h ASP 64 Cb 0.44 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2jrh h ASP 64 CO 0.02 0.47 0.10 0.40 -3.12 0.00 0.00 179.24 177.10 2jrh h ILE 65 N 0.95 1.25 -0.35 0.35 2.04 -1.40 -2.73 117.51 117.62 2jrh h ILE 65 Ca 0.49 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2jrh h ILE 65 Cb 0.53 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2jrh h ILE 65 CO -0.26 0.36 0.10 -0.07 0.00 0.00 0.00 178.15 178.28 2jrh h LEU 66 N 0.91 0.51 -1.74 1.44 3.38 -1.01 -2.71 115.31 116.08 2jrh h LEU 66 Ca 0.19 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jrh h LEU 66 Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jrh h LEU 66 CO 0.01 0.59 0.23 0.44 0.09 0.00 0.00 178.44 179.80 2jrh h ASP 67 N 0.41 0.29 0.14 -0.43 5.19 -1.19 -1.28 116.42 119.55 2jrh h ASP 67 Ca 0.11 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.45 2jrh h ASP 67 Cb 0.26 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 2jrh h ASP 67 CO -0.00 0.20 -0.25 0.03 -3.12 0.00 0.00 179.24 176.10 2jrh h ARG 68 N 0.34 0.20 -4.65 3.56 3.08 -1.18 -3.40 114.38 112.33 2jrh h ARG 68 Ca 0.14 -0.06 -0.70 0.00 0.07 0.00 0.00 59.98 59.44 2jrh h ARG 68 Cb 0.15 -0.02 -0.23 0.00 0.08 0.00 0.00 29.97 29.95 2jrh h ARG 68 CO -0.03 0.44 -0.52 0.45 -1.07 0.00 0.00 179.97 179.24 2jrh s SER 69 N -6.89 5.71 0.43 7.04 0.15 -0.48 -4.96 113.70 114.69 2jrh s SER 69 Ca -0.05 -0.82 0.09 0.00 0.70 0.00 0.00 55.95 55.87 2jrh s SER 69 Cb 0.15 -2.03 0.94 0.00 -1.71 0.00 0.00 66.02 63.36 2jrh s SER 69 CO 0.74 -0.32 2.07 0.28 1.20 0.00 0.00 173.24 177.21 2jrh h SER 70 N 8.42 0.39 0.00 5.45 0.02 -1.78 -3.28 113.55 122.77 2jrh h SER 70 Ca -0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2jrh h SER 70 Cb 1.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2jrh h SER 70 CO 0.65 0.28 0.00 -1.54 -1.14 0.00 0.00 176.83 175.08 2jrh n SER 71 N -4.48 0.00 -4.58 3.07 3.41 -1.26 -4.65 113.62 105.12 2jrh n SER 71 Ca 0.03 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.85 2jrh n SER 71 Cb 0.09 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 2jrh n SER 71 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2jrh s MET 72 N -1.57 3.32 -0.06 4.33 1.00 -1.24 -4.78 119.30 120.30 2jrh s MET 72 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 55.69 56.38 2jrh s MET 72 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 34.83 30.65 2jrh s MET 72 CO 0.00 -1.90 -0.03 0.36 0.00 0.00 0.00 175.02 173.45 2jrh n LYS 73 N 8.54 1.40 -1.16 2.03 2.85 -1.26 -4.57 118.16 125.98 2jrh n LYS 73 Ca 0.15 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 57.15 2jrh n LYS 73 Cb 0.49 -1.14 0.18 0.00 -0.65 0.00 0.00 35.03 33.92 2jrh n LYS 73 