#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 6.71 -0.11 1.61 0.01 -1.26 -4.72 113.70 115.94 2rpp s SER 8 Ca 0.00 -2.53 -0.08 0.00 1.31 0.00 0.00 55.95 54.65 2rpp s SER 8 Cb 0.00 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 2rpp s SER 8 CO 0.00 -0.67 0.22 0.28 0.41 0.00 0.00 173.24 173.47 2rpp h SER 9 N 8.02 0.00 0.00 2.44 0.02 -2.04 -3.49 113.55 118.50 2rpp h SER 9 Ca 0.09 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2rpp h SER 9 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2rpp h SER 9 CO 0.83 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.77 2rpp n GLY 10 N 1.73 1.11 3.58 -3.77 0.00 -1.26 -5.06 105.19 101.51 2rpp n GLY 10 Ca -0.03 0.54 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 2rpp n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpp s SER 11 N 0.00 5.07 -0.25 1.61 0.15 -1.26 -4.82 113.70 114.20 2rpp s SER 11 Ca 0.00 -1.49 -0.26 0.00 0.70 0.00 0.00 55.95 54.90 2rpp s SER 11 Cb 0.00 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.80 2rpp s SER 11 CO 0.00 -3.00 0.76 -0.44 1.20 0.00 0.00 173.24 171.77 2rpp s SER 12 N 6.75 -0.70 0.00 5.45 0.01 -1.26 -5.16 113.70 118.80 2rpp s SER 12 Ca 0.68 1.29 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2rpp s SER 12 Cb -0.02 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.51 2rpp s SER 12 CO 0.11 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2rpp n GLY 13 N 2.45 -0.25 3.62 3.44 0.00 -1.26 -5.15 105.19 108.05 2rpp n GLY 13 Ca -0.14 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 -0.66 -0.01 1.61 0.04 -1.26 -4.90 135.00 127.81 2rpp s PRO 14 Ca 0.00 0.13 -0.31 0.00 0.04 0.00 0.00 61.00 60.86 2rpp s PRO 14 Cb 0.00 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 2rpp s PRO 14 CO 0.00 -3.38 1.98 0.28 0.04 0.00 0.00 177.00 175.92 2rpp n VAL 15 N -4.56 0.70 -0.70 -0.36 0.31 -1.26 -4.94 118.33 107.52 2rpp n VAL 15 Ca 0.10 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 2rpp n VAL 15 Cb 0.59 -2.24 0.16 0.00 -0.91 0.00 0.00 33.84 31.43 2rpp n VAL 15 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2rpp n ARG 16 N 7.46 -0.52 -3.16 5.55 -4.01 -1.26 -4.99 116.66 115.73 2rpp n ARG 16 Ca 0.22 -0.10 -0.22 0.00 -1.04 0.00 0.00 57.85 56.71 2rpp n ARG 16 Cb 0.39 -2.18 -0.05 0.00 -3.04 0.00 0.00 32.46 27.58 2rpp n ARG 16 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2rpp n ASP 17 N -3.27 1.76 -3.39 2.89 8.00 -1.26 -4.96 116.55 116.33 2rpp n ASP 17 Ca 0.10 -3.12 -0.15 0.00 0.71 0.00 0.00 54.79 52.32 2rpp n ASP 17 Cb 0.53 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 2rpp n ASP 17 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2rpp n THR 18 N 0.50 -0.51 -0.04 -3.53 5.66 -1.26 -4.77 114.28 110.33 2rpp n THR 18 Ca 0.26 -0.24 -0.20 0.00 -3.05 0.00 0.00 64.05 60.82 2rpp n THR 18 Cb 0.55 -0.50 -0.13 0.00 -1.55 0.00 0.00 70.33 68.70 2rpp n THR 18 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2rpp h LYS 19 N -0.29 0.12 0.00 1.09 1.57 -2.00 -3.32 116.57 113.74 2rpp h LYS 19 Ca -0.31 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2rpp h LYS 19 Cb 0.66 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2rpp