#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp s SER 8 N 0.00 5.37 0.01 1.61 1.04 -1.26 -5.08 113.70 115.39 2rpp s SER 8 Ca 0.00 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.95 2rpp s SER 8 Cb 0.00 -1.96 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 2rpp s SER 8 CO 0.00 -0.17 -0.12 -0.44 0.98 0.00 0.00 173.24 173.49 2rpp s SER 9 N 1.58 1.39 -0.54 7.02 0.01 -1.26 -5.06 113.70 116.84 2rpp s SER 9 Ca 0.04 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.03 2rpp s SER 9 Cb -0.17 -0.12 0.40 0.00 0.21 0.00 0.00 66.02 66.35 2rpp s SER 9 CO 0.05 0.08 1.34 0.61 0.41 0.00 0.00 173.24 175.73 2rpp n GLY 10 N 2.41 5.89 2.06 3.44 0.00 -1.26 -4.86 105.19 112.88 2rpp n GLY 10 Ca -0.16 -2.70 -0.15 0.00 0.00 0.00 0.00 46.02 43.02 2rpp n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rpp n SER 11 N -0.50 5.66 -4.30 1.61 7.64 -1.26 -4.86 113.62 117.61 2rpp n SER 11 Ca 0.43 -2.70 -0.30 0.00 1.01 0.00 0.00 58.87 57.31 2rpp n SER 11 Cb 0.56 -1.31 -0.15 0.00 -1.01 0.00 0.00 64.21 62.29 2rpp n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rpp s SER 12 N 1.45 2.97 0.00 6.43 0.01 -1.26 -5.13 113.70 118.16 2rpp s SER 12 Ca 0.54 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2rpp s SER 12 Cb 0.29 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2rpp s SER 12 CO -0.06 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2rpp n GLY 13 N 2.22 1.16 3.61 3.44 0.00 -1.26 -5.11 105.19 109.25 2rpp n GLY 13 Ca -0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2rpp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpp s PRO 14 N 4.21 -0.93 -0.13 1.61 0.04 -1.26 -5.01 135.00 133.54 2rpp s PRO 14 Ca 0.00 0.04 0.11 0.00 0.04 0.00 0.00 61.00 61.19 2rpp s PRO 14 Cb 0.00 -1.62 -0.23 0.00 0.04 0.00 0.00 34.50 32.68 2rpp s PRO 14 CO 0.00 -3.54 0.32 1.33 0.04 0.00 0.00 177.00 175.16 2rpp n VAL 15 N -4.66 1.54 -3.63 -0.36 0.24 -1.26 -4.97 118.33 105.24 2rpp n VAL 15 Ca 0.11 -0.78 -0.04 0.00 -2.04 0.00 0.00 64.34 61.60 2rpp n VAL 15 Cb 0.59 -0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 2rpp n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rpp s ARG 16 N -2.55 0.53 0.06 7.34 1.70 -1.26 -5.00 118.95 119.78 2rpp s ARG 16 Ca -0.12 0.96 0.00 0.00 -0.47 0.00 0.00 55.73 56.10 2rpp s ARG 16 Cb 0.07 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 2rpp s ARG 16 CO 0.80 -0.12 0.00 -0.25 -1.08 0.00 0.00 175.30 174.65 2rpp n ASP 17 N 4.16 0.40 -2.37 -2.89 8.00 -1.26 -4.89 116.55 117.69 2rpp n ASP 17 Ca -0.18 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.23 2rpp n ASP 17 Cb 0.57 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.61 2rpp n ASP 17 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2rpp n THR 18 N -3.18 2.07 -0.11 -3.53 -1.04 -1.26 -4.76 114.28 102.47 2rpp n THR 18 Ca 0.00 -4.03 -0.15 0.00 -2.04 0.00 0.00 64.05 57.83 2rpp n THR 18 Cb 0.22 -0.51 -0.12 0.00 -1.82 0.00 0.00 70.33 68.10 2rpp n THR 18 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2rpp n LYS 19 N -0.55 0.68 0.00 -2.82 4.81 -1.26 -4.39 118.16 114.63 2rpp n LYS 19 Ca 0.32 0.10 0.13 0.00 -0.87 0.00 0.00 58.31 57.99 2rpp n LYS 19 Cb 0.84 -1.49 