#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 6.39 0.41 1.61 0.15 -1.26 -5.11 113.70 115.89 2rpp s SER 8 Ca 0.00 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.10 2rpp s SER 8 Cb 0.00 -2.01 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2rpp s SER 8 CO 0.00 0.23 0.49 -0.44 1.20 0.00 0.00 173.24 174.73 2rpp s SER 9 N -2.04 5.50 0.00 5.45 0.01 -1.26 -5.02 113.70 116.34 2rpp s SER 9 Ca 0.29 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2rpp s SER 9 Cb -0.13 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2rpp s SER 9 CO 0.20 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2rpp n GLY 10 N -1.73 0.41 3.74 3.44 0.00 -1.26 -5.09 105.19 104.70 2rpp n GLY 10 Ca 0.06 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.00 4.77 0.07 1.61 0.15 -1.26 -5.04 113.70 110.01 2rpp s SER 11 Ca 0.00 2.51 -0.12 0.00 0.70 0.00 0.00 55.95 59.05 2rpp s SER 11 Cb 0.00 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2rpp s SER 11 CO 0.00 -1.89 0.27 -0.44 1.20 0.00 0.00 173.24 172.38 2rpp s SER 12 N -1.53 -0.04 0.00 5.45 0.01 -1.26 -5.15 113.70 111.19 2rpp s SER 12 Ca 0.80 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2rpp s SER 12 Cb -0.34 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2rpp s SER 12 CO 0.38 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2rpp n GLY 13 N 0.21 4.03 3.63 3.44 0.00 -1.26 -5.13 105.19 110.11 2rpp n GLY 13 Ca -0.17 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -5.23 -0.57 0.33 1.61 0.04 -1.26 -5.08 135.00 124.84 2rpp s PRO 14 Ca 0.00 0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.29 2rpp s PRO 14 Cb 0.00 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 2rpp s PRO 14 CO 0.00 -3.33 0.16 0.14 0.04 0.00 0.00 177.00 174.01 2rpp s VAL 15 N -2.99 3.20 -0.07 -0.36 -7.23 -1.26 -5.05 120.40 106.65 2rpp s VAL 15 Ca 0.69 -1.64 0.18 0.00 -1.81 0.00 0.00 61.98 59.39 2rpp s VAL 15 Cb -0.14 -3.02 0.36 0.00 0.56 0.00 0.00 36.38 34.14 2rpp s VAL 15 CO 0.57 -0.20 1.16 -2.11 -0.31 0.00 0.00 175.10 174.20 2rpp n ARG 16 N -1.17 0.54 -2.80 4.82 0.00 -1.26 -5.02 116.66 111.77 2rpp n ARG 16 Ca -0.03 -2.27 -0.43 0.00 -0.00 0.00 0.00 57.85 55.12 2rpp n ARG 16 Cb 0.61 -0.63 -0.04 0.00 -0.00 0.00 0.00 32.46 32.40 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 -2.27 6.18 -0.56 2.89 1.11 -1.26 -4.91 116.67 117.83 2rpp s ASP 17 Ca 0.30 -0.87 0.06 0.00 0.18 0.00 0.00 52.55 52.22 2rpp s ASP 17 Cb 0.32 -2.44 0.29 0.00 1.07 0.00 0.00 42.92 42.16 2rpp s ASP 17 CO -0.10 -1.51 0.78 0.35 1.18 0.00 0.00 175.17 175.87 2rpp n THR 18 N 6.01 1.99 -0.12 -1.27 -2.24 -1.26 -4.82 114.28 112.57 2rpp n THR 18 Ca -0.02 -5.13 -0.18 0.00 -2.27 0.00 0.00 64.05 56.45 2rpp n THR 18 Cb 0.46 -1.70 -0.11 0.00 -2.10 0.00 0.00 70.33 66.89 2rpp n THR 18 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rpp n LYS 19 N 0.52 0.60 0.00 -0.78 5.02 -1.26 -4.41 118.16 117.84 2rpp n LYS 19 Ca 0.29 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 2rpp n LYS 19 Cb 0.44 -1.47 0.48 0.00 -0.02 0.00 0.00 35.03 34.45 2rpp n LYS 19 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2rpp n TRP 20 N -3.30 0.00 -1.44 