h LYS 19 CO 0.33 1.10 0.00 -2.67 -0.57 0.00 0.00 179.45 177.64 2rpp n TRP 20 N -4.25 0.12 -1.31 -1.35 4.27 -1.26 -2.69 117.44 110.98 2rpp n TRP 20 Ca -0.22 0.05 -0.33 0.00 -3.89 0.00 0.00 57.50 53.10 2rpp n TRP 20 Cb 0.73 -0.58 0.07 0.00 -1.36 0.00 0.00 31.31 30.17 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 -1.62 7.60 -4.19 5.67 4.77 -1.25 -4.92 117.00 123.07 2rpp n LEU 21 Ca 0.03 -4.21 -0.29 0.00 -0.03 0.00 0.00 56.01 51.50 2rpp n LEU 21 Cb 0.15 -0.99 -0.16 0.00 -2.33 0.00 0.00 43.42 40.08 2rpp n LEU 21 CO 0.12 1.46 -0.53 -0.89 -1.33 0.00 0.00 177.39 176.21 2rpp s THR 22 N -4.60 1.75 0.23 -5.08 2.01 -1.09 -0.21 115.64 108.65 2rpp s THR 22 Ca 0.62 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.83 2rpp s THR 22 Cb 0.48 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2rpp s THR 22 CO -0.02 0.49 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.53 2rpp s LEU 23 N 0.07 2.86 0.25 4.42 1.43 0.17 -4.93 118.68 122.94 2rpp s LEU 23 Ca -0.07 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 2rpp s LEU 23 Cb -0.14 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 2rpp s LEU 23 CO 0.04 0.06 1.15 -1.61 0.23 0.00 0.00 176.35 176.23 2rpp s GLU 24 N -3.20 4.56 0.20 1.70 2.02 -1.26 -2.18 118.70 120.54 2rpp s GLU 24 Ca 0.27 1.87 -0.20 0.00 0.02 0.00 0.00 54.97 56.93 2rpp s GLU 24 Cb -0.07 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2rpp s GLU 24 CO 0.16 0.06 0.72 0.08 0.02 0.00 0.00 175.26 176.29 2rpp s VAL 25 N -0.72 4.56 -0.40 2.63 1.01 -1.26 -3.75 120.40 122.47 2rpp s VAL 25 Ca 0.48 1.33 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 2rpp s VAL 25 Cb -0.33 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2rpp s VAL 25 CO 0.40 0.28 1.70 0.00 0.00 0.00 0.00 175.10 177.49 2rpp h ARG 27 N 12.63 -0.15 -0.53 0.00 3.08 -1.94 0.19 114.38 127.66 2rpp h ARG 27 Ca -0.31 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.86 2rpp h ARG 27 Cb 1.15 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 2rpp h ARG 27 CO 1.08 -0.10 -0.02 1.96 -1.07 0.00 0.00 179.97 181.82 2rpp h GLN 28 N -0.16 0.09 -0.13 0.04 1.08 -1.91 -1.91 115.11 112.22 2rpp h GLN 28 Ca 0.23 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.48 2rpp h GLN 28 Cb 0.55 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2rpp h GLN 28 CO -0.68 0.06 -0.28 0.35 -0.95 0.00 0.00 178.83 177.33 2rpp h PHE 29 N 0.10 -0.76 -0.72 2.96 3.57 -1.30 0.36 116.94 121.14 2rpp h PHE 29 Ca 0.27 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.96 2rpp h PHE 29 Cb 0.41 0.36 -0.12 0.00 2.79 0.00 0.00 35.95 39.39 2rpp h PHE 29 CO -0.35 -0.36 0.07 1.96 -2.23 0.00 0.00 178.31 177.40 2rpp h GLN 30 N -0.35 0.16 -0.08 1.11 1.08 -0.59 0.22 115.11 116.65 2rpp h GLN 30 Ca 0.10 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2rpp h GLN 30 Cb 0.50 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2rpp h GLN 30 CO -0.33 0.10 -0.55 0.00 -0.95 0.00 0.00 178.83 177.11 2rpp h ARG 31 N 0.16 0.24 0.00 1.46 3.08 -0.89 -3.47 114.38 114.96 2rpp h ARG 31 Ca 0.40 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2rpp h ARG 31 Cb 0.70 