0.38 0.00 0.02 0.00 0.00 35.03 34.78 2rpp n LYS 19 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2rpp n TRP 20 N -3.09 0.00 -1.56 5.64 4.27 -1.26 -3.99 117.44 117.45 2rpp n TRP 20 Ca -0.40 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 52.89 2rpp n TRP 20 Cb 1.00 -0.17 0.06 0.00 -1.36 0.00 0.00 31.31 30.84 2rpp n TRP 20 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2rpp n LEU 21 N -0.90 6.91 -4.58 5.67 4.77 -1.26 -4.83 117.00 122.78 2rpp n LEU 21 Ca 0.11 -4.46 -0.24 0.00 -0.03 0.00 0.00 56.01 51.39 2rpp n LEU 21 Cb 0.34 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 2rpp n LEU 21 CO 0.28 1.67 -0.36 0.42 -1.33 0.00 0.00 177.39 178.06 2rpp s THR 22 N -4.79 2.67 -0.11 -5.08 -4.23 -1.26 -0.44 115.64 102.40 2rpp s THR 22 Ca 0.60 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.85 2rpp s THR 22 Cb 0.48 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.70 2rpp s THR 22 CO -0.02 -0.28 0.39 -0.76 -0.54 0.00 0.00 174.62 173.41 2rpp s LEU 23 N -3.64 0.51 0.30 4.79 1.43 -0.18 -4.87 118.68 117.01 2rpp s LEU 23 Ca 0.33 0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 53.74 2rpp s LEU 23 Cb -0.02 1.42 -0.10 0.00 0.03 0.00 0.00 46.19 47.52 2rpp s LEU 23 CO 0.18 -0.25 1.36 -1.61 0.23 0.00 0.00 176.35 176.26 2rpp s GLU 24 N -0.30 4.31 -0.00 1.70 2.02 -1.26 -1.74 118.70 123.43 2rpp s GLU 24 Ca -0.04 2.26 -0.20 0.00 0.02 0.00 0.00 54.97 57.00 2rpp s GLU 24 Cb -0.03 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 2rpp s GLU 24 CO 0.02 -0.30 0.58 0.08 0.02 0.00 0.00 175.26 175.67 2rpp s VAL 25 N -0.65 4.91 -0.49 2.63 1.01 -1.26 -3.21 120.40 123.33 2rpp s VAL 25 Ca 0.53 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.46 2rpp s VAL 25 Cb -0.41 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2rpp s VAL 25 CO 0.49 0.43 1.76 0.00 0.00 0.00 0.00 175.10 177.78 2rpp h ARG 27 N 13.50 -0.01 -0.29 0.00 9.65 -1.94 -1.17 114.38 134.11 2rpp h ARG 27 Ca -0.29 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.63 2rpp h ARG 27 Cb 1.15 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.67 2rpp h ARG 27 CO 1.14 -0.01 -0.49 1.96 2.80 0.00 0.00 179.97 185.37 2rpp h GLN 28 N -0.01 -0.38 -0.78 0.20 7.50 -1.91 -1.03 115.11 118.71 2rpp h GLN 28 Ca 0.13 0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.46 2rpp h GLN 28 Cb 0.34 0.09 -0.15 0.00 0.05 0.00 0.00 27.48 27.81 2rpp h GLN 28 CO -0.75 -0.25 -0.20 0.34 -1.50 0.00 0.00 178.83 176.47 2rpp n PHE 29 N -5.05 0.28 0.02 2.96 7.35 -0.48 0.26 117.46 122.80 2rpp n PHE 29 Ca -0.04 0.95 -0.14 0.00 -0.76 0.00 0.00 57.45 57.46 2rpp n PHE 29 Cb 0.31 -0.95 -0.08 0.00 0.35 0.00 0.00 39.48 39.11 2rpp n PHE 29 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2rpp h GLN 30 N 0.00 -0.56 0.00 -4.13 4.20 -0.70 0.26 115.11 114.18 2rpp h GLN 30 Ca 0.37 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 2rpp h GLN 30 Cb 0.56 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 2rpp h GLN 30 CO -0.80 -0.37 -0.11 0.00 -0.67 0.00 0.00 178.83 176.88 2rpp h ARG 31 N -0.58 0.00 0.00 1.46 3.08 -0.09 -3.46 114.38 114.80 2rpp h ARG 31 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2rpp