#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 -5.71 -1.82 1.69 7.64 -1.26 -5.05 113.62 109.11 2jrh n SER 2 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2jrh n SER 2 Cb 0.00 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 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 -3.69 -7.47 -4.56 6.43 8.00 -1.26 -5.00 116.55 109.01 2jrh n ASP 3 Ca -0.07 1.19 -0.34 0.00 0.71 0.00 0.00 54.79 56.28 2jrh n ASP 3 Cb 0.50 -4.13 -0.11 0.00 -0.02 0.00 0.00 41.12 37.36 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 -0.42 4.35 -0.33 2.53 1.01 -1.08 -4.91 120.40 121.55 2jrh s VAL 4 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2jrh s VAL 4 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2jrh s VAL 4 CO 0.00 0.46 0.79 -0.13 0.00 0.00 0.00 175.10 176.22 2jrh s ARG 5 N 0.48 3.87 -0.21 2.72 3.00 -1.26 -1.42 118.95 126.13 2jrh s ARG 5 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 55.73 56.12 2jrh s ARG 5 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 2jrh s ARG 5 CO 0.02 -0.76 0.07 0.42 0.00 0.00 0.00 175.30 175.04 2jrh s ILE 6 N 3.04 4.58 -0.32 1.52 -1.09 0.76 -3.72 121.20 125.97 2jrh s ILE 6 Ca 0.32 -0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.53 2jrh s ILE 6 Cb -0.14 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 2jrh s ILE 6 CO 0.15 0.40 0.21 -0.75 -1.23 0.00 0.00 174.94 173.72 2jrh s LYS 7 N 0.91 3.53 -0.13 2.79 2.20 -1.12 -1.36 119.74 126.57 2jrh s LYS 7 Ca 0.04 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2jrh s LYS 7 Cb -0.14 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.42 2jrh s LYS 7 CO 0.03 -0.40 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.51 2jrh s PHE 8 N 1.71 3.00 -0.07 4.03 0.08 -0.28 -3.09 117.98 123.36 2jrh s PHE 8 Ca 0.06 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.93 2jrh s PHE 8 Cb -0.17 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2jrh s PHE 8 CO 0.10 0.06 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.83 2jrh s GLU 9 N 0.04 2.74 -0.10 0.44 2.02 -1.20 -1.55 118.70 121.08 2jrh s GLU 9 Ca -0.00 -0.88 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 2jrh s GLU 9 Cb -0.13 -2.23 0.05 0.00 0.10 0.00 0.00 34.13 31.91 2jrh s GLU 9 CO 0.03 0.32 0.10 -1.58 0.02 0.00 0.00 175.26 174.15 2jrh s HIS 10 N -0.01 0.02 -1.46 1.61 2.46 -0.64 -3.35 115.29 113.93 2jrh s HIS 10 Ca -0.08 0.15 -0.07 0.00 0.47 0.00 0.00 55.06 55.53 2jrh s HIS 10 Cb -0.15 -0.49 0.03 0.00 -0.13 0.00 0.00 32.58 31.84 2jrh s HIS 10 CO 0.05 -0.34 0.61 0.09 -2.47 0.00 0.00 174.74 172.68 2jrh n ASN 11 N 5.30 -5.28 0.00 9.88 3.02 -1.26 -1.15 115.26 125.77 2jrh n ASN 11 Ca -0.05 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2jrh n ASN 11 Cb 0.50 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 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 -1.43 2.96 3.75 7.41 0.00 -1.26 -5.04 105.19 111.58 2jrh n GLY 12 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.15 2.90 0.03 1.61 2.12 -0.30 -5.05 118.70 119.85 2jrh s GLU 13 Ca 0.00 1.85 0.07 0.00 0.36 0.00 0.00 54.97 57.25 2jrh s GLU 13 Cb 0.00 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 2jrh s GLU 13 CO 0.00 -1.27 -0.19 1.03 -0.54 0.00 0.00 175.26 174.29 2jrh s ARG 14 N -3.36 1.34 -0.14 4.30 0.52 -1.26 -1.62 118.95 118.74 2jrh s ARG 14 Ca 0.78 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 55.06 2jrh s ARG 14 Cb -0.31 -1.40 0.05 0.00 0.52 0.00 0.00 34.95 33.80 2jrh s ARG 14 CO 0.34 0.36 0.33 1.03 0.02 0.00 0.00 175.30 177.39 2jrh s ARG 15 N -0.99 0.33 -0.21 3.54 0.52 -0.60 -5.01 118.95 116.52 2jrh s ARG 15 Ca 0.06 0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.85 2jrh s ARG 15 Cb -0.08 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 2jrh s ARG 15 CO 0.01 -0.13 -0.01 0.42 0.02 0.00 0.00 175.30 175.61 2jrh s ILE 16 N 1.06 3.82 -0.05 1.52 1.01 -1.26 -1.12 121.20 126.18 2jrh s ILE 16 Ca -0.07 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2jrh s ILE 16 Cb -0.08 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.68 2jrh s ILE 16 CO -0.08 0.42 -0.06 -0.63 0.00 0.00 0.00 174.94 174.58 2jrh s ILE 17 N 1.19 0.67 -0.16 2.92 1.01 -0.46 -4.97 121.20 121.40 2jrh s ILE 17 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2jrh s ILE 17 Cb -0.15 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 2jrh s ILE 17 CO 0.01 0.25 0.24 0.00 0.00 0.00 0.00 174.94 175.43 2jrh s ALA 18 N 0.80 3.65 -0.24 9.38 0.00 -1.26 -0.17 121.76 133.92 2jrh s ALA 18 Ca -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2jrh s ALA 18 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2jrh s ALA 18 CO 0.01 0.17 -0.03 -0.06 0.00 0.00 0.00 175.76 175.84 2jrh s PHE 19 N 0.26 3.03 0.29 0.00 0.40 -0.51 -4.93 117.98 116.53 2jrh s PHE 19 Ca 0.14 -1.23 -0.29 0.00 -0.60 0.00 0.00 56.93 54.95 2jrh s PHE 19 Cb -0.12 -2.11 -0.10 0.00 0.51 0.00 0.00 43.02 41.20 2jrh s PHE 19 CO 0.02 -0.64 1.14 -1.12 0.70 0.00 0.00 175.22 175.32 2jrh s SER 20 N 1.41 7.16 0.56 1.36 0.01 -1.26 -2.62 113.70 120.31 2jrh s SER 20 Ca 0.03 2.35 -0.19 0.00 1.31 0.00 0.00 55.95 59.45 2jrh s SER 20 Cb -0.16 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.39 2jrh s SER 20 CO -0.03 -0.23 1.11 -0.13 0.41 0.00 0.00 173.24 174.38 2jrh s ARG 21 N -1.53 3.32 0.08 12.44 3.00 -1.26 -3.99 118.95 131.01 2jrh s ARG 21 Ca 0.46 1.54 -0.30 0.00 0.00 0.00 0.00 55.73 57.42 2jrh s ARG 21 Cb -0.33 -2.01 -0.05 0.00 0.00 0.00 0.00 34.95 32.56 2jrh s ARG 21 CO 0.43 -0.86 1.05 -1.25 0.00 0.00 0.00 175.30 174.67 2jrh s PRO 22 N -3.43 4.57 -0.18 3.54 0.04 -1.26 -5.05 135.00 133.24 2jrh s PRO 22 Ca 0.71 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 2jrh s PRO 22 Cb -0.22 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 2jrh s PRO 22 CO 0.29 -0.00 0.60 0.54 0.04 0.00 0.00 177.00 178.47 2jrh s VAL 23 N 0.49 5.05 -0.10 -0.36 0.11 -1.26 -5.06 120.40 119.27 2jrh s VAL 23 Ca 0.52 1.14 0.01 0.00 -2.93 0.00 0.00 61.98 60.72 2jrh s VAL 23 Cb -0.25 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.65 2jrh s VAL 23 CO 0.30 0.15 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.56 2jrh s LYS 24 N 1.70 3.05 0.18 1.54 1.02 -1.26 -5.03 119.74 120.94 2jrh s LYS 24 Ca 0.28 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.48 2jrh s LYS 24 Cb -0.16 -2.57 0.13 0.00 -0.52 0.00 0.00 37.83 34.71 2jrh s LYS 24 CO 0.11 0.41 1.77 -0.92 -0.92 