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2rpp h ARG 31 CO -0.59 0.73 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 2rpp n GLY 32 N 0.14 1.26 2.49 0.04 0.00 0.11 -5.03 105.19 104.19 2rpp n GLY 32 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2rpp n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpp n THR 33 N -0.25 1.56 -3.87 2.61 5.66 -0.57 -5.00 114.28 114.42 2rpp n THR 33 Ca 0.00 -3.17 -0.33 0.00 -3.05 0.00 0.00 64.05 57.50 2rpp n THR 33 Cb 0.00 0.59 -0.12 0.00 -1.55 0.00 0.00 70.33 69.25 2rpp n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rpp n SER 35 N 3.67 5.91 -4.33 0.00 7.64 -1.26 -4.85 113.62 120.39 2rpp n SER 35 Ca 0.05 -2.89 -0.32 0.00 1.01 0.00 0.00 58.87 56.71 2rpp n SER 35 Cb 0.37 -1.02 -0.15 0.00 -1.01 0.00 0.00 64.21 62.39 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 -1.41 2.87 1.02 1.43 0.52 -1.26 -5.07 118.95 117.05 2rpp s ARG 36 Ca 0.24 -0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 54.51 2rpp s ARG 36 Cb 0.19 -2.36 0.20 0.00 0.52 0.00 0.00 34.95 33.50 2rpp s ARG 36 CO 0.00 0.35 1.12 -1.54 0.02 0.00 0.00 175.30 175.24 2rpp s SER 37 N -0.04 2.45 0.27 0.23 1.04 -1.26 -4.55 113.70 111.85 2rpp s SER 37 Ca -0.05 0.96 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 2rpp s SER 37 Cb -0.14 -1.49 0.46 0.00 0.10 0.00 0.00 66.02 64.94 2rpp s SER 37 CO 0.05 -3.21 1.86 -2.24 0.98 0.00 0.00 173.24 170.67 2rpp h ASP 38 N -1.95 0.97 -0.08 7.02 2.03 -1.94 0.22 116.42 122.69 2rpp h ASP 38 Ca -0.51 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2rpp h ASP 38 Cb 1.32 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2rpp h ASP 38 CO 0.53 0.58 0.00 1.21 -1.03 0.00 0.00 179.24 180.53 2rpp n GLU 39 N -4.57 1.68 -0.13 4.15 2.13 -1.26 -3.99 120.64 118.66 2rpp n GLU 39 Ca 0.17 -1.00 -0.19 0.00 0.66 0.00 0.00 57.16 56.79 2rpp n GLU 39 Cb 0.25 -1.44 -0.11 0.00 0.27 0.00 0.00 31.44 30.41 2rpp n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2rpp n GLU 40 N 0.21 0.61 -3.37 5.31 2.13 0.39 -4.97 120.64 120.96 2rpp n GLU 40 Ca 0.18 0.16 -0.34 0.00 0.66 0.00 0.00 57.16 57.82 2rpp n GLU 40 Cb 0.34 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.50 2rpp n GLU 40 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rpp n LYS 42 N 0.44 2.64 -4.47 0.00 2.85 -1.26 -4.87 118.16 113.49 2rpp n LYS 42 Ca -0.03 -1.52 -0.22 0.00 -1.05 0.00 0.00 58.31 55.49 2rpp n LYS 42 Cb 0.52 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 33.08 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2rpp s PHE 43 N -1.77 2.05 -0.12 5.58 0.40 -1.26 -4.96 117.98 117.89 2rpp s PHE 43 Ca 0.27 -0.89 -0.10 0.00 -0.60 0.00 0.00 56.93 55.61 2rpp s PHE 43 Cb 0.19 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 42.33 2rpp s PHE 43 CO 0.11 0.10 0.22 0.00 0.70 0.00 0.00 175.22 176.35 2rpp s ALA 44 N -3.18 3.75 -0.47 5.36 0.00 -1.25 -4.91 121.76 121.06 2rpp s ALA 44 Ca 0.36 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.82 2rpp s ALA 44 Cb 0.08 -2.17 0.12 0.00 0.00 0.00 0.00 23.12 21.16 2rpp s ALA 44 CO 0.15 0.40 0.21 -1.01 0.00 0.00 0.00 175.76 175.51 2rpp s HIS 45 N -0.46 3.35 0.11 0.00 0.09 -1.26 -3.10 115.29 114.02 