h ARG 31 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2rpp h ARG 31 CO -0.39 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.03 2rpp n GLY 32 N -0.47 1.13 1.57 0.04 0.00 0.11 -4.99 105.19 102.58 2rpp n GLY 32 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2rpp n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rpp n THR 33 N -2.01 2.80 -3.76 2.61 -2.24 -1.01 -4.87 114.28 105.79 2rpp n THR 33 Ca 0.00 -2.44 -0.36 0.00 -2.27 0.00 0.00 64.05 58.98 2rpp n THR 33 Cb 0.03 -0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 2rpp n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rpp n SER 35 N 4.06 4.83 -4.38 0.00 7.64 -1.26 -4.86 113.62 119.65 2rpp n SER 35 Ca 0.02 -2.78 -0.31 0.00 1.01 0.00 0.00 58.87 56.81 2rpp n SER 35 Cb 0.39 -0.86 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rpp s ARG 36 N -1.37 1.98 0.90 1.43 0.52 -1.26 -5.09 118.95 116.06 2rpp s ARG 36 Ca 0.23 -1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 2rpp s ARG 36 Cb 0.19 -2.08 0.22 0.00 0.52 0.00 0.00 34.95 33.80 2rpp s ARG 36 CO 0.02 0.54 1.00 0.45 0.02 0.00 0.00 175.30 177.33 2rpp n SER 37 N 1.86 -0.85 0.03 0.23 2.88 -1.26 -4.69 113.62 111.83 2rpp n SER 37 Ca -0.17 -1.23 -0.12 0.00 -1.33 0.00 0.00 58.87 56.02 2rpp n SER 37 Cb 0.52 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2rpp n SER 37 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2rpp h ASP 38 N -1.90 0.60 0.25 -3.46 3.04 -1.92 -0.62 116.42 112.40 2rpp h ASP 38 Ca -0.35 -0.40 0.00 0.00 -3.24 0.00 0.00 57.03 53.04 2rpp h ASP 38 Cb 1.00 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 2rpp h ASP 38 CO 0.24 1.16 -0.17 -1.84 -2.04 0.00 0.00 179.24 176.59 2rpp n GLU 39 N -3.85 0.89 -0.13 4.15 0.28 -1.26 -4.13 120.64 116.58 2rpp n GLU 39 Ca -0.05 -0.45 -0.28 0.00 -0.16 0.00 0.00 57.16 56.22 2rpp n GLU 39 Cb 0.73 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 32.01 2rpp n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2rpp n GLU 40 N -0.67 0.57 -2.66 3.44 4.07 -1.15 -4.96 120.64 119.28 2rpp n GLU 40 Ca 0.14 0.25 -0.40 0.00 -0.06 0.00 0.00 57.16 57.08 2rpp n GLU 40 Cb 0.32 -1.45 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rpp n LYS 42 N 1.86 1.25 -4.15 0.00 5.02 -1.26 -4.82 118.16 116.05 2rpp n LYS 42 Ca -0.00 -0.55 -0.10 0.00 -2.02 0.00 0.00 58.31 55.64 2rpp n LYS 42 Cb 0.47 -1.21 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2rpp s PHE 43 N -0.61 0.91 -0.18 2.13 0.40 -1.26 -5.08 117.98 114.29 2rpp s PHE 43 Ca 0.11 -1.25 -0.09 0.00 -0.60 0.00 0.00 56.93 55.09 2rpp s PHE 43 Cb 0.09 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 43.09 2rpp s PHE 43 CO 0.01 -0.55 0.14 0.00 0.70 0.00 0.00 175.22 175.51 2rpp s ALA 44 N -4.07 3.74 -0.47 5.36 0.00 -1.20 -4.91 121.76 120.20 2rpp s ALA 44 Ca 0.27 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.60 2rpp s ALA 44 Cb 0.07 -2.12 0.12 0.00 0.00 0.00 0.00 23.12 21.19 2rpp s ALA 44 CO 0.04 0.28 0.21 -1.01 0.00 0.00 0.00 175.76 175.27 2rpp s HIS 45 N 0.01 3.31 0.31 0.00 0.09 -1.26 -2.81 115.29 114.93 2rpp s HIS 45 Ca 0.10 -3.12 -0.29 0.00 -0.00 0.00 0.00 55.06 51.75 2rpp s HIS 45 Cb -0.11 -2.83 -0.10 