2.13 4.27 -1.26 -3.79 117.44 114.05 2rpp n TRP 20 Ca -0.43 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.00 2rpp n TRP 20 Cb 0.94 -0.13 0.16 0.00 -1.36 0.00 0.00 31.31 30.92 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 -0.70 5.54 -4.69 5.67 4.77 -1.26 -4.80 117.00 121.54 2rpp n LEU 21 Ca 0.14 -3.93 -0.29 0.00 -0.03 0.00 0.00 56.01 51.90 2rpp n LEU 21 Cb 0.32 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2rpp n LEU 21 CO 0.24 1.34 -0.33 0.42 -1.33 0.00 0.00 177.39 177.73 2rpp s THR 22 N -3.67 3.95 -0.07 -5.08 -4.23 -1.25 -0.43 115.64 104.86 2rpp s THR 22 Ca 0.52 -1.12 -0.08 0.00 -1.18 0.00 0.00 61.69 59.83 2rpp s THR 22 Cb 0.45 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2rpp s THR 22 CO 0.03 0.04 0.22 -0.76 -0.54 0.00 0.00 174.62 173.62 2rpp s LEU 23 N -2.52 1.17 0.08 4.79 1.43 -0.57 -4.94 118.68 118.12 2rpp s LEU 23 Ca 0.26 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.38 2rpp s LEU 23 Cb -0.11 0.81 -0.08 0.00 0.03 0.00 0.00 46.19 46.85 2rpp s LEU 23 CO 0.19 -0.16 1.49 -0.70 0.23 0.00 0.00 176.35 177.40 2rpp s GLU 24 N -0.25 4.26 0.17 1.70 2.56 -1.26 -2.50 118.70 123.38 2rpp s GLU 24 Ca -0.04 2.16 -0.30 0.00 0.00 0.00 0.00 54.97 56.79 2rpp s GLU 24 Cb -0.03 -3.41 -0.07 0.00 2.00 0.00 0.00 34.13 32.61 2rpp s GLU 24 CO 0.01 -0.58 1.05 0.08 -0.56 0.00 0.00 175.26 175.26 2rpp s VAL 25 N 1.86 4.03 -0.46 3.70 1.01 -1.26 -4.06 120.40 125.23 2rpp s VAL 25 Ca 0.68 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 64.15 2rpp s VAL 25 Cb -0.37 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2rpp s VAL 25 CO 0.30 0.32 2.36 0.00 0.00 0.00 0.00 175.10 178.08 2rpp n ARG 27 N 8.74 -0.24 0.03 0.00 1.74 -1.26 -0.09 116.66 125.58 2rpp n ARG 27 Ca 0.40 1.34 -0.12 0.00 -0.77 0.00 0.00 57.85 58.70 2rpp n ARG 27 Cb 0.40 -1.99 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 2rpp n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2rpp h GLN 28 N 0.00 -0.44 -0.91 5.56 1.08 -1.95 -2.24 115.11 116.21 2rpp h GLN 28 Ca 0.27 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.66 2rpp h GLN 28 Cb 0.49 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 27.87 2rpp h GLN 28 CO -0.86 -0.29 -0.35 0.35 -0.95 0.00 0.00 178.83 176.73 2rpp h PHE 29 N -0.46 -0.95 -0.66 2.96 3.57 -0.84 0.41 116.94 120.97 2rpp h PHE 29 Ca 0.08 0.10 0.13 0.00 3.53 0.00 0.00 57.97 61.80 2rpp h PHE 29 Cb 0.58 0.55 -0.13 0.00 2.79 0.00 0.00 35.95 39.74 2rpp h PHE 29 CO -0.40 -0.40 -0.26 1.96 -2.23 0.00 0.00 178.31 176.98 2rpp h GLN 30 N -0.03 -0.07 0.00 1.11 1.08 -0.91 0.32 115.11 116.61 2rpp h GLN 30 Ca 0.34 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.44 2rpp h GLN 30 Cb 0.60 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2rpp h GLN 30 CO -0.93 -0.05 -0.54 0.00 -0.95 0.00 0.00 178.83 176.37 2rpp h ARG 31 N -0.08 0.00 -0.03 1.46 3.08 -0.51 -3.47 114.38 114.83 2rpp h ARG 31 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2rpp h ARG 31 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2rpp h ARG 31 CO -0.72 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.13 2rpp n GLY 32 N 0.04 1.52 0.41 0.04 0.00 0.11 -5.00 