#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpp n SER 8 N 0.00 2.09 -0.16 1.61 7.64 -1.26 -4.80 113.62 118.73 2rpp n SER 8 Ca 0.00 0.92 0.13 0.00 1.01 0.00 0.00 58.87 60.94 2rpp n SER 8 Cb 0.00 -1.12 0.47 0.00 -1.01 0.00 0.00 64.21 62.56 2rpp n SER 8 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rpp n SER 9 N 6.32 0.70 0.00 6.43 3.41 -1.26 -4.93 113.62 124.30 2rpp n SER 9 Ca 0.33 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2rpp n SER 9 Cb 0.11 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2rpp n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rpp n GLY 10 N 1.33 3.62 3.96 5.00 0.00 -1.26 -5.17 105.19 112.68 2rpp n GLY 10 Ca 0.12 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2rpp n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpp s SER 11 N 0.00 6.11 -0.55 1.61 0.01 -1.26 -5.03 113.70 114.59 2rpp s SER 11 Ca 0.00 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.46 2rpp s SER 11 Cb 0.00 -1.68 0.43 0.00 0.21 0.00 0.00 66.02 64.98 2rpp s SER 11 CO 0.00 -0.38 1.67 -1.20 0.41 0.00 0.00 173.24 173.74 2rpp n SER 12 N -1.75 6.49 -3.16 2.44 7.64 -1.26 -4.78 113.62 119.24 2rpp n SER 12 Ca -0.03 -3.78 -0.27 0.00 1.01 0.00 0.00 58.87 55.81 2rpp n SER 12 Cb 0.57 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2rpp n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpp n GLY 13 N -0.75 5.12 3.57 0.23 0.00 -1.26 -5.02 105.19 107.09 2rpp n GLY 13 Ca 0.53 -2.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.95 2.52 -0.45 1.61 0.04 -1.26 -4.86 135.00 129.64 2rpp s PRO 14 Ca 0.44 -0.75 0.03 0.00 0.04 0.00 0.00 61.00 60.77 2rpp s PRO 14 Cb 0.22 -5.16 0.13 0.00 0.04 0.00 0.00 34.50 29.74 2rpp s PRO 14 CO -0.08 -3.70 0.23 0.08 0.04 0.00 0.00 177.00 173.56 2rpp s VAL 15 N 10.60 1.82 -0.06 -0.36 1.01 -1.26 -4.93 120.40 127.22 2rpp s VAL 15 Ca 0.69 -2.74 -0.10 0.00 0.00 0.00 0.00 61.98 59.84 2rpp s VAL 15 Cb -0.04 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2rpp s VAL 15 CO 0.07 -0.83 -0.19 0.54 0.00 0.00 0.00 175.10 174.68 2rpp n ARG 16 N 3.51 0.29 -1.67 2.72 3.00 -1.26 -5.04 116.66 118.21 2rpp n ARG 16 Ca 0.06 0.12 -0.31 0.00 -0.01 0.00 0.00 57.85 57.71 2rpp n ARG 16 Cb 0.34 -1.01 0.04 0.00 0.00 0.00 0.00 32.46 31.83 2rpp n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2rpp s ASP 17 N -5.94 5.51 -0.76 0.55 1.11 -1.26 -5.02 116.67 110.86 2rpp s ASP 17 Ca -0.16 1.64 -0.02 0.00 0.18 0.00 0.00 52.55 54.19 2rpp s ASP 17 Cb 0.02 -2.50 0.19 0.00 1.07 0.00 0.00 42.92 41.70 2rpp s ASP 17 CO 0.24 -1.36 0.61 -0.89 1.18 0.00 0.00 175.17 174.95 2rpp s THR 18 N -2.95 3.94 -0.26 -1.27 2.01 -1.26 -4.85 115.64 111.01 2rpp s THR 18 Ca 0.59 -3.53 -0.09 0.00 0.31 0.00 0.00 61.69 58.96 2rpp s THR 18 Cb -0.14 -3.51 -0.15 0.00 0.01 0.00 0.00 72.50 68.71 2rpp s THR 18 CO 0.52 -0.99 -0.22 0.29 -0.69 0.00 0.00 174.62 173.53 2rpp n LYS 19 N 2.78 0.62 0.06 4.92 4.01 -1.26 -4.55 118.16 124.73 2rpp n LYS 19 Ca 0.16 0.26 0.06 0.00 -0.51 0.00 0.00 58.31 58.27 2rpp n LYS 19 Cb 0.37 -1.54 -0.06 0.00 -0.51 0.00 0.00 35.03 33.30 2rpp n LYS 19 