2rpp s HIS 45 Ca 0.15 -3.12 -0.31 0.00 -0.00 0.00 0.00 55.06 51.78 2rpp s HIS 45 Cb -0.13 -2.86 -0.08 0.00 -0.00 0.00 0.00 32.58 29.52 2rpp s HIS 45 CO 0.04 -0.80 1.36 -1.25 -0.00 0.00 0.00 174.74 174.10 2rpp s PRO 46 N 0.04 4.34 0.80 8.40 0.04 -1.26 -4.99 135.00 142.36 2rpp s PRO 46 Ca 0.15 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2rpp s PRO 46 Cb -0.24 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.11 2rpp s PRO 46 CO -0.02 -0.41 1.09 -1.25 0.04 0.00 0.00 177.00 176.45 2rpp s PRO 47 N 1.08 2.04 0.36 0.56 0.04 -1.26 -4.87 135.00 132.95 2rpp s PRO 47 Ca 0.64 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.89 2rpp s PRO 47 Cb -0.36 -1.88 0.92 0.00 0.04 0.00 0.00 34.50 33.22 2rpp s PRO 47 CO 0.30 -1.77 1.80 0.87 0.04 0.00 0.00 177.00 178.24 2rpp h LYS 48 N -1.22 0.56 -0.46 4.56 1.79 -1.99 0.22 116.57 120.03 2rpp h LYS 48 Ca -0.45 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 57.94 2rpp h LYS 48 Cb 1.24 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 2rpp h LYS 48 CO 0.52 0.37 0.07 0.77 -1.08 0.00 0.00 179.45 180.10 2rpp h SER 49 N 0.58 0.68 -3.72 0.86 0.02 -1.96 -3.42 113.55 106.58 2rpp h SER 49 Ca 0.55 -0.13 -0.49 0.00 -0.84 0.00 0.00 61.79 60.88 2rpp h SER 49 Cb 1.11 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2rpp h SER 49 CO -0.30 0.70 0.28 0.00 -1.14 0.00 0.00 176.83 176.36 2rpp s GLN 51 N -1.58 1.43 -0.04 0.00 -1.52 -0.31 -4.63 119.66 113.01 2rpp s GLN 51 Ca 0.43 0.54 -0.01 0.00 -1.95 0.00 0.00 55.36 54.37 2rpp s GLN 51 Cb -0.22 -1.85 0.03 0.00 -0.22 0.00 0.00 33.01 30.76 2rpp s GLN 51 CO 0.26 -2.05 0.08 0.08 -0.25 0.00 0.00 175.29 173.41 2rpp s VAL 52 N -3.13 -0.09 0.75 1.09 1.01 -1.26 -4.74 120.40 114.03 2rpp s VAL 52 Ca 0.63 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2rpp s VAL 52 Cb -0.16 -0.16 0.06 0.00 0.00 0.00 0.00 36.38 36.13 2rpp s VAL 52 CO 0.55 0.11 1.11 -1.61 0.00 0.00 0.00 175.10 175.25 2rpp s GLU 53 N 1.45 2.19 -0.40 2.72 0.41 0.64 -4.92 118.70 120.79 2rpp s GLU 53 Ca -0.05 0.04 -0.32 0.00 -0.41 0.00 0.00 54.97 54.23 2rpp s GLU 53 Cb -0.12 -2.04 -0.10 0.00 -1.78 0.00 0.00 34.13 30.08 2rpp s GLU 53 CO -0.04 -1.38 2.28 0.09 -0.49 0.00 0.00 175.26 175.72 2rpp n ASN 54 N -3.13 2.20 -1.07 -0.19 3.02 -1.26 -0.92 115.26 113.91 2rpp n ASN 54 Ca 0.08 0.21 -0.11 0.00 -0.03 0.00 0.00 54.58 54.72 2rpp n ASN 54 Cb 0.60 -1.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rpp n GLY 55 N 6.33 1.07 3.73 7.41 0.00 -1.26 -4.86 105.19 117.60 2rpp n GLY 55 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.81 1.67 -0.02 1.61 3.52 -0.10 -4.16 118.95 118.67 2rpp s ARG 56 Ca 0.00 -1.12 -0.07 0.00 -0.13 0.00 0.00 55.73 54.41 2rpp s ARG 56 Cb 0.00 0.54 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 2rpp s ARG 56 CO 0.00 -0.73 0.15 0.54 -0.81 0.00 0.00 175.30 174.44 2rpp s VAL 57 N -3.97 0.06 0.07 7.11 0.11 -0.92 0.23 120.40 123.10 2rpp s VAL 57 Ca 0.17 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 58.55 2rpp s VAL 57 Cb -0.03 -0.38 -0.06 0.00 -1.53 0.00 0.00 36.38 34.37 2rpp s VAL 57 CO 0.08 -0.28 0.50 -0.63 -3.33 0.00 0.00 175.10 171.45 2rpp s ILE 58 N -0.99 4.88 