0.00 0.00 175.35 175.79 2jrh h TYR 25 N 6.08 0.36 -0.56 3.18 5.03 -1.97 -0.02 116.97 129.08 2jrh h TYR 25 Ca -0.36 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.01 2jrh h TYR 25 Cb 1.19 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.33 2jrh h TYR 25 CO 0.51 0.16 0.32 1.49 -1.32 0.00 0.00 178.16 179.32 2jrh h GLU 26 N 0.40 0.62 -0.36 1.82 4.81 -1.95 0.39 114.58 120.30 2jrh h GLU 26 Ca 0.21 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2jrh h GLU 26 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2jrh h GLU 26 CO -0.19 0.41 0.06 0.22 -0.73 0.00 0.00 179.01 178.78 2jrh h ASP 27 N 0.63 0.58 -0.14 1.04 1.82 -1.85 0.05 116.42 118.55 2jrh h ASP 27 Ca 0.23 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2jrh h ASP 27 Cb 0.06 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 2jrh h ASP 27 CO -0.12 0.69 -0.04 0.58 -1.61 0.00 0.00 179.24 178.74 2jrh h VAL 28 N 0.44 1.30 -0.58 2.25 2.07 -0.70 -2.54 116.25 118.48 2jrh h VAL 28 Ca 0.11 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2jrh h VAL 28 Cb 0.35 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2jrh h VAL 28 CO 0.01 0.30 0.38 -0.08 0.02 0.00 0.00 177.57 178.20 2jrh h GLU 29 N -0.03 0.75 -0.92 1.57 4.81 -0.20 -1.39 114.58 119.16 2jrh h GLU 29 Ca 0.03 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2jrh h GLU 29 Cb 0.48 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 2jrh h GLU 29 CO 0.02 0.50 0.60 1.25 -0.73 0.00 0.00 179.01 180.64 2jrh h HIS 30 N 0.77 1.09 -0.00 0.92 2.76 -0.94 0.62 115.15 120.37 2jrh h HIS 30 Ca 0.22 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2jrh h HIS 30 Cb -0.07 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.53 2jrh h HIS 30 CO -0.04 0.59 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.96 2jrh h LYS 31 N 1.09 0.00 -0.36 5.26 3.64 -0.98 -2.50 116.57 122.74 2jrh h LYS 31 Ca 0.39 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2jrh h LYS 31 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2jrh h LYS 31 CO -0.14 0.49 -0.09 0.28 -2.27 0.00 0.00 179.45 177.72 2jrh h VAL 32 N -0.49 1.28 -0.92 2.00 2.07 -1.01 -2.40 116.25 116.79 2jrh h VAL 32 Ca 0.00 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.37 2jrh h VAL 32 Cb 0.49 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2jrh h VAL 32 CO 0.00 0.38 0.61 0.00 0.02 0.00 0.00 177.57 178.58 2jrh h THR 33 N 0.48 1.22 -0.24 2.57 1.03 0.16 -2.11 112.91 116.03 2jrh h THR 33 Ca 0.09 -0.42 -0.20 0.00 -0.01 0.00 0.00 66.41 65.86 2jrh h THR 33 Cb 0.60 -0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 2jrh h THR 33 CO 0.04 0.23 -0.64 0.74 -0.01 0.00 0.00 175.52 175.87 2jrh h THR 34 N 1.23 1.27 0.57 0.00 2.02 -1.39 0.54 112.91 117.15 2jrh h THR 34 Ca 0.34 -1.