0.00 -0.00 0.00 0.00 32.58 29.54 2rpp s HIS 45 CO -0.00 -0.79 1.23 -1.25 -0.00 0.00 0.00 174.74 173.92 2rpp s PRO 46 N 0.01 4.46 0.94 8.40 0.04 -1.26 -5.01 135.00 142.58 2rpp s PRO 46 Ca 0.16 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 2rpp s PRO 46 Cb -0.24 -3.12 0.15 0.00 0.04 0.00 0.00 34.50 31.33 2rpp s PRO 46 CO -0.02 -0.04 1.09 -1.25 0.04 0.00 0.00 177.00 176.82 2rpp s PRO 47 N -1.61 0.92 0.33 0.56 0.04 -1.26 -4.89 135.00 129.09 2rpp s PRO 47 Ca 0.48 0.70 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2rpp s PRO 47 Cb -0.37 -1.78 0.66 0.00 0.04 0.00 0.00 34.50 33.06 2rpp s PRO 47 CO 0.48 -2.44 1.91 -0.22 0.04 0.00 0.00 177.00 176.77 2rpp h LYS 48 N -1.69 0.84 -0.60 4.56 3.64 -2.02 -1.61 116.57 119.68 2rpp h LYS 48 Ca -0.51 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 2rpp h LYS 48 Cb 1.30 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2rpp h LYS 48 CO 0.56 0.55 0.11 0.77 -2.27 0.00 0.00 179.45 179.17 2rpp h SER 49 N 0.86 0.95 -3.24 4.20 0.02 -1.93 -3.43 113.55 110.99 2rpp h SER 49 Ca 0.38 -0.26 -0.53 0.00 -0.84 0.00 0.00 61.79 60.55 2rpp h SER 49 Cb 0.35 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.65 2rpp h SER 49 CO -0.15 0.97 0.62 0.00 -1.14 0.00 0.00 176.83 177.13 2rpp s GLN 51 N 0.55 4.64 -0.10 0.00 2.00 -1.06 -4.63 119.66 121.05 2rpp s GLN 51 Ca 0.59 1.58 -0.04 0.00 -2.00 0.00 0.00 55.36 55.49 2rpp s GLN 51 Cb -0.34 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 2rpp s GLN 51 CO 0.33 0.13 0.04 0.08 -0.50 0.00 0.00 175.29 175.37 2rpp s VAL 52 N -0.04 4.65 0.52 1.34 1.01 -1.26 -4.50 120.40 122.11 2rpp s VAL 52 Ca 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2rpp s VAL 52 Cb -0.26 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2rpp s VAL 52 CO 0.32 0.59 0.75 -0.70 0.00 0.00 0.00 175.10 176.07 2rpp s GLU 53 N -0.78 2.79 -0.43 2.72 -6.30 0.58 -4.96 118.70 112.32 2rpp s GLU 53 Ca 0.12 -0.55 -0.32 0.00 -2.50 0.00 0.00 54.97 51.72 2rpp s GLU 53 Cb -0.12 -2.48 -0.11 0.00 0.00 0.00 0.00 34.13 31.42 2rpp s GLU 53 CO 0.03 -0.54 2.29 -1.71 0.02 0.00 0.00 175.26 175.34 2rpp n ASN 54 N -2.28 2.07 -1.35 -1.70 5.15 -1.26 -0.81 115.26 115.09 2rpp n ASN 54 Ca 0.05 0.20 -0.14 0.00 -0.60 0.00 0.00 54.58 54.09 2rpp n ASN 54 Cb 0.59 -1.31 -0.06 0.00 -0.53 0.00 0.00 39.78 38.46 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rpp n GLY 55 N 6.37 1.32 3.50 8.20 0.00 -1.26 -4.88 105.19 118.45 2rpp n GLY 55 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 2rpp n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 56 N -3.14 1.35 0.01 1.61 3.52 0.01 -4.17 118.95 118.14 2rpp s ARG 56 Ca 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 2rpp s ARG 56 Cb 0.00 0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 2rpp s ARG 56 CO 0.00 -0.57 -0.02 0.54 -0.81 0.00 0.00 175.30 174.44 2rpp s VAL 57 N -3.86 0.08 0.04 7.11 0.11 -0.71 0.21 120.40 123.38 2rpp s VAL 57 Ca 0.08 -0.62 -0.16 0.00 -2.93 0.00 0.00 61.98 58.35 2rpp s VAL 57 Cb -0.01 -0.18 -0.06 0.00 -1.53 0.00 0.00 36.38 34.60 2rpp s VAL 57 CO -0.05 -0.34 0.47 -0.63 -3.33 0.00 0.00 175.10 171.22 2rpp s ILE 58 N -0.99 4.93 0.27 7.04 1.01 -1.26 -1.01 121.20 131.18 2rpp s ILE 58 Ca -0.11 0.93 -0.00 0.00 0.00 0.00 0.00 60.65 61.47 2rpp s ILE 58 Cb -0.07 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2rpp s ILE 58 CO -0.01 0.53 0.47 0.00 0.00 0.00 0.00 174.94 175.93 2rpp s ALA 59 N -1.13 3.76 0.28 9.38 0.00 0.41 -2.54 121.76 131.92 2rpp s ALA 59 Ca 0.27 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 2rpp s ALA 59 Cb -0.17 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 2rpp s ALA 59 CO 0.16 0.23 0.70 0.00 0.00 0.00 0.00 175.76 176.85 2rpp h PHE 61 N 2.59 -0.05 -0.02 0.00 3.04 -1.97 -3.35 116.94 117.19 2rpp h PHE 61 Ca -0.48 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.49 2rpp h PHE 61 Cb 1.18 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 2rpp h PHE 61 CO 0.62 0.50 -0.11 -0.44 -2.02 0.00 0.00 178.31 176.87 2rpp h ASP 62 N -0.96 -0.32 -1.94 0.41 5.19 -1.95 -1.66 116.42 115.19 2rpp h ASP 62 Ca -0.01 0.05 0.56 0.00 -0.62 0.00 0.00 57.03 57.02 2rpp h ASP 62 Cb 0.57 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.15 2rpp h ASP 62 CO 0.01 -0.16 1.42 0.77 -3.12 0.00 0.00 179.24 178.16 2rpp h SER 63 N -0.18 0.00 -0.49 6.45 4.64 -1.82 1.02 113.55 123.18 2rpp h SER 63 Ca 0.05 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2rpp h SER 63 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2rpp h SER 63 CO -0.12 0.00 0.31 -0.07 -0.87 0.00 0.00 176.83 176.07 2rpp h LEU 64 N 0.00 0.52 -1.50 5.97 3.38 -1.42 -1.81 115.31 120.45 2rpp h LEU 64 Ca 0.92 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.83 2rpp h LEU 64 Cb 3.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 44.38 2rpp h LEU 64 CO -0.01 0.37 -0.26 0.11 0.09 0.00 0.00 178.44 178.75 2rpp h LYS 65 N 0.62 0.00 0.00 1.13 1.79 0.96 -3.46 116.57 117.62 2rpp h LYS 65 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2rpp h LYS 65 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2rpp h LYS 65 CO -0.06 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.98 2rpp n GLY 66 N -0.65 1.76 2.80 3.86 0.00 -0.68 -5.06 105.19 107.22 2rpp n GLY 66 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2rpp n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpp s ARG 67 N -0.31 0.97 0.12 1.61 6.06 -1.26 -4.97 118.95 121.17 2rpp s ARG 67 Ca 0.00 -0.81 0.02 0.00 -2.50 0.00 0.00 55.73 52.44 2rpp s ARG 67 Cb 0.00 -2.25 -0.04 0.00 0.06 0.00 0.00 34.95 32.73 2rpp s ARG 67 CO 0.00 -0.73 0.26 0.00 -2.50 0.00 0.00 175.30 172.32 2rpp n SER 69 N -0.29 2.81 -4.07 0.00 2.88 -1.26 -4.97 113.62 108.72 2rpp n SER 69 Ca -0.06 -0.02 -0.39 0.00 -1.33 0.00 0.00 58.87 57.07 2rpp n SER 69 Cb 0.53 -0.18 -0.13 0.00 -0.75 0.00 0.00 64.21 63.67 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rpp n ARG 70 N -2.90 0.00 0.00 -1.46 5.12 -1.26 -4.78 116.66 111.38 2rpp n ARG 70 Ca -0.18 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.61 2rpp n ARG 70 Cb 0.68 -1.36 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 2rpp n ARG 70 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2rpp h GLU 71 N 10.69 -0.47 -1.19 5.56 5.08 -2.05 -2.08 114.58 130.11 2rpp h GLU 71 Ca -0.05 0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.66 