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jrh s SER 74 N -4.24 2.44 -0.10 -5.58 0.15 -1.26 -4.73 113.70 100.38 2jrh s SER 74 Ca -0.06 1.13 0.02 0.00 0.70 0.00 0.00 55.95 57.73 2jrh s SER 74 Cb 0.02 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2jrh s SER 74 CO 0.18 -3.24 -0.15 -0.76 1.20 0.00 0.00 173.24 170.48 2jrh s LEU 75 N -6.51 2.64 -1.03 3.45 1.02 -1.00 -4.95 118.68 112.30 2jrh s LEU 75 Ca 0.66 -0.31 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 2jrh s LEU 75 Cb -0.18 -1.56 0.26 0.00 0.02 0.00 0.00 46.19 44.72 2jrh s LEU 75 CO 0.58 0.23 0.99 -0.13 0.02 0.00 0.00 176.35 178.03 2jrh s ARG 76 N -0.03 3.91 -0.17 1.70 0.52 -1.26 -0.91 118.95 122.71 2jrh s ARG 76 Ca -0.04 -3.15 -0.06 0.00 -0.52 0.00 0.00 55.73 51.97 2jrh s ARG 76 Cb -0.14 -4.39 -0.03 0.00 0.52 0.00 0.00 34.95 30.90 2jrh s ARG 76 CO 0.04 -1.25 0.01 0.42 0.02 0.00 0.00 175.30 174.55 2jrh s ILE 77 N -1.12 4.33 -0.13 1.52 1.01 -0.98 -3.39 121.20 122.44 2jrh s ILE 77 Ca 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 2jrh s ILE 77 Cb -0.10 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2jrh s ILE 77 CO -0.09 0.47 -0.04 -1.48 0.00 0.00 0.00 174.94 173.81 2jrh s LEU 78 N 0.40 3.27 -0.10 2.97 0.05 -0.20 -2.43 118.68 122.64 2jrh s LEU 78 Ca -0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 54.13 54.09 2jrh s LEU 78 Cb -0.13 -1.77 -0.03 0.00 -2.05 0.00 0.00 46.19 42.21 2jrh s LEU 78 CO 0.02 0.22 -0.08 -1.48 -0.55 0.00 0.00 176.35 174.48 2jrh s LEU 79 N 0.04 3.06 0.05 1.48 0.05 -1.12 -1.09 118.68 121.15 2jrh s LEU 79 Ca 0.00 -0.12 0.06 0.00 0.05 0.00 0.00 54.13 54.12 2jrh s LEU 79 Cb -0.13 -1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 42.29 2jrh s LEU 79 CO 0.03 0.28 -0.10 -0.76 -0.55 0.00 0.00 176.35 175.25 2jrh s LEU 80 N -0.33 3.03 0.12 1.48 1.43 -1.15 -4.71 118.68 118.55 2jrh s LEU 80 Ca 0.04 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2jrh s LEU 80 Cb -0.13 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2jrh s LEU 80 CO 0.02 0.23 0.40 -0.55 0.23 0.00 0.00 176.35 176.68 2jrh s SER 81 N -1.77 6.56 0.00 2.29 0.15 -1.26 -3.30 113.70 116.37 2jrh s SER 81 Ca 0.19 0.70 0.15 0.00 0.70 0.00 0.00 55.95 57.69 2jrh s SER 81 Cb -0.11 -2.14 0.90 0.00 -1.71 0.00 0.00 66.02 62.96 2jrh s SER 81 CO 0.10 0.09 1.58 0.00 1.20 0.00 0.00 173.24 176.21 2jrh n GLN 82 N 0.42 1.01 -3.39 5.44 1.13 -1.25 -4.13 117.38 116.61 2jrh n GLN 82 Ca -0.05 -0.01 -0.26 0.00 -1.94 0.00 0.00 57.00 54.74 2jrh n GLN 82 Cb 0.52 -1.24 -0.08 0.00 0.11 0.00 0.00 30.24 29.55 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jrh n ASP 83 N -0.73 2.71 -2.45 1.08 8.00 -1.26 -4.94 116.55 118.96 2jrh n ASP 83 Ca 0.11 -3.22 -0.30 0.00 0.71 0.00 0.00 54.79 52.10 2jrh n ASP 83 Cb 0.05 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 2jrh n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jrh n ARG 84 N 1.10 2.43 -3.67 -1.24 3.00 -1.26 -4.95 116.66 112.08 2jrh n ARG 84 Ca 0.27 -2.69 -0.37 0.00 -0.01 0.00 0.00 57.85 55.05 2jrh n ARG 84 Cb 0.44 -2.10 -0.07 0.00 0.00 0.00 0.00 32.46 30.73 2jrh n ARG 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2jrh s ASN 85 N -0.49 6.47 0.31 0.55 -0.87 -1.26 -4.97 114.94 114.67 2jrh s ASN 85 Ca 0.53 0.56 0.00 0.00 -1.57 0.00 0.00 52.86 52.37 2jrh s ASN 85 Cb 0.40 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 2jrh s ASN 85 CO -0.19 0.26 0.00 0.18 -2.57 0.00 0.00 177.10 174.78 2jrh n LEU 86 N 2.67 -0.57 -2.75 0.60 4.77 -1.26 -5.02 117.00 115.45 2jrh n LEU 86 Ca -0.16 1.29 -0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2jrh n LEU 86 Cb 0.53 -3.14 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 2jrh n LEU 86 CO 0.36 -2.23 -0.50 -0.62 -1.33 0.00 0.00 177.39 173.07 2jrh n GLU 87 N -3.60 -3.36 -4.03 3.23 4.71 -1.26 -5.02 120.64 111.32 2jrh n GLU 87 Ca -0.02 2.70 -0.31 0.00 -0.01 0.00 0.00 57.16 59.52 2jrh n GLU 87 Cb 0.46 -5.17 -0.15 0.00 -1.01 0.00 0.00 31.44 25.57 2jrh n GLU 87 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2jrh s HIS 88 N -1.60 3.01 0.00 -0.32 2.46 -1.26 -4.98 115.29 112.60 2jrh s HIS 88 Ca 0.00 -2.17 0.00 0.00 0.47 0.00 0.00 55.06 53.36 2jrh s HIS 88 Cb -0.00 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 2jrh s HIS 88 CO 0.75 -0.85 0.00 1.58 -2.47 0.00 0.00 174.74 173.75 2jrh n HIS 89 N 4.50 0.00 -3.47 3.88 -0.00 -1.26 -5.08 115.22 113.79 2jrh n HIS 89 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.29 2jrh n HIS 89 Cb 0.43 0.02 0.02 0.00 -0.00 0.00 0.00 29.99 30.46 2jrh n HIS 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrh n HIS 90 N -1.15 -2.67 -4.74 1.57 -0.00 -1.26 -4.65 115.22 102.32 2jrh n HIS 90 Ca 0.00 1.10 0.00 0.00 0.46 0.00 0.00 57.72 59.28 2jrh n HIS 90 Cb 0.00 -2.41 0.00 0.00 -0.12 0.00 0.00 29.99 27.46 2jrh n HIS 90 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrh n HIS 91 N -0.83 -1.73 -3.66 1.57 8.25 -1.26 -4.95 115.22 112.61 2jrh n HIS 91 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 2jrh n HIS 91 Cb 0.65 0.22 -0.08 0.00 1.12 0.00 0.00 29.99 31.90 2jrh n HIS 91 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrh s HIS 92 N 0.00 -0.83 0.00 4.41 2.46 -1.26 -5.21 115.29 114.86 2jrh s HIS 92 Ca 0.00 1.76 0.00 0.00 0.47 0.00 0.00 55.06 57.29 2jrh s HIS 92 Cb 0.00 0.42 0.00 0.00 -0.13 0.00 0.00 32.58 32.87 2jrh s HIS 92 CO 0.00 -0.42 0.31 0.72 -2.47 0.00 0.00 174.74 172.88