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 2jrh h THR 34 Cb -0.12 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2jrh h THR 34 CO -0.08 0.59 -0.27 0.58 0.37 0.00 0.00 175.52 176.71 2jrh h VAL 35 N 0.62 0.44 0.00 3.16 2.07 -1.10 -3.18 116.25 118.26 2jrh h VAL 35 Ca -0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jrh h VAL 35 Cb 1.26 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2jrh h VAL 35 CO 0.14 0.01 -0.46 -0.26 0.02 0.00 0.00 177.57 177.01 2jrh h PHE 36 N -0.79 0.00 0.00 1.57 0.04 -1.49 -3.51 116.94 112.76 2jrh h PHE 36 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2jrh h PHE 36 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2jrh h PHE 36 CO -0.03 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 2jrh n GLY 37 N 1.14 -0.17 3.35 -1.45 0.00 0.19 -5.05 105.19 103.21 2jrh n GLY 37 Ca 0.02 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 2jrh n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jrh s GLN 38 N -1.18 1.35 0.29 1.61 -0.21 -1.25 -4.30 119.66 115.96 2jrh s GLN 38 Ca 0.00 -1.60 -0.20 0.00 0.02 0.00 0.00 55.36 53.58 2jrh s GLN 38 Cb 0.00 -1.14 -0.09 0.00 1.00 0.00 0.00 33.01 32.78 2jrh s GLN 38 CO 0.00 0.18 0.80 -1.25 -2.12 0.00 0.00 175.29 172.90 2jrh s PRO 39 N -3.64 4.27 0.02 2.91 0.04 -1.26 -5.13 135.00 132.20 2jrh s PRO 39 Ca 0.23 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.23 2jrh s PRO 39 Cb -0.01 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 2jrh s PRO 39 CO 0.07 0.27 -0.05 -0.51 0.04 0.00 0.00 177.00 176.82 2jrh s LEU 40 N -2.36 2.17 -0.08 -3.56 1.43 -1.26 -3.62 118.68 111.39 2jrh s LEU 40 Ca 0.49 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2jrh s LEU 40 Cb -0.15 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 2jrh s LEU 40 CO 0.20 -0.14 -0.18 -0.62 0.23 0.00 0.00 176.35 175.83 2jrh s ASP 41 N -1.04 3.66 -0.36 2.29 2.15 0.11 -4.83 116.67 118.65 2jrh s ASP 41 Ca -0.08 -0.36 -0.20 0.00 0.43 0.00 0.00 52.55 52.34 2jrh s ASP 41 Cb -0.07 -1.14 0.00 0.00 -0.30 0.00 0.00 42.92 41.41 2jrh s ASP 41 CO -0.00 0.24 0.62 -0.76 -0.17 0.00 0.00 175.17 175.10 2jrh s LEU 42 N -0.12 4.28 -0.29 -1.34 1.43 -1.26 -1.39 118.68 119.99 2jrh s LEU 42 Ca -0.03 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2jrh s LEU 42 Cb -0.14 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.37 2jrh s LEU 42 CO 0.04 -0.58 -0.01 -2.28 0.23 0.00 0.00 176.35 173.75 2jrh s HIS 43 N 2.66 3.21 -0.24 0.29 2.46 0.15 -3.94 115.29 119.88 2jrh s HIS 43 Ca 0.23 -1.73 -0.17 0.00 0.47 0.00 0.00 55.06 53.87 2jrh s HIS 43 Cb -0.15 -2.11 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 2jrh s HIS 43 CO 0.15 -0.77 0.46 -0.47 -2.47 0.00 0.00 174.74 171.64 2jrh s TYR 44 N 1.29 3.30 -0.07 3.88 6.14 -0.66 -0.36 117.35 130.87 2jrh s TYR 44 Ca -0.03 0.61 0.04 0.00 0.64 0.00 0.00 57.07 58.32 2jrh s TYR 44 Cb -0.19 -2.64 0.00 0.00 0.42 0.00 0.00 41.96 39.56 2jrh s TYR 44 CO -0.02 -0.18 -0.19 0.00 0.64 0.00 0.00 175.55 175.80 2jrh s MET 45 N 1.92 2.27 -0.25 4.97 0.23 -1.15 0.39 119.30 127.67 2jrh s MET 45 Ca 0.20 -0.68 -0.13 0.00 -1.03 0.00 0.00 55.69 54.05 2jrh s MET 45 Cb -0.15 -1.84 -0.15 0.00 -1.53 0.00 0.00 34.83 31.16 2jrh s MET 45 CO 0.09 0.18 -0.19 -1.71 -2.03 0.00 0.00 175.02 171.37 2jrh n ASN 46 N 3.41 1.95 0.00 -1.18 2.85 -1.14 -4.66 115.26 116.50 2jrh n ASN 46 Ca -0.20 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2jrh n ASN 46 Cb 0.52 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.76 2jrh n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jrh n ASN 47 N -4.09 0.00 -0.03 1.20 3.02 -1.26 -4.99 115.26 109.11 