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 2rpp n TRP 20 N -3.91 0.85 -1.14 2.13 4.27 -1.26 -4.20 117.44 114.18 2rpp n TRP 20 Ca -0.49 0.26 -0.20 0.00 -3.89 0.00 0.00 57.50 53.19 2rpp n TRP 20 Cb 0.91 -0.97 -0.02 0.00 -1.36 0.00 0.00 31.31 29.87 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 -2.73 6.34 -4.48 5.67 4.77 -1.26 -4.82 117.00 120.50 2rpp n LEU 21 Ca -0.06 -3.59 -0.27 0.00 -0.03 0.00 0.00 56.01 52.07 2rpp n LEU 21 Cb 0.70 -1.16 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2rpp n LEU 21 CO 0.42 1.47 -0.49 0.42 -1.33 0.00 0.00 177.39 177.88 2rpp s THR 22 N -1.94 2.65 -0.02 -5.08 -4.23 -1.26 -1.63 115.64 104.13 2rpp s THR 22 Ca 0.45 -1.91 -0.10 0.00 -1.18 0.00 0.00 61.69 58.95 2rpp s THR 22 Cb 0.30 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.87 2rpp s THR 22 CO -0.10 -0.12 0.22 -0.76 -0.54 0.00 0.00 174.62 173.32 2rpp s LEU 23 N -2.74 1.22 0.21 4.79 1.43 0.01 -4.88 118.68 118.71 2rpp s LEU 23 Ca 0.22 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 2rpp s LEU 23 Cb -0.08 0.91 -0.08 0.00 0.03 0.00 0.00 46.19 46.97 2rpp s LEU 23 CO 0.12 -0.34 1.01 -1.61 0.23 0.00 0.00 176.35 175.76 2rpp s GLU 24 N -1.06 4.72 0.05 1.70 2.02 -1.26 -1.34 118.70 123.52 2rpp s GLU 24 Ca -0.11 1.59 -0.23 0.00 0.02 0.00 0.00 54.97 56.24 2rpp s GLU 24 Cb -0.06 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 2rpp s GLU 24 CO 0.02 0.29 0.69 0.08 0.02 0.00 0.00 175.26 176.37 2rpp s VAL 25 N -0.71 4.75 -0.04 2.63 1.01 -1.26 -3.33 120.40 123.45 2rpp s VAL 25 Ca 0.45 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 2rpp s VAL 25 Cb -0.27 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2rpp s VAL 25 CO 0.34 0.42 1.94 0.00 0.00 0.00 0.00 175.10 177.80 2rpp h ARG 27 N 11.22 -0.37 -0.78 0.00 1.12 -1.94 -1.11 114.38 122.51 2rpp h ARG 27 Ca -0.46 0.02 0.09 0.00 -1.11 0.00 0.00 59.98 58.53 2rpp h ARG 27 Cb 1.22 0.08 -0.07 0.00 -0.01 0.00 0.00 29.97 31.19 2rpp h ARG 27 CO 0.95 -0.24 0.43 1.96 -3.11 0.00 0.00 179.97 179.96 2rpp h GLN 28 N -0.38 0.70 -0.41 0.20 1.08 -1.90 -1.99 115.11 112.42 2rpp h GLN 28 Ca 0.11 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 2rpp h GLN 28 Cb 0.55 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 2rpp h GLN 28 CO -0.40 0.46 0.01 0.35 -0.95 0.00 0.00 178.83 178.31 2rpp h PHE 29 N 0.72 0.00 -0.37 2.96 3.57 -1.55 0.50 116.94 122.77 2rpp h PHE 29 Ca 0.38 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.99 2rpp h PHE 29 Cb 0.37 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2rpp h PHE 29 CO -0.08 -0.07 -0.12 1.96 -2.23 0.00 0.00 178.31 177.78 2rpp h GLN 30 N 0.12 -0.03 0.00 1.11 1.08 -0.57 -0.61 115.11 116.21 2rpp h GLN 30 Ca 0.20 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2rpp h GLN 30 Cb 0.28 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2rpp h GLN 30 CO -0.32 -0.02 -0.49 0.00 -0.95 0.00 0.00 178.83 177.05 2rpp h ARG 31 N -0.03 0.00 -0.08 1.46 3.08 -1.22 -3.47 114.38 114.13 2rpp h ARG 31 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2rpp h ARG 31 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2rpp