105.19 102.32 2rpp n GLY 32 Ca -0.01 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.56 2.06 -3.48 2.61 -2.24 -1.09 -4.95 114.28 105.62 2rpp n THR 33 Ca 0.00 -2.14 -0.43 0.00 -2.27 0.00 0.00 64.05 59.21 2rpp n THR 33 Cb 0.12 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 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 5.10 6.63 -4.32 0.00 3.41 -1.26 -4.91 113.62 118.27 2rpp n SER 35 Ca -0.12 -3.69 -0.32 0.00 -0.26 0.00 0.00 58.87 54.48 2rpp n SER 35 Cb 0.45 -0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 63.30 2rpp n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rpp s ARG 36 N -3.57 2.98 1.40 4.33 0.52 -1.26 -5.09 118.95 118.26 2rpp s ARG 36 Ca 0.61 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.80 2rpp s ARG 36 Cb 0.49 -2.39 0.36 0.00 0.52 0.00 0.00 34.95 33.92 2rpp s ARG 36 CO 0.02 0.30 0.95 0.45 0.02 0.00 0.00 175.30 177.04 2rpp s SER 37 N 0.09 -0.85 0.16 0.23 0.15 -1.26 -4.54 113.70 107.68 2rpp s SER 37 Ca -0.09 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.29 2rpp s SER 37 Cb -0.15 -1.18 0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2rpp s SER 37 CO 0.06 -5.23 1.60 -0.78 1.20 0.00 0.00 173.24 170.08 2rpp h ASP 38 N -3.33 0.94 -0.02 5.45 3.58 -1.94 -0.56 116.42 120.54 2rpp h ASP 38 Ca -0.44 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 56.69 2rpp h ASP 38 Cb 1.33 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2rpp h ASP 38 CO 0.29 1.04 0.00 -0.62 -2.88 0.00 0.00 179.24 177.07 2rpp n GLU 39 N -4.25 1.52 -0.12 0.28 1.02 -1.26 -3.86 120.64 113.97 2rpp n GLU 39 Ca 0.01 -0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 56.23 2rpp n GLU 39 Cb 0.35 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.07 0.66 -3.34 3.49 2.13 -0.97 -4.96 120.64 117.57 2rpp n GLU 40 Ca 0.20 0.13 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 2rpp n GLU 40 Cb 0.30 -1.52 -0.06 0.00 0.27 0.00 0.00 31.44 30.43 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 0.90 1.56 -4.22 0.00 0.00 -1.26 -4.86 118.16 110.27 2rpp n LYS 42 Ca -0.06 -1.28 -0.13 0.00 -0.00 0.00 0.00 58.31 56.84 2rpp n LYS 42 Cb 0.52 -1.51 -0.10 0.00 -0.00 0.00 0.00 35.03 33.94 2rpp n LYS 42 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2rpp s PHE 43 N -1.41 1.23 -0.15 5.58 0.08 -1.26 -5.04 117.98 117.01 2rpp s PHE 43 Ca 0.24 -1.34 -0.12 0.00 0.12 0.00 0.00 56.93 55.83 2rpp s PHE 43 Cb 0.20 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 2rpp s PHE 43 CO 0.05 -0.58 0.25 0.00 -0.10 0.00 0.00 175.22 174.84 2rpp s ALA 44 N -4.08 3.66 -0.49 5.36 0.00 -1.26 -4.92 121.76 120.04 2rpp s ALA 44 Ca 0.38 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2rpp s ALA 44 Cb 0.07 -2.29 0.13 0.00 0.00 0.00 0.00 23.12 21.03 2rpp s ALA 44 CO 0.12 0.20 0.23 -1.01 0.00 0.00 0.00 175.76 175.30 2rpp s HIS 45 N 0.14 3.35 -0.03 0.00 0.09 -1.26 -3.07 115.29 114.51 2rpp s HIS 45 Ca 0.15 -3.06 -0.30 0.00 -0.00 0.00 0.00 55.06 51.85 2rpp s HIS 45 Cb -0.13 -2.90 -0.05 0.00 -0.00 0.00 0.00 32.58 29.50 2rpp s HIS 45 CO 0.03 -0.81 1.47 -1.25 -0.00 0.00 0.00 174.74 174.19 2rpp s PRO 46 N 0.05 4.24 1.00 8.40 0.04 -1.26 -4.96 135.00 142.50 2rpp s PRO 46 Ca 0.15 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2rpp s PRO 46 Cb -0.24 -3.72 0.19 0.00 0.04 0.00 0.00 34.50 30.77 2rpp s PRO 46 CO -0.02 -0.68 1.09 -1.25 0.04 0.00 0.00 177.00 176.18 2rpp s PRO 47 N 3.03 0.46 0.21 0.56 0.04 -1.26 -4.90 135.00 133.13 2rpp s PRO 47 Ca 0.66 0.