2jrh n ASN 47 Ca -0.48 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.07 2jrh n ASN 47 Cb 0.87 0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 40.31 2jrh n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2jrh n GLU 48 N -2.13 1.47 -4.13 3.52 4.07 -1.26 -5.00 120.64 117.19 2jrh n GLU 48 Ca 0.00 -0.05 -0.36 0.00 -0.06 0.00 0.00 57.16 56.70 2jrh n GLU 48 Cb 0.00 -1.26 -0.08 0.00 -0.06 0.00 0.00 31.44 30.04 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2jrh s LEU 49 N -4.33 3.97 -0.12 4.31 0.20 -1.26 -5.11 118.68 116.34 2jrh s LEU 49 Ca -0.05 0.29 -0.01 0.00 0.69 0.00 0.00 54.13 55.05 2jrh s LEU 49 Cb 0.05 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2jrh s LEU 49 CO 0.44 0.38 -0.10 -0.44 -0.29 0.00 0.00 176.35 176.34 2jrh s SER 50 N -1.06 4.29 -0.10 3.68 0.01 -1.26 -2.89 113.70 116.37 2jrh s SER 50 Ca 0.15 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.20 2jrh s SER 50 Cb -0.12 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 2jrh s SER 50 CO 0.05 0.21 -0.14 -0.63 0.41 0.00 0.00 173.24 173.13 2jrh s ILE 51 N 0.10 2.98 -0.25 1.44 -1.09 0.16 -4.99 121.20 119.55 2jrh s ILE 51 Ca -0.04 -0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 57.48 2jrh s ILE 51 Cb -0.14 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2jrh s ILE 51 CO 0.04 0.55 0.56 -0.22 -1.23 0.00 0.00 174.94 174.64 2jrh s LEU 52 N -0.07 4.07 -0.21 2.97 1.98 -1.26 -1.66 118.68 124.50 2jrh s LEU 52 Ca -0.03 0.62 -0.07 0.00 -2.89 0.00 0.00 54.13 51.76 2jrh s LEU 52 Cb -0.14 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 43.93 2jrh s LEU 52 CO 0.04 -0.30 0.07 -0.76 -1.89 0.00 0.00 176.35 173.51 2jrh s LEU 53 N 2.27 3.66 0.11 -0.68 1.43 -1.25 -4.94 118.68 119.27 2jrh s LEU 53 Ca 0.24 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2jrh s LEU 53 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2jrh s LEU 53 CO 0.09 0.07 0.00 1.17 0.23 0.00 0.00 176.35 177.91 2jrh n LYS 54 N 4.20 0.00 -3.40 1.70 4.81 -1.26 -4.71 118.16 119.49 2jrh n LYS 54 Ca -0.16 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.07 2jrh n LYS 54 Cb 0.52 -0.29 0.01 0.00 0.02 0.00 0.00 35.03 35.29 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2jrh s ASN 55 N -5.33 5.06 0.42 3.14 0.01 -1.26 -4.98 114.94 111.99 2jrh s ASN 55 Ca 0.00 -0.85 0.09 0.00 -0.71 0.00 0.00 52.86 51.39 2jrh s ASN 55 Cb 0.00 -0.09 0.91 0.00 0.41 0.00 0.00 41.25 42.48 2jrh s ASN 55 CO 0.00 -0.98 2.04 -0.61 -1.51 0.00 0.00 177.10 176.04 2jrh h GLN 56 N 0.65 0.49 -0.45 -0.60 5.75 -1.99 -2.52 115.11 116.45 2jrh h GLN 56 Ca -0.37 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.19 2jrh h GLN 56 Cb 1.28 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.65 2jrh h GLN 56 CO 0.51 0.33 0.02 -0.44 -2.65 0.00 0.00 178.83 176.59 2jrh h ASP 57 N 0.51 -0.15 -0.23 -0.69 5.19 -1.98 0.71 116.42 119.77 2jrh h ASP 57 Ca 0.18 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2jrh h ASP 57 Cb 0.10 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2jrh h ASP 57 CO -0.05 -0.04 0.09 0.44 -3.12 0.00 0.00 179.24 176.56 2jrh h ASP 58 N 0.13 0.31 -0.77 6.45 3.32 -1.82 -2.01 116.42 122.03 2jrh h ASP 58 Ca 0.22 