h ARG 31 CO -0.40 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2rpp n GLY 32 N 0.07 1.42 2.40 0.04 0.00 0.16 -5.02 105.19 104.25 2rpp n GLY 32 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.30 1.95 -3.67 2.61 5.66 -0.32 -5.00 114.28 114.22 2rpp n THR 33 Ca 0.00 -3.65 -0.39 0.00 -3.05 0.00 0.00 64.05 56.97 2rpp n THR 33 Cb 0.11 -0.05 -0.10 0.00 -1.55 0.00 0.00 70.33 68.74 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 4.78 3.67 -4.43 0.00 2.88 -1.26 -4.83 113.62 114.43 2rpp n SER 35 Ca -0.07 -2.50 -0.34 0.00 -1.33 0.00 0.00 58.87 54.64 2rpp n SER 35 Cb 0.42 -0.68 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rpp s ARG 36 N -0.93 3.53 1.29 -1.46 1.81 -1.26 -5.07 118.95 116.86 2rpp s ARG 36 Ca 0.16 -0.59 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 2rpp s ARG 36 Cb 0.13 -2.83 0.33 0.00 -0.45 0.00 0.00 34.95 32.13 2rpp s ARG 36 CO 0.02 0.17 0.94 0.43 -0.68 0.00 0.00 175.30 176.19 2rpp n SER 37 N 3.70 -2.63 0.13 0.23 7.64 -1.26 -4.56 113.62 116.86 2rpp n SER 37 Ca -0.18 -0.42 -0.01 0.00 1.01 0.00 0.00 58.87 59.27 2rpp n SER 37 Cb 0.52 -1.16 0.19 0.00 -1.01 0.00 0.00 64.21 62.75 2rpp n SER 37 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rpp h ASP 38 N -3.03 0.06 -0.25 6.43 3.32 -1.96 -1.09 116.42 119.90 2rpp h ASP 38 Ca -0.56 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2rpp h ASP 38 Cb 1.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2rpp h ASP 38 CO 0.42 0.62 0.00 -0.62 -1.72 0.00 0.00 179.24 177.94 2rpp n GLU 39 N -3.87 2.39 -0.10 3.56 1.02 -1.26 -4.39 120.64 117.99 2rpp n GLU 39 Ca -0.01 -2.13 -0.17 0.00 -0.02 0.00 0.00 57.16 54.83 2rpp n GLU 39 Cb 0.58 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 2rpp n GLU 39 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2rpp n GLU 40 N 1.41 0.45 -2.30 3.49 2.13 -1.10 -4.98 120.64 119.74 2rpp n GLU 40 Ca 0.17 0.14 -0.41 0.00 0.66 0.00 0.00 57.16 57.72 2rpp n GLU 40 Cb 0.59 -1.31 -0.03 0.00 0.27 0.00 0.00 31.44 30.97 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 1.44 1.37 -4.18 0.00 2.85 -1.26 -4.84 118.16 113.53 2rpp n LYS 42 Ca 0.01 -0.86 -0.11 0.00 -1.05 0.00 0.00 58.31 56.29 2rpp n LYS 42 Cb 0.43 -1.34 -0.10 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.95 1.06 -0.19 5.58 0.40 -1.26 -5.06 117.98 117.55 2rpp s PHE 43 Ca 0.16 -1.32 -0.10 0.00 -0.60 0.00 0.00 56.93 55.07 2rpp s PHE 43 Cb 0.14 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 43.09 2rpp s PHE 43 CO 0.03 -0.61 0.13 0.00 0.70 0.00 0.00 175.22 175.47 2rpp s ALA 44 N -4.12 3.69 -0.52 5.36 0.00 -1.21 -4.90 121.76 120.05 2rpp s ALA 44 Ca 0.34 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2rpp s ALA 44 Cb 0.07 -2.15 0.14 0.00 0.00 0.00 0.00 23.12 21.18 2rpp s ALA 44 CO 0.09 0.19 0.29 -1.01 0.00 0.00 0.00 175.76 175.32 2rpp s HIS 45 N 0.28 3.38 0.13 0.00 0.09 -1.26 -2.82 115.29 115.10 2rpp s HIS 45 Ca 0.08 -2.91 -0.31 0.00 -0.00 0.00 0.00 55.06 51.93 2rpp s HIS 45 Cb -0.11 -3.02 -0.08 0.00 -0.00 0.00 0.00 32.58 29.37 2rpp s HIS 45 CO -0.02 -0.83 1.34 -1.25 -0.00 0.00 