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2rpp s PRO 47 Cb -0.31 -1.74 0.23 0.00 0.04 0.00 0.00 34.50 32.72 2rpp s PRO 47 CO 0.26 -2.72 1.82 0.87 0.04 0.00 0.00 177.00 177.27 2rpp h LYS 48 N -1.89 0.71 -0.86 4.56 1.79 -2.01 -2.01 116.57 116.87 2rpp h LYS 48 Ca -0.54 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 57.93 2rpp h LYS 48 Cb 1.33 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.76 2rpp h LYS 48 CO 0.57 0.47 0.54 0.77 -1.08 0.00 0.00 179.45 180.72 2rpp h SER 49 N 0.73 0.87 -3.55 0.86 0.02 -1.92 -3.41 113.55 107.15 2rpp h SER 49 Ca 0.30 0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.74 2rpp h SER 49 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2rpp h SER 49 CO -0.17 0.58 0.41 0.00 -1.14 0.00 0.00 176.83 176.51 2rpp s GLN 51 N -0.11 4.38 -0.15 0.00 0.74 0.60 -4.58 119.66 120.54 2rpp s GLN 51 Ca 0.48 2.12 -0.03 0.00 0.05 0.00 0.00 55.36 57.98 2rpp s GLN 51 Cb -0.26 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 2rpp s GLN 51 CO 0.32 -0.24 -0.06 0.08 -0.55 0.00 0.00 175.29 174.84 2rpp s VAL 52 N -0.24 3.68 0.61 1.34 1.01 -1.26 -4.63 120.40 120.91 2rpp s VAL 52 Ca 0.55 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2rpp s VAL 52 Cb -0.38 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2rpp s VAL 52 CO 0.42 0.51 0.90 -0.70 0.00 0.00 0.00 175.10 176.23 2rpp s GLU 53 N 0.30 2.67 -0.38 2.72 2.56 0.24 -4.95 118.70 121.87 2rpp s GLU 53 Ca -0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.40 2rpp s GLU 53 Cb -0.14 -2.29 -0.09 0.00 2.00 0.00 0.00 34.13 33.61 2rpp s GLU 53 CO 0.04 -0.82 2.29 0.27 -0.56 0.00 0.00 175.26 176.48 2rpp n ASN 54 N -2.61 2.46 -1.21 -1.70 6.94 -1.26 -1.41 115.26 116.48 2rpp n ASN 54 Ca 0.06 0.09 -0.13 0.00 -0.02 0.00 0.00 54.58 54.57 2rpp n ASN 54 Cb 0.59 -1.43 -0.06 0.00 -2.36 0.00 0.00 39.78 36.52 2rpp n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2rpp n GLY 55 N 6.14 1.23 3.71 4.83 0.00 -1.26 -4.87 105.19 114.96 2rpp n GLY 55 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.00 1.77 -0.11 1.61 3.52 -0.50 -4.03 118.95 118.21 2rpp s ARG 56 Ca 0.00 -1.24 -0.17 0.00 -0.13 0.00 0.00 55.73 54.19 2rpp s ARG 56 Cb 0.00 0.54 0.04 0.00 -1.56 0.00 0.00 34.95 33.97 2rpp s ARG 56 CO 0.00 -0.78 0.42 0.54 -0.81 0.00 0.00 175.30 174.67 2rpp s VAL 57 N -3.63 0.02 0.23 7.11 0.11 -1.04 0.82 120.40 124.02 2rpp s VAL 57 Ca 0.18 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 2rpp s VAL 57 Cb -0.03 -0.65 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 2rpp s VAL 57 CO 0.10 -0.08 0.62 -0.63 -3.33 0.00 0.00 175.10 171.78 2rpp s ILE 58 N -0.39 4.79 -0.15 7.04 1.01 -1.26 -1.51 121.20 130.73 2rpp s ILE 58 Ca -0.05 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 61.32 2rpp s ILE 58 Cb -0.03 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2rpp