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2jrh h ASP 58 Cb 0.32 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2jrh h ASP 58 CO -0.36 0.39 0.29 0.25 -1.72 0.00 0.00 179.24 178.10 2jrh h LEU 59 N 0.21 1.08 -0.61 1.55 5.85 -1.25 -2.27 115.31 119.87 2jrh h LEU 59 Ca 0.07 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2jrh h LEU 59 Cb 0.18 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2jrh h LEU 59 CO -0.01 0.97 0.34 0.44 -0.34 0.00 0.00 178.44 179.85 2jrh h ASP 60 N 1.13 0.76 -0.24 1.25 3.32 0.57 -2.26 116.42 120.95 2jrh h ASP 60 Ca 0.26 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2jrh h ASP 60 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2jrh h ASP 60 CO -0.02 0.63 -0.01 0.11 -1.72 0.00 0.00 179.24 178.23 2jrh h LYS 61 N 0.83 0.55 -0.43 3.56 1.57 -1.16 -2.50 116.57 119.00 2jrh h LYS 61 Ca 0.22 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2jrh h LYS 61 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2jrh h LYS 61 CO -0.04 0.58 0.11 0.00 -0.57 0.00 0.00 179.45 179.54 2jrh h ALA 62 N 1.47 1.39 -0.36 3.86 0.00 -0.84 -2.75 119.26 122.03 2jrh h ALA 62 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jrh h ALA 62 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jrh h ALA 62 CO 0.01 0.44 0.23 0.82 0.00 0.00 0.00 179.25 180.75 2jrh h ILE 63 N 0.62 1.07 -0.77 0.00 1.08 -1.06 -1.63 117.51 116.82 2jrh h ILE 63 Ca 0.14 -0.16 0.12 0.00 -0.39 0.00 0.00 64.86 64.57 2jrh h ILE 63 Cb 0.23 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2jrh h ILE 63 CO -0.00 0.09 0.38 -0.78 -0.69 0.00 0.00 178.15 177.14 2jrh h ASP 64 N 0.47 0.46 -0.46 1.72 1.82 -1.48 0.50 116.42 119.44 2jrh h ASP 64 Ca 0.14 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.80 2jrh h ASP 64 Cb -0.03 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 2jrh h ASP 64 CO -0.04 0.22 0.07 0.40 -1.61 0.00 0.00 179.24 178.28 2jrh h ILE 65 N 0.59 1.25 -0.08 2.25 2.04 -1.37 -1.55 117.51 120.63 2jrh h ILE 65 Ca 0.40 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2jrh h ILE 65 Cb 0.52 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2jrh h ILE 65 CO -0.33 0.32 -0.06 0.25 0.00 0.00 0.00 178.15 178.33 2jrh h LEU 66 N 0.64 0.20 -0.98 1.44 7.12 -0.35 -2.75 115.31 120.63 2jrh h LEU 66 Ca 0.14 -0.46 0.07 0.00 0.13 0.00 0.00 57.88 57.76 2jrh h LEU 66 Cb 0.39 -0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.40 2jrh h LEU 66 CO 0.01 0.61 0.63 0.44 -0.13 0.00 0.00 178.44 180.00 2jrh h ASP 67 N -0.22 1.00 0.46 1.25 5.19 -0.03 -1.56 116.42 122.51 2jrh h ASP 67 Ca 0.02 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2jrh h ASP 67 Cb 0.55 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2jrh h ASP 67 CO 0.02 0.63 -0.44 0.08 -3.12 0.00 0.00 179.24 176.41 2jrh h ARG 68 N 1.13 0.00 -6.28 3.56 0.11 -1.28 -3.42 114.38 108.20 2jrh h ARG 68 Ca 0.43 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.94 2jrh h ARG 68 Cb 0.19 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.23 2jrh h ARG 68 CO -0.18 0.44 0.94 -1.54 0.10 0.00 0.00 179.97 179.72 2jrh s SER 69 N -6.87 6.79 -0.06 0.08 1.04 -0.59 -4.92 113.70 109.16 2jrh s SER 69 Ca -0.02 1.34 -0.26 0.00 