0.00 174.74 173.99 2rpp s PRO 46 N 0.09 4.35 1.13 8.40 0.04 -1.26 -4.98 135.00 142.78 2rpp s PRO 46 Ca 0.15 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 2rpp s PRO 46 Cb -0.23 -3.24 0.25 0.00 0.04 0.00 0.00 34.50 31.32 2rpp s PRO 46 CO -0.03 -0.36 1.10 -1.25 0.04 0.00 0.00 177.00 176.50 2rpp s PRO 47 N 0.73 -0.64 0.23 0.56 0.04 -1.26 -4.91 135.00 129.74 2rpp s PRO 47 Ca 0.62 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 2rpp s PRO 47 Cb -0.36 -1.65 0.23 0.00 0.04 0.00 0.00 34.50 32.76 2rpp s PRO 47 CO 0.33 -3.37 1.76 0.87 0.04 0.00 0.00 177.00 176.63 2rpp h LYS 48 N -2.34 1.03 -0.68 4.56 1.79 -2.02 -2.77 116.57 116.15 2rpp h LYS 48 Ca -0.49 -0.23 -0.06 0.00 -2.18 0.00 0.00 60.65 57.69 2rpp h LYS 48 Cb 1.31 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2rpp h LYS 48 CO 0.43 0.91 0.17 0.77 -1.08 0.00 0.00 179.45 180.65 2rpp h SER 49 N 0.99 1.01 -3.92 0.86 0.02 -1.93 -3.43 113.55 107.15 2rpp h SER 49 Ca 0.21 -0.21 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2rpp h SER 49 Cb 0.33 -0.27 0.04 0.00 0.14 0.00 0.00 62.40 62.64 2rpp h SER 49 CO -0.00 0.97 0.48 0.00 -1.14 0.00 0.00 176.83 177.14 2rpp s GLN 51 N -2.18 4.35 -0.19 0.00 -0.44 0.70 -4.70 119.66 117.20 2rpp s GLN 51 Ca 0.55 1.24 -0.13 0.00 -2.50 0.00 0.00 55.36 54.52 2rpp s GLN 51 Cb -0.29 -3.57 -0.05 0.00 -1.64 0.00 0.00 33.01 27.46 2rpp s GLN 51 CO 0.37 -0.37 0.27 0.08 0.50 0.00 0.00 175.29 176.13 2rpp s VAL 52 N 2.27 5.31 0.63 1.34 1.01 -1.26 -4.55 120.40 125.15 2rpp s VAL 52 Ca 0.44 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 2rpp s VAL 52 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2rpp s VAL 52 CO 0.14 0.36 0.96 -0.70 0.00 0.00 0.00 175.10 175.86 2rpp s GLU 53 N 0.75 2.81 -0.35 2.72 2.12 0.23 -4.95 118.70 122.03 2rpp s GLU 53 Ca 0.14 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 2rpp s GLU 53 Cb -0.13 -2.20 -0.07 0.00 0.26 0.00 0.00 34.13 31.99 2rpp s GLU 53 CO 0.04 -0.85 2.29 0.09 -0.54 0.00 0.00 175.26 176.29 2rpp n ASN 54 N -2.73 2.69 -1.03 -1.70 4.13 -1.26 -1.53 115.26 113.83 2rpp n ASN 54 Ca 0.05 0.03 -0.12 0.00 1.68 0.00 0.00 54.58 56.22 2rpp n ASN 54 Cb 0.58 -1.49 -0.05 0.00 -1.54 0.00 0.00 39.78 37.27 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rpp n GLY 55 N 6.01 1.18 3.75 7.41 0.00 -1.26 -4.88 105.19 117.40 2rpp n GLY 55 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.97 1.93 -0.04 1.61 3.52 -0.58 -4.31 118.95 118.11 2rpp s ARG 56 Ca 0.00 -1.29 -0.17 0.00 -0.13 0.00 0.00 55.73 54.14 2rpp s ARG 56 Cb 0.00 0.57 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 2rpp s ARG 56 CO 0.00 -0.87 0.37 0.54 -0.81 0.00 0.00 175.30 174.54 2rpp s VAL 57 N -3.24 0.04 -0.06 7.11 0.11 -0.45 0.74 120.40 124.64 2rpp s VAL 57 Ca 0.17 -0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 58.70 2rpp s VAL 57 Cb -0.04 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 2rpp s VAL 57 CO 0.11 -0.19 0.47 -0.63 -3.33 0.00 0.00 175.10 171.52 2rpp s ILE 58 N -1.11 5.09 -0.15 7.04 1.01 -1.26 -0.81 121.20 131.01 2rpp s ILE 58 Ca -0.11 0.95 -0.22 0.00 0.00 0.00 