0.15 7.04 1.01 -1.26 -0.66 121.20 131.37 2rpp s ILE 58 Ca -0.11 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 2rpp s ILE 58 Cb -0.06 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2rpp s ILE 58 CO 0.01 0.46 0.44 0.00 0.00 0.00 0.00 174.94 175.86 2rpp s ALA 59 N -1.21 3.69 0.44 9.38 0.00 0.71 -3.04 121.76 131.72 2rpp s ALA 59 Ca 0.30 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 2rpp s ALA 59 Cb -0.17 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 2rpp s ALA 59 CO 0.17 0.58 1.07 0.00 0.00 0.00 0.00 175.76 177.59 2rpp h PHE 61 N 2.11 -0.12 -0.05 0.00 3.57 -1.95 -3.34 116.94 117.15 2rpp h PHE 61 Ca -0.49 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.04 2rpp h PHE 61 Cb 1.22 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2rpp h PHE 61 CO 0.56 0.31 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.37 2rpp h ASP 62 N -0.96 -0.41 -1.50 0.41 5.19 -1.94 -1.32 116.42 115.89 2rpp h ASP 62 Ca -0.01 0.07 0.44 0.00 -0.62 0.00 0.00 57.03 56.90 2rpp h ASP 62 Cb 0.48 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.11 2rpp h ASP 62 CO 0.02 -0.19 1.32 -1.54 -3.12 0.00 0.00 179.24 175.74 2rpp n SER 63 N -5.27 0.00 -0.12 6.45 3.41 -1.26 0.14 113.62 116.97 2rpp n SER 63 Ca -0.04 0.87 -0.09 0.00 -0.26 0.00 0.00 58.87 59.35 2rpp n SER 63 Cb 0.19 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 2rpp n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2rpp h LEU 64 N 0.00 0.46 -1.62 1.04 3.38 -1.36 -2.30 115.31 114.91 2rpp h LEU 64 Ca 0.71 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.54 2rpp h LEU 64 Cb 3.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 43.98 2rpp h LEU 64 CO -0.01 0.43 -0.21 0.11 0.09 0.00 0.00 178.44 178.86 2rpp h LYS 65 N 0.46 0.00 0.00 1.13 1.79 0.10 -3.46 116.57 116.59 2rpp h LYS 65 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2rpp h LYS 65 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2rpp h LYS 65 CO -0.02 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 2rpp n GLY 66 N -0.82 1.94 2.81 3.86 0.00 -0.87 -5.06 105.19 107.06 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 0.50 0.00 0.00 0.00 173.32 173.82 2rpp s ARG 67 N -0.30 1.03 0.13 1.61 0.52 -1.26 -4.97 118.95 115.70 2rpp s ARG 67 Ca 0.00 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2rpp s ARG 67 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 2rpp s ARG 67 CO 0.00 -0.66 0.26 0.00 0.02 0.00 0.00 175.30 174.92 2rpp n SER 69 N -0.33 1.13 -3.74 0.00 7.64 -1.26 -5.01 113.62 112.06 2rpp n SER 69 Ca -0.06 0.19 -0.51 0.00 1.01 0.00 0.00 58.87 59.50 2rpp n SER 69 Cb 0.53 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rpp n ARG 70 N -3.73 0.00 0.05 1.43 1.74 -1.26 -4.88 116.66 110.01 2rpp n ARG 70 Ca -0.29 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.77 2rpp n ARG 70 Cb 0.68 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.89 2rpp n ARG 70 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2rpp h GLU 71 N 3.08 -0.14 -1.31 5.56 4.57 -2.05 -3.29 114.58 120.99 2rpp h GLU 71 Ca -0.39 0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.47 2rpp h GLU 71 Cb 1.14 