s ILE 58 CO 0.03 0.03 0.18 0.00 0.00 0.00 0.00 174.94 175.18 2rpp s ALA 59 N -1.71 3.74 0.53 9.38 0.00 0.42 -3.07 121.76 131.05 2rpp s ALA 59 Ca 0.46 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 2rpp s ALA 59 Cb -0.13 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 2rpp s ALA 59 CO 0.20 0.33 1.29 0.00 0.00 0.00 0.00 175.76 177.58 2rpp h PHE 61 N 1.56 -0.35 -0.06 0.00 3.57 -1.97 -3.28 116.94 116.40 2rpp h PHE 61 Ca -0.50 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.02 2rpp h PHE 61 Cb 1.29 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 2rpp h PHE 61 CO 0.48 -0.03 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.88 2rpp h ASP 62 N -0.97 -0.62 -1.06 0.41 3.32 -1.93 -1.65 116.42 113.92 2rpp h ASP 62 Ca -0.04 0.10 0.41 0.00 0.02 0.00 0.00 57.03 57.52 2rpp h ASP 62 Cb 0.48 0.27 -0.16 0.00 0.22 0.00 0.00 39.33 40.15 2rpp h ASP 62 CO 0.06 -0.27 0.62 -1.54 -1.72 0.00 0.00 179.24 176.39 2rpp n SER 63 N -5.34 0.28 -0.23 6.45 3.41 -1.25 0.11 113.62 117.05 2rpp n SER 63 Ca -0.04 1.47 0.04 0.00 -0.26 0.00 0.00 58.87 60.07 2rpp n SER 63 Cb 0.25 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.01 -1.40 1.04 3.38 -1.35 0.26 115.31 117.22 2rpp h LEU 64 Ca 0.81 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.85 2rpp h LEU 64 Cb 2.30 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 43.22 2rpp h LEU 64 CO -0.62 -0.02 -0.27 0.11 0.09 0.00 0.00 178.44 177.72 2rpp h LYS 65 N 0.26 0.04 0.00 1.13 1.79 0.70 -3.47 116.57 117.02 2rpp h LYS 65 Ca 0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2rpp h LYS 65 Cb 0.61 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2rpp h LYS 65 CO -0.48 0.31 0.00 0.41 -1.08 0.00 0.00 179.45 178.62 2rpp n GLY 66 N -0.71 1.47 2.79 3.86 0.00 0.90 -5.06 105.19 108.44 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 -0.37 0.91 0.13 1.61 0.52 -1.26 -4.97 118.95 115.52 2rpp s ARG 67 Ca 0.00 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 2rpp s ARG 67 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 2rpp s ARG 67 CO 0.00 -0.80 0.26 0.00 0.02 0.00 0.00 175.30 174.77 2rpp n SER 69 N -0.32 2.45 -4.53 0.00 3.41 -1.26 -4.93 113.62 108.44 2rpp n SER 69 Ca -0.07 -0.03 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 2rpp n SER 69 Cb 0.53 0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 2rpp n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rpp n ARG 70 N -2.64 0.65 -0.04 4.33 5.12 -1.26 -4.82 116.66 118.00 2rpp n ARG 70 Ca -0.22 -0.06 -0.07 0.00 -1.93 0.00 0.00 57.85 55.58 2rpp n ARG 70 Cb 0.83 -2.78 -0.05 0.00 -1.16 0.00 0.00 32.46 29.31 2rpp n ARG 70 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2rpp h GLU 71 N 16.59 -0.22 -1.37 5.56 4.81 -2.05 -1.50 114.58 136.39 2rpp h GLU 71 Ca -0.16 0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.62 2rpp h GLU 71 Cb 1.26 0.05 -0.20 0.00 0.63 0.00 0.00 28.75 30.50 2rpp h GLU 71 CO 1.24 -0.15 0.59 0.27 -0.73 0.00 0.00 179.01 180.24 2rpp n ASN 72 N -3.92 6.94 -3.87 1.04 6.94 -1.26 -4.99 115.26 116.14 2rpp n ASN 72 Ca -0.02 -3.35 -0.55 0.00 -0.02 0.00 0.00 54.58 50.64 2rpp n ASN 72 Cb 0.17 -1.04 -0.08 