0.00 60.65 61.26 2rpp s ILE 58 Cb -0.04 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2rpp s ILE 58 CO 0.05 0.42 0.68 0.00 0.00 0.00 0.00 174.94 176.09 2rpp s ALA 59 N -0.05 3.48 0.54 9.38 0.00 -0.64 -3.32 121.76 131.14 2rpp s ALA 59 Ca 0.26 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 2rpp s ALA 59 Cb -0.16 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2rpp s ALA 59 CO 0.12 -0.42 0.83 0.00 0.00 0.00 0.00 175.76 176.29 2rpp h PHE 61 N 0.68 -0.05 -0.12 0.00 3.57 -1.96 -3.32 116.94 115.75 2rpp h PHE 61 Ca -0.46 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.06 2rpp h PHE 61 Cb 1.37 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 2rpp h PHE 61 CO 0.37 0.49 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.45 2rpp h ASP 62 N -0.96 -0.18 -1.48 0.41 3.32 -1.92 -1.69 116.42 113.92 2rpp h ASP 62 Ca -0.01 0.05 0.45 0.00 0.02 0.00 0.00 57.03 57.54 2rpp h ASP 62 Cb 0.57 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 2rpp h ASP 62 CO 0.01 -0.07 1.02 0.77 -1.72 0.00 0.00 179.24 179.24 2rpp h SER 63 N -0.04 0.14 -0.64 6.45 4.64 -1.82 0.64 113.55 122.92 2rpp h SER 63 Ca 0.07 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.53 2rpp h SER 63 Cb 0.14 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 2rpp h SER 63 CO -0.15 -0.08 0.32 -0.07 -0.87 0.00 0.00 176.83 175.99 2rpp h LEU 64 N 0.06 0.44 -1.27 5.97 3.38 -1.40 -0.65 115.31 121.85 2rpp h LEU 64 Ca 0.80 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.74 2rpp h LEU 64 Cb 2.82 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 43.53 2rpp h LEU 64 CO -0.22 0.28 -0.35 0.11 0.09 0.00 0.00 178.44 178.35 2rpp h LYS 65 N 0.59 0.00 0.00 1.13 1.79 0.18 -3.47 116.57 116.79 2rpp h LYS 65 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2rpp h LYS 65 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2rpp h LYS 65 CO -0.22 0.35 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 2rpp n GLY 66 N -0.37 1.39 2.79 3.86 0.00 -0.25 -5.06 105.19 107.56 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 -0.38 0.93 -0.01 1.61 1.81 -1.26 -4.97 118.95 116.68 2rpp s ARG 67 Ca 0.00 -0.86 -0.03 0.00 -1.72 0.00 0.00 55.73 53.13 2rpp s ARG 67 Cb 0.00 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 2rpp s ARG 67 CO 0.00 -0.78 0.18 0.00 -0.68 0.00 0.00 175.30 174.02 2rpp n SER 69 N 0.95 2.49 -3.26 0.00 7.64 -1.26 -5.00 113.62 115.18 2rpp n SER 69 Ca -0.11 -0.02 -0.46 0.00 1.01 0.00 0.00 58.87 59.29 2rpp n SER 69 Cb 0.53 -0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.09 0.00 0.00 1.43 5.12 -1.26 -4.86 116.66 114.00 2rpp n ARG 70 Ca -0.27 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 2rpp n ARG 70 Cb 0.76 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 2rpp n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2rpp n GLU 71 N 3.69 0.00 -0.60 5.56 1.02 -1.26 -3.24 120.64 125.81 2rpp n GLU 71 Ca 0.28 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.59 2rpp n GLU 71 Cb -0.04 -1.27 0.05 0.00 -0.02 0.00 0.00 31.44 30.16 2rpp n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rpp