2rpp h GLU 71 Cb 1.20 0.11 -0.28 0.00 0.50 0.00 0.00 28.75 30.27 2rpp h GLU 71 CO 1.24 -0.32 0.89 0.09 -1.00 0.00 0.00 179.01 179.92 2rpp n ASN 72 N -4.89 7.64 -3.14 1.42 4.13 -1.26 -5.02 115.26 114.14 2rpp n ASN 72 Ca -0.05 -3.77 -0.38 0.00 1.68 0.00 0.00 54.58 52.06 2rpp n ASN 72 Cb 0.31 -1.00 -0.04 0.00 -1.54 0.00 0.00 39.78 37.51 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rpp n LYS 74 N 0.89 2.19 -4.41 0.00 -0.00 -1.26 -4.41 118.16 111.15 2rpp n LYS 74 Ca 0.13 -1.73 -0.30 0.00 -0.00 0.00 0.00 58.31 56.42 2rpp n LYS 74 Cb 0.11 -1.47 -0.11 0.00 -0.00 0.00 0.00 35.03 33.56 2rpp n LYS 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2rpp s TYR 75 N -1.99 2.60 0.57 5.58 2.02 -1.26 -2.55 117.35 122.32 2rpp s TYR 75 Ca 0.30 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.63 2rpp s TYR 75 Cb 0.20 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.30 2rpp s TYR 75 CO 0.31 0.35 1.01 -1.17 -1.57 0.00 0.00 175.55 174.48 2rpp s LEU 76 N -1.90 3.44 -0.57 -1.29 2.96 -1.05 -4.55 118.68 115.72 2rpp s LEU 76 Ca 0.17 1.54 -0.07 0.00 -0.22 0.00 0.00 54.13 55.55 2rpp s LEU 76 Cb -0.11 -4.50 0.15 0.00 0.50 0.00 0.00 46.19 42.23 2rpp s LEU 76 CO 0.09 -0.81 0.43 -1.00 -1.32 0.00 0.00 176.35 173.74 2rpp s HIS 77 N -2.84 3.49 0.46 5.38 3.76 -1.26 -1.03 115.29 123.26 2rpp s HIS 77 Ca 0.58 -2.20 -0.23 0.00 -0.15 0.00 0.00 55.06 53.06 2rpp s HIS 77 Cb -0.11 -3.44 -0.07 0.00 1.11 0.00 0.00 32.58 30.07 2rpp s HIS 77 CO 0.42 -0.95 1.16 -1.25 -0.85 0.00 0.00 174.74 173.27 2rpp s PRO 78 N 0.72 3.75 1.07 8.40 0.04 -1.26 -5.03 135.00 142.68 2rpp s PRO 78 Ca 0.11 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 2rpp s PRO 78 Cb -0.21 -2.40 0.22 0.00 0.04 0.00 0.00 34.50 32.15 2rpp s PRO 78 CO -0.03 -0.56 1.10 -1.25 0.04 0.00 0.00 177.00 176.30 2rpp s PRO 79 N -2.71 -0.16 0.02 0.56 0.04 -1.26 -4.72 135.00 126.78 2rpp s PRO 79 Ca 0.64 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 2rpp s PRO 79 Cb -0.28 -1.69 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 2rpp s PRO 79 CO 0.34 -3.08 1.46 1.15 0.04 0.00 0.00 177.00 176.91 2rpp h THR 80 N -2.14 1.20 -0.12 1.26 2.02 -1.98 0.13 112.91 113.29 2rpp h THR 80 Ca -0.52 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.03 2rpp h THR 80 Cb 1.32 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2rpp h THR 80 CO 0.51 0.17 0.41 1.12 0.37 0.00 0.00 175.52 178.10 2rpp h HIS 81 N -0.31 0.00 0.00 3.16 2.07 -1.99 -1.82 115.15 116.26 2rpp h HIS 81 Ca -0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.15 2rpp h HIS 81 Cb 0.30 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.22 2rpp h HIS 81 CO 0.02 0.00 -2.00 1.28 -3.07 0.00 0.00 177.93 174.17 2rpp n LEU 82 N -3.08 1.96 -0.25 6.12 4.77 -0.98 -4.42 117.00 121.13 2rpp n LEU 82 Ca 0.01 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.43 2rpp n LEU 82 Cb 0.49 -0.89 0.18 0.00 -2.33 0.00 0.00 43.42 40.87 2rpp n LEU 82 CO 0.16 0.47 0.53 1.17 -1.33 0.00 0.00 177.39 178.40 2rpp n LYS 83 N -4.28 -0.06 -0.30 3.23 4.81 0.42 0.11 118.16 122.09 2rpp n LYS 83 Ca -0.45 1.07 0.02 0.00 -0.87 0.00 0.00 58.31 58.09 2rpp n LYS 83 Cb 0.81 -1.67 0.09 