0.48 0.00 0.00 55.95 57.49 2jrh s SER 69 Cb 0.14 -2.54 -0.22 0.00 0.10 0.00 0.00 66.02 63.49 2jrh s SER 69 CO 0.73 -0.96 1.06 0.77 0.98 0.00 0.00 173.24 175.83 2jrh h SER 70 N 8.82 0.10 -0.14 7.02 4.64 -1.82 -3.34 113.55 128.82 2jrh h SER 70 Ca -0.25 -0.72 -0.01 0.00 -0.47 0.00 0.00 61.79 60.34 2jrh h SER 70 Cb 1.09 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2jrh h SER 70 CO 1.01 0.80 0.04 0.28 -0.87 0.00 0.00 176.83 178.09 2jrh h SER 71 N -0.60 0.21 -3.98 4.97 0.02 -1.95 -3.43 113.55 108.80 2jrh h SER 71 Ca -0.01 -0.21 -0.50 0.00 -0.84 0.00 0.00 61.79 60.23 2jrh h SER 71 Cb 0.80 -0.06 0.05 0.00 0.14 0.00 0.00 62.40 63.34 2jrh h SER 71 CO 0.02 0.37 0.48 -0.04 -1.14 0.00 0.00 176.83 176.51 2jrh s MET 72 N -5.37 3.93 0.05 3.45 1.00 -1.26 -4.94 119.30 116.16 2jrh s MET 72 Ca -0.14 1.74 0.00 0.00 0.00 0.00 0.00 55.69 57.29 2jrh s MET 72 Cb 0.06 -2.51 0.00 0.00 0.00 0.00 0.00 34.83 32.38 2jrh s MET 72 CO 0.70 -0.40 0.00 1.63 0.00 0.00 0.00 175.02 176.95 2jrh n LYS 73 N -0.24 0.00 -1.97 2.03 5.02 -1.26 -4.81 118.16 116.93 2jrh n LYS 73 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2jrh n LYS 73 Cb 0.48 -0.08 0.06 0.00 -0.02 0.00 0.00 35.03 35.46 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 -5.03 5.22 -0.22 4.39 0.01 -1.26 -4.93 113.70 111.87 2jrh s SER 74 Ca 0.00 0.96 -0.10 0.00 1.31 0.00 0.00 55.95 58.12 2jrh s SER 74 Cb 0.00 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 2jrh s SER 74 CO 0.00 -1.45 0.13 -0.76 0.41 0.00 0.00 173.24 171.57 2jrh s LEU 75 N -5.36 4.04 -1.12 2.44 1.43 -1.24 -4.98 118.68 113.88 2jrh s LEU 75 Ca 0.59 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.67 2jrh s LEU 75 Cb -0.11 -2.07 0.20 0.00 0.03 0.00 0.00 46.19 44.25 2jrh s LEU 75 CO 0.50 0.10 1.26 -0.13 0.23 0.00 0.00 176.35 178.31 2jrh s ARG 76 N 0.82 4.04 -0.31 1.70 0.52 -1.26 -2.79 118.95 121.66 2jrh s ARG 76 Ca 0.07 -2.67 -0.08 0.00 -0.52 0.00 0.00 55.73 52.53 2jrh s ARG 76 Cb -0.13 -4.86 0.01 0.00 0.52 0.00 0.00 34.95 30.49 2jrh s ARG 76 CO 0.02 -1.58 0.11 0.42 0.02 0.00 0.00 175.30 174.29 2jrh s ILE 77 N 0.78 4.13 -0.31 1.52 1.01 -1.18 -2.95 121.20 124.21 2jrh s ILE 77 Ca 0.36 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 2jrh s ILE 77 Cb -0.06 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2jrh s ILE 77 CO -0.04 0.03 0.19 -0.22 0.00 0.00 0.00 174.94 174.89 2jrh s LEU 78 N 1.52 4.18 -0.13 2.97 0.20 0.52 -3.26 118.68 124.68 2jrh s LEU 78 Ca 0.03 -0.33 -0.05 0.00 0.69 0.00 0.00 54.13 54.47 2jrh s LEU 78 Cb -0.18 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2jrh s LEU 78 CO 0.04 -0.16 0.04 -1.48 -0.29 0.00 0.00 176.35 174.50 2jrh s LEU 79 N 1.69 3.79 0.03 -0.68 2.34 -1.21 -0.67 118.68 123.96 2jrh s LEU 79 Ca 0.06 0.16 -0.00 0.00 0.06 0.00 0.00 54.13 54.41 2jrh s LEU 79 Cb -0.17 -1.91 -0.03 0.00 -0.56 0.00 0.00 46.19 43.52 2jrh s LEU 79 CO 0.09 0.30 -0.03 -1.48 -1.06 0.00 0.00 176.35 174.17 2jrh s LEU 80 N -0.40 2.36 0.37 1.48 2.34 -0.48 -4.69 118.68 119.65 2jrh s LEU 80 Ca 0.09 -0.74 -0.26 0.00 0.06 0.00 0.00 54.13 53.28 2jrh s LEU 80 Cb -0.12 0.15 -0.09 0.00 -0.56 0.00 0.00 46.19 45.57 2jrh s LEU 80 CO 0.02 -0.44 1.17 -0.44 -1.06 0.00 