n ASN 72 N -1.34 4.42 -3.68 1.62 4.13 -1.26 -4.97 115.26 114.18 2rpp n ASN 72 Ca 0.00 -2.73 -0.50 0.00 1.68 0.00 0.00 54.58 53.03 2rpp n ASN 72 Cb 0.00 -0.80 -0.07 0.00 -1.54 0.00 0.00 39.78 37.37 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 2.05 2.49 -4.16 0.00 0.00 -1.26 -4.45 118.16 112.83 2rpp n LYS 74 Ca 0.20 -2.28 -0.35 0.00 -0.00 0.00 0.00 58.31 55.88 2rpp n LYS 74 Cb 0.02 -1.51 -0.09 0.00 -0.00 0.00 0.00 35.03 33.44 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 -1.31 3.27 0.44 5.58 1.51 -1.26 -0.21 117.35 125.36 2rpp s TYR 75 Ca 0.42 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.45 2rpp s TYR 75 Cb 0.23 -1.92 -0.09 0.00 -0.11 0.00 0.00 41.96 40.07 2rpp s TYR 75 CO 0.31 0.39 1.05 -1.17 -1.11 0.00 0.00 175.55 175.02 2rpp s LEU 76 N -0.43 4.01 -0.58 -1.29 2.96 -1.21 -4.56 118.68 117.57 2rpp s LEU 76 Ca 0.09 2.01 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 2rpp s LEU 76 Cb -0.12 -4.35 0.15 0.00 0.50 0.00 0.00 46.19 42.37 2rpp s LEU 76 CO 0.02 -0.65 0.49 -1.00 -1.32 0.00 0.00 176.35 173.89 2rpp s HIS 77 N -1.78 3.43 0.52 5.38 3.76 -1.26 -0.95 115.29 124.39 2rpp s HIS 77 Ca 0.62 -1.77 -0.20 0.00 -0.15 0.00 0.00 55.06 53.56 2rpp s HIS 77 Cb -0.20 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.78 2rpp s HIS 77 CO 0.25 -0.99 1.14 -1.25 -0.85 0.00 0.00 174.74 173.04 2rpp s PRO 78 N 1.08 3.45 1.09 8.40 0.04 -1.26 -5.02 135.00 142.77 2rpp s PRO 78 Ca 0.08 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2rpp s PRO 78 Cb -0.24 -2.09 0.23 0.00 0.04 0.00 0.00 34.50 32.44 2rpp s PRO 78 CO -0.01 -0.78 1.10 -1.25 0.04 0.00 0.00 177.00 176.10 2rpp s PRO 79 N -3.16 -0.28 0.09 0.56 0.04 -1.26 -4.78 135.00 126.21 2rpp s PRO 79 Ca 0.71 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 2rpp s PRO 79 Cb -0.25 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2rpp s PRO 79 CO 0.28 -3.15 1.41 1.15 0.04 0.00 0.00 177.00 176.73 2rpp h THR 80 N -2.19 1.31 -0.18 1.26 2.02 -1.97 -0.36 112.91 112.81 2rpp h THR 80 Ca -0.51 -1.41 0.05 0.00 0.77 0.00 0.00 66.41 65.31 2rpp h THR 80 Cb 1.32 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2rpp h THR 80 CO 0.49 0.44 0.19 1.12 0.37 0.00 0.00 175.52 178.13 2rpp h HIS 81 N 0.35 0.00 0.10 3.16 2.07 -1.97 -2.12 115.15 116.73 2rpp h HIS 81 Ca 0.04 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.20 2rpp h HIS 81 Cb 0.80 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.76 2rpp h HIS 81 CO 0.07 0.00 -2.00 1.28 -3.07 0.00 0.00 177.93 174.22 2rpp n LEU 82 N -3.88 2.61 -0.43 6.12 4.77 -1.10 -4.18 117.00 120.91 2rpp n LEU 82 Ca 0.02 0.19 0.38 0.00 -0.03 0.00 0.00 56.01 56.57 2rpp n LEU 82 Cb 0.32 -1.09 0.65 0.00 -2.33 0.00 0.00 43.42 40.97 2rpp n LEU 82 CO 0.28 0.82 1.17 0.29 -1.33 0.00 0.00 177.39 178.63 2rpp n LYS 83 N -3.54 -0.04 0.04 3.23 5.02 -0.16 -0.66 118.16 122.05 2rpp n LYS 83 Ca -0.34 1.29 -0.12 0.00 -2.02 0.00 0.00 58.31 57.12 2rpp n LYS 83 Cb 1.01 -2.