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 29.61 2rpp h GLU 71 CO 0.63 -0.09 0.42 0.09 -1.18 0.00 0.00 179.01 178.88 2rpp n ASN 72 N -2.64 5.46 -3.43 1.04 4.13 -1.26 -4.96 115.26 113.59 2rpp n ASN 72 Ca -0.02 -3.02 -0.48 0.00 1.68 0.00 0.00 54.58 52.74 2rpp n ASN 72 Cb 0.06 -0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 37.28 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rpp h LYS 74 N 7.30 0.00 -6.00 0.00 2.10 -1.93 -3.42 116.57 114.62 2rpp h LYS 74 Ca -0.08 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.00 2rpp h LYS 74 Cb 1.14 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.41 2rpp h LYS 74 CO 0.88 0.00 -0.05 0.71 -2.00 0.00 0.00 179.45 178.99 2rpp s TYR 75 N -3.32 3.65 0.45 0.07 1.51 -1.26 -1.17 117.35 117.29 2rpp s TYR 75 Ca 0.05 1.12 -0.21 0.00 -1.01 0.00 0.00 57.07 57.01 2rpp s TYR 75 Cb 0.10 -2.57 -0.10 0.00 -0.11 0.00 0.00 41.96 39.28 2rpp s TYR 75 CO 0.43 0.33 1.00 -1.17 -1.11 0.00 0.00 175.55 175.03 2rpp s LEU 76 N -0.07 3.91 -0.54 -1.29 2.96 -1.17 -4.49 118.68 117.99 2rpp s LEU 76 Ca 0.29 1.82 -0.16 0.00 -0.22 0.00 0.00 54.13 55.87 2rpp s LEU 76 Cb -0.17 -4.52 0.13 0.00 0.50 0.00 0.00 46.19 42.13 2rpp s LEU 76 CO 0.15 -0.56 0.50 -1.00 -1.32 0.00 0.00 176.35 174.12 2rpp s HIS 77 N -2.05 3.26 0.53 5.38 3.76 -1.26 -1.01 115.29 123.91 2rpp s HIS 77 Ca 0.64 -1.32 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 2rpp s HIS 77 Cb -0.13 -3.79 -0.06 0.00 1.11 0.00 0.00 32.58 29.71 2rpp s HIS 77 CO 0.17 -1.02 1.13 -1.25 -0.85 0.00 0.00 174.74 172.93 2rpp s PRO 78 N 1.57 3.41 1.06 8.40 0.04 -1.26 -4.99 135.00 143.22 2rpp s PRO 78 Ca 0.03 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2rpp s PRO 78 Cb -0.30 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.41 2rpp s PRO 78 CO 0.03 -0.81 1.10 -1.25 0.04 0.00 0.00 177.00 176.10 2rpp s PRO 79 N -3.21 -0.07 0.01 0.56 0.04 -1.26 -4.71 135.00 126.37 2rpp s PRO 79 Ca 0.72 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 2rpp s PRO 79 Cb -0.24 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2rpp s PRO 79 CO 0.28 -3.03 1.13 1.15 0.04 0.00 0.00 177.00 176.57 2rpp h THR 80 N -2.10 0.00 -1.50 1.26 2.02 -1.96 0.23 112.91 110.87 2rpp h THR 80 Ca -0.53 -0.00 0.46 0.00 0.77 0.00 0.00 66.41 67.11 2rpp h THR 80 Cb 1.33 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 2rpp h THR 80 CO 0.52 0.00 1.04 0.00 0.37 0.00 0.00 175.52 177.45 2rpp n HIS 81 N -2.94 0.27 -0.08 3.16 1.44 -1.26 0.95 115.22 116.77 2rpp n HIS 81 Ca -0.04 0.27 -0.16 0.00 -2.01 0.00 0.00 57.72 55.78 2rpp n HIS 81 Cb 0.14 -0.70 -0.13 0.00 0.12 0.00 0.00 29.99 29.42 2rpp n HIS 81 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2rpp h LEU 82 N 0.00 0.01 -0.96 2.39 3.38 -1.84 -3.35 115.31 114.93 2rpp h LEU 82 Ca 0.80 -0.87 0.31 0.00 0.09 0.00 0.00 57.88 58.21 2rpp h LEU 82 Cb 2.94 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 43.53 2rpp h LEU 82 CO -0.19 1.14 0.38 0.11 0.09 0.00 0.00 178.44 179.97 2rpp h LYS 83 N -0.99 0.16 -0.50 1.13 1.57 0.40 0.31 116.57 118.66 2rpp h LYS 83 Ca -0.10 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2rpp h LYS 83 Cb 1.09 