0.00 0.02 0.00 0.00 35.03 34.27 2rpp n LYS 83 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2rpp h THR 84 N 0.00 0.13 -0.88 3.15 2.02 -1.74 0.35 112.91 115.93 2rpp h THR 84 Ca 0.40 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.82 2rpp h THR 84 Cb 0.77 0.13 -0.15 0.00 -1.74 0.00 0.00 68.15 67.16 2rpp h THR 84 CO -0.69 0.00 0.18 1.56 0.37 0.00 0.00 175.52 176.95 2rpp h GLN 85 N -0.02 0.15 -1.00 6.66 1.08 0.46 0.66 115.11 123.10 2rpp h GLN 85 Ca 0.38 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.59 2rpp h GLN 85 Cb 0.61 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 2rpp h GLN 85 CO -0.87 0.10 0.66 -0.07 -0.95 0.00 0.00 178.83 177.70 2rpp h LEU 86 N 0.16 1.14 0.04 1.46 3.38 -0.39 -2.94 115.31 118.16 2rpp h LEU 86 Ca 0.55 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 2rpp h LEU 86 Cb 1.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2rpp h LEU 86 CO -0.70 0.81 -0.02 -0.33 0.09 0.00 0.00 178.44 178.29 2rpp h GLU 87 N 1.34 -0.06 -0.98 1.13 5.08 0.35 -3.24 114.58 118.20 2rpp h GLU 87 Ca 0.38 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 59.05 2rpp h GLU 87 Cb -0.12 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 28.96 2rpp h GLU 87 CO -0.09 0.49 0.16 -0.89 -1.00 0.00 0.00 179.01 177.68 2rpp n ILE 88 N -4.84 -0.41 -1.10 3.13 5.41 0.72 -4.45 119.36 117.82 2rpp n ILE 88 Ca -0.09 2.10 -0.38 0.00 1.00 0.00 0.00 62.75 65.39 2rpp n ILE 88 Cb 0.29 -3.16 -0.11 0.00 -0.71 0.00 0.00 39.64 35.95 2rpp n ILE 88 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2rpp n ASN 89 N -5.39 0.37 -3.81 4.38 2.85 -1.12 -4.86 115.26 107.68 2rpp n ASN 89 Ca 0.27 0.30 -0.30 0.00 -0.11 0.00 0.00 54.58 54.74 2rpp n ASN 89 Cb 0.89 -0.72 -0.15 0.00 1.24 0.00 0.00 39.78 41.04 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2rpp s SER 90 N 6.16 4.14 0.00 1.20 0.15 -1.26 -5.02 113.70 119.07 2rpp s SER 90 Ca 1.02 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2rpp s SER 90 Cb -1.07 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2rpp s SER 90 CO 0.44 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2rpp n GLY 91 N 4.72 -1.61 3.56 9.45 0.00 -1.26 -5.09 105.19 114.96 2rpp n GLY 91 Ca -0.02 0.99 -0.27 0.00 0.00 0.00 0.00 46.02 46.72 2rpp n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rpp s PRO 92 N 0.00 2.56 0.04 1.61 0.04 -1.26 -4.79 135.00 133.20 2rpp s PRO 92 Ca 0.00 -0.24 -0.18 0.00 0.04 0.00 0.00 61.00 60.62 2rpp s PRO 92 Cb 0.00 -5.02 -0.19 0.00 0.04 0.00 0.00 34.50 29.33 2rpp s PRO 92 CO 0.00 -3.34 1.21 0.66 0.04 0.00 0.00 177.00 175.57 2rpp h SER 93 N 11.51 0.62 -0.06 6.66 4.64 -2.02 -3.29 113.55 131.61 2rpp h SER 93 Ca 0.08 -0.66 0.03 0.00 -0.47 0.00 0.00 61.79 60.76 2rpp h SER 93 Cb 1.01 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 2rpp h SER 93 CO 1.21 1.18 -0.12 0.28 -0.87 0.00 0.00 176.83 178.51 2rpp h SER 94 N 0.10 -0.37 0.00 4.97 0.02 -1.94 -3.56 113.55 112.77 2rpp h SER 94 Ca -0.04 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2rpp h SER 94 Cb 1.19 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2rpp h SER 94 CO 0.11 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.24