0.00 176.35 175.60 2jrh s SER 81 N -2.15 6.68 0.00 1.48 0.01 -1.26 0.04 113.70 118.50 2jrh s SER 81 Ca -0.05 2.37 0.17 0.00 1.31 0.00 0.00 55.95 59.75 2jrh s SER 81 Cb -0.02 -2.62 0.73 0.00 0.21 0.00 0.00 66.02 64.32 2jrh s SER 81 CO -0.05 -0.57 1.51 0.00 0.41 0.00 0.00 173.24 174.54 2jrh n GLN 82 N 0.34 1.46 -1.48 12.44 1.13 -1.24 -4.44 117.38 125.59 2jrh n GLN 82 Ca 0.03 -0.70 -0.33 0.00 -1.94 0.00 0.00 57.00 54.06 2jrh n GLN 82 Cb 0.46 -1.31 -0.05 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.05 7.64 -0.12 1.08 9.92 -1.26 -4.24 116.55 129.52 2jrh n ASP 83 Ca 0.13 -2.81 -0.17 0.00 -0.53 0.00 0.00 54.79 51.42 2jrh n ASP 83 Cb 0.22 -1.43 -0.11 0.00 -0.64 0.00 0.00 41.12 39.16 2jrh n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2jrh n ARG 84 N 2.48 0.58 0.04 -1.24 0.63 -1.26 -5.03 116.66 112.85 2jrh n ARG 84 Ca 0.64 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2jrh n ARG 84 Cb 0.40 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 -3.25 -0.66 -1.41 6.15 5.15 -1.26 -5.18 115.26 114.80 2jrh n ASN 85 Ca -0.42 0.17 0.18 0.00 -0.60 0.00 0.00 54.58 53.91 2jrh n ASN 85 Cb 0.93 0.93 -0.06 0.00 -0.53 0.00 0.00 39.78 41.05 2jrh n ASN 85 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2jrh n LEU 86 N -2.47 -0.83 0.02 1.20 4.32 -1.26 -5.04 117.00 112.93 2jrh n LEU 86 Ca 0.00 1.90 0.00 0.00 -0.02 0.00 0.00 56.01 57.89 2jrh n LEU 86 Cb 0.00 -4.51 0.00 0.00 -1.62 0.00 0.00 43.42 37.29 2jrh n LEU 86 CO 0.00 -3.05 0.00 1.21 -1.22 0.00 0.00 177.39 174.33 2jrh n GLU 87 N -4.25 0.00 -2.97 3.23 2.13 -1.26 -5.07 120.64 112.45 2jrh n GLU 87 Ca -0.03 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.76 2jrh n GLU 87 Cb 0.65 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.36 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 -2.00 -1.54 -0.08 4.31 2.46 -1.26 -5.01 115.29 112.17 2jrh s HIS 88 Ca 0.00 -0.32 -0.01 0.00 0.47 0.00 0.00 55.06 55.20 2jrh s HIS 88 Cb 0.00 0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.67 2jrh s HIS 88 CO 0.00 -1.22 -0.08 1.58 -2.47 0.00 0.00 174.74 172.55 2jrh n HIS 89 N 3.54 0.00 -1.32 3.88 -0.00 -1.26 -4.72 115.22 115.33 2jrh n HIS 89 Ca 0.16 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.11 2jrh n HIS 89 Cb 0.56 -0.29 -0.10 0.00 -0.12 0.00 0.00 29.99 30.05 2jrh n HIS 89 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrh n HIS 90 N -2.95 1.06 -2.35 1.57 -0.00 -1.26 -3.85 115.22 107.44 2jrh n HIS 90 Ca -0.14 -1.85 -0.03 0.00 0.46 0.00 0.00 57.72 56.16 2jrh n HIS 90 Cb 0.63 -1.52 0.04 0.00 -0.12 0.00 0.00 29.99 29.02 2jrh n HIS 90 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrh n HIS 91 N 1.61 -1.04 -3.84 1.57 -0.00 -1.26 -5.08 115.22 107.18 2jrh n HIS 91 Ca 0.48 -1.03 -0.30 0.00 -0.00 0.00 0.00 57.72 56.87 2jrh n HIS 91 Cb 0.67 1.02 -0.14 0.00 -0.00 0.00 0.00 29.99 31.54 2jrh n HIS 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrh s HIS 92 N 0.07 2.54 0.00 1.57 5.04 -1.25 -5.15 115.29 118.11 2jrh s HIS 92 Ca 0.05 -2.42 0.00 0.00 -1.54 0.00 0.00 55.06 51.15 2jrh s HIS 92 Cb 0.23 -2.24 0.00 0.00 0.04 0.00 0.00 32.58 30.61 2jrh s HIS 92 CO -0.07 -0.87 0.00 -2.39 -2.34 0.00 0.00 174.74 169.08