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.28 2rpp h LYS 83 CO -0.05 0.11 -0.02 1.15 -0.57 0.00 0.00 179.45 180.06 2rpp h THR 84 N 0.16 0.59 -0.66 -0.16 2.02 -1.51 -1.60 112.91 111.75 2rpp h THR 84 Ca 0.69 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.97 2rpp h THR 84 Cb 1.57 0.49 -0.13 0.00 -1.74 0.00 0.00 68.15 68.34 2rpp h THR 84 CO -0.71 0.02 -0.15 1.56 0.37 0.00 0.00 175.52 176.60 2rpp h GLN 85 N 0.09 0.01 -0.96 6.66 4.20 -0.53 0.23 115.11 124.82 2rpp h GLN 85 Ca 0.25 -0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.18 2rpp h GLN 85 Cb 0.38 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.04 2rpp h GLN 85 CO -0.43 0.00 0.52 -0.07 -0.67 0.00 0.00 178.83 178.18 2rpp h LEU 86 N 0.01 0.58 -0.16 1.46 3.38 -1.29 0.55 115.31 119.84 2rpp h LEU 86 Ca 0.32 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 2rpp h LEU 86 Cb 0.50 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2rpp h LEU 86 CO -0.68 0.11 0.01 -0.33 0.09 0.00 0.00 178.44 177.64 2rpp h GLU 87 N 0.56 0.27 0.41 1.13 4.39 -0.52 -3.33 114.58 117.51 2rpp h GLU 87 Ca 0.59 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 60.19 2rpp h GLU 87 Cb 1.07 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2rpp h GLU 87 CO -0.47 0.49 -0.20 0.82 -1.16 0.00 0.00 179.01 178.49 2rpp h ILE 88 N 0.03 0.00 -6.78 3.13 2.04 -0.37 -3.46 117.51 112.09 2rpp h ILE 88 Ca 0.05 -0.25 -0.56 0.00 1.00 0.00 0.00 64.86 65.10 2rpp h ILE 88 Cb 0.36 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.24 2rpp h ILE 88 CO 0.01 0.00 -0.86 -0.46 0.00 0.00 0.00 178.15 176.83 2rpp n ASN 89 N -4.19 -2.26 -4.79 1.72 6.94 0.18 -4.90 115.26 107.96 2rpp n ASN 89 Ca -0.07 -1.06 -0.36 0.00 -0.02 0.00 0.00 54.58 53.07 2rpp n ASN 89 Cb 0.22 -2.59 -0.06 0.00 -2.36 0.00 0.00 39.78 34.99 2rpp n ASN 89 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2rpp s SER 90 N -3.57 7.10 0.00 0.53 0.01 -1.26 -4.98 113.70 111.53 2rpp s SER 90 Ca 0.56 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.70 2rpp s SER 90 Cb -0.31 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.34 2rpp s SER 90 CO 0.94 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2rpp n GLY 91 N 0.32 3.54 3.75 3.44 0.00 -1.26 -5.11 105.19 109.87 2rpp n GLY 91 Ca 0.04 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.31 4.43 0.25 1.61 0.04 -1.26 -4.81 135.00 132.95 2rpp s PRO 92 Ca 0.00 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2rpp s PRO 92 Cb 0.00 -3.15 0.49 0.00 0.04 0.00 0.00 34.50 31.88 2rpp s PRO 92 CO 0.00 -0.13 1.71 1.03 0.04 0.00 0.00 177.00 179.65 2rpp h SER 93 N 4.35 0.20 -4.12 6.66 0.87 -1.99 -3.41 113.55 116.12 2rpp h SER 93 Ca -0.47 0.13 -0.49 0.00 -1.23 0.00 0.00 61.79 59.73 2rpp h SER 93 Cb 1.22 0.13 0.05 0.00 -0.44 0.00 0.00 62.40 63.36 2rpp h SER 93 CO 0.71 0.05 0.40 -0.44 -0.53 0.00 0.00 176.83 177.01 2rpp s SER 94 N -5.29 5.93 0.00 6.23 0.01 -1.26 -5.16 113.70 114.16 2rpp s SER 94 Ca -0.12 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2rpp s SER 94 Cb 0.21 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2rpp s SER 94 CO 0.76 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.96