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 2rpp n LYS 83 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2rpp h THR 84 N 0.00 0.00 -1.80 -0.18 2.02 -1.71 0.11 112.91 111.35 2rpp h THR 84 Ca 0.87 0.00 0.54 0.00 0.77 0.00 0.00 66.41 68.59 2rpp h THR 84 Cb 2.66 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.98 2rpp h THR 84 CO -0.56 0.00 1.27 0.06 0.37 0.00 0.00 175.52 176.66 2rpp h GLN 85 N -0.52 0.01 0.12 6.66 3.07 -1.14 0.86 115.11 124.17 2rpp h GLN 85 Ca 0.01 -0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.55 2rpp h GLN 85 Cb 0.56 -0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.13 2rpp h GLN 85 CO -0.28 0.00 -0.97 -0.07 0.09 0.00 0.00 178.83 177.60 2rpp h LEU 86 N 0.01 0.39 -0.62 0.06 3.38 -0.95 -3.35 115.31 114.22 2rpp h LEU 86 Ca 0.90 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2rpp h LEU 86 Cb 3.46 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 44.05 2rpp h LEU 86 CO -0.11 1.44 0.39 -0.33 0.09 0.00 0.00 178.44 179.92 2rpp h GLU 87 N -0.42 0.75 -0.89 1.13 5.08 0.29 -3.03 114.58 117.49 2rpp h GLU 87 Ca -0.19 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2rpp h GLU 87 Cb 1.62 -0.17 -0.11 0.00 0.50 0.00 0.00 28.75 30.59 2rpp h GLU 87 CO 0.10 0.49 -0.51 -0.89 -1.00 0.00 0.00 179.01 177.20 2rpp n ILE 88 N -4.71 -0.59 -4.02 3.13 5.41 0.27 -4.08 119.36 114.77 2rpp n ILE 88 Ca 0.06 2.15 -0.35 0.00 1.00 0.00 0.00 62.75 65.61 2rpp n ILE 88 Cb 0.07 -2.68 -0.12 0.00 -0.71 0.00 0.00 39.64 36.20 2rpp n ILE 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2rpp s ASN 89 N -5.43 5.17 0.16 4.38 4.22 -1.14 -5.10 114.94 117.20 2rpp s ASN 89 Ca -0.11 -0.10 0.02 0.00 -2.14 0.00 0.00 52.86 50.53 2rpp s ASN 89 Cb 0.11 -1.89 -0.05 0.00 1.28 0.00 0.00 41.25 40.70 2rpp s ASN 89 CO 0.56 0.09 -0.03 -0.44 -2.04 0.00 0.00 177.10 175.24 2rpp s SER 90 N 0.87 1.38 0.00 3.54 0.01 -1.26 -4.85 113.70 113.39 2rpp s SER 90 Ca 0.02 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2rpp s SER 90 Cb -0.14 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2rpp s SER 90 CO 0.02 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2rpp n GLY 91 N -0.22 -3.59 0.19 3.44 0.00 -1.26 -4.81 105.19 98.93 2rpp n GLY 91 Ca -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 2rpp n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpp h PRO 92 N 0.00 0.25 -6.87 1.61 0.13 -2.01 -3.44 132.00 121.66 2rpp h PRO 92 Ca 0.00 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 64.45 2rpp h PRO 92 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 2rpp h PRO 92 CO 0.00 0.67 0.71 0.45 -0.23 0.00 0.00 178.00 179.60 2rpp n SER 93 N -3.98 3.53 -3.75 1.44 2.88 -1.26 -4.99 113.62 107.49 2rpp n SER 93 Ca -0.02 1.22 -0.05 0.00 -1.33 0.00 0.00 58.87 58.69 2rpp n SER 93 Cb 0.52 -1.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.38 2rpp n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rpp s SER 94 N -0.11 -0.19 0.00 -3.46 1.04 -1.26 -4.88 113.70 104.84 2rpp s SER 94 Ca 0.55 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2rpp s SER 94 Cb -0.50 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2rpp s SER 94 CO 0.62 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.38