0.00 -2.36 0.00 0.00 39.78 36.47 2rpp n ASN 72 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rpp n LYS 74 N 3.02 1.33 -5.00 0.00 2.85 -1.26 -4.21 118.16 114.90 2rpp n LYS 74 Ca 0.24 -0.51 -0.32 0.00 -1.05 0.00 0.00 58.31 56.68 2rpp n LYS 74 Cb -0.03 -1.23 -0.14 0.00 -0.65 0.00 0.00 35.03 32.97 2rpp n LYS 74 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2rpp s TYR 75 N -1.86 2.51 0.44 5.58 1.51 -1.26 -0.29 117.35 123.99 2rpp s TYR 75 Ca 0.21 -0.30 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 2rpp s TYR 75 Cb 0.10 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.34 2rpp s TYR 75 CO 0.16 0.11 1.08 -1.17 -1.11 0.00 0.00 175.55 174.62 2rpp s LEU 76 N -0.86 4.01 -0.48 -1.29 2.96 -1.18 -4.60 118.68 117.25 2rpp s LEU 76 Ca 0.12 2.08 -0.10 0.00 -0.22 0.00 0.00 54.13 56.00 2rpp s LEU 76 Cb -0.10 -4.32 0.12 0.00 0.50 0.00 0.00 46.19 42.39 2rpp s LEU 76 CO 0.01 -0.70 0.36 -1.00 -1.32 0.00 0.00 176.35 173.70 2rpp s HIS 77 N -1.72 3.39 0.52 5.38 3.76 -1.26 -1.36 115.29 124.00 2rpp s HIS 77 Ca 0.62 -1.76 -0.20 0.00 -0.15 0.00 0.00 55.06 53.57 2rpp s HIS 77 Cb -0.22 -3.51 -0.06 0.00 1.11 0.00 0.00 32.58 29.89 2rpp s HIS 77 CO 0.27 -0.99 1.14 -1.25 -0.85 0.00 0.00 174.74 173.06 2rpp s PRO 78 N 1.40 3.45 1.02 8.40 0.04 -1.26 -4.98 135.00 143.06 2rpp s PRO 78 Ca 0.05 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2rpp s PRO 78 Cb -0.27 -2.10 0.20 0.00 0.04 0.00 0.00 34.50 32.38 2rpp s PRO 78 CO 0.00 -0.78 1.09 -1.25 0.04 0.00 0.00 177.00 176.11 2rpp s PRO 79 N -3.15 0.29 0.10 0.56 0.04 -1.26 -4.72 135.00 126.86 2rpp s PRO 79 Ca 0.71 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 2rpp s PRO 79 Cb -0.25 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2rpp s PRO 79 CO 0.29 -2.81 1.57 1.15 0.04 0.00 0.00 177.00 177.23 2rpp h THR 80 N -1.95 1.24 -0.04 1.26 2.02 -1.97 0.20 112.91 113.67 2rpp h THR 80 Ca -0.55 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 65.83 2rpp h THR 80 Cb 1.33 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2rpp h THR 80 CO 0.58 0.26 0.16 1.12 0.37 0.00 0.00 175.52 178.01 2rpp h HIS 81 N 0.29 0.00 0.01 3.16 2.07 -1.99 -2.53 115.15 116.16 2rpp h HIS 81 Ca 0.09 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.23 2rpp h HIS 81 Cb 0.35 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.28 2rpp h HIS 81 CO 0.02 0.00 -2.13 1.28 -3.07 0.00 0.00 177.93 174.04 2rpp n LEU 82 N -3.17 2.14 -0.31 6.12 4.77 -0.92 -4.35 117.00 121.28 2rpp n LEU 82 Ca -0.02 0.28 0.28 0.00 -0.03 0.00 0.00 56.01 56.53 2rpp n LEU 82 Cb 0.23 -0.90 0.50 0.00 -2.33 0.00 0.00 43.42 40.92 2rpp n LEU 82 CO 0.19 0.57 0.90 1.17 -1.33 0.00 0.00 177.39 178.90 2rpp n LYS 83 N -4.09 -0.04 -0.21 3.23 4.81 0.65 0.12 118.16 122.64 2rpp n LYS 83 Ca -0.45 1.06 0.01 0.00 -0.87 0.00 0.00 58.31 58.06 2rpp n LYS 83 Cb 0.86 -1.97 0.10 0.00 0.02 0.00 0.00 35.03 34.04 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 0.46 -0.74 3.15 2.02 -1.74 -0.16 112.91 115.89 2rpp h THR 84 Ca 0.69 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 68.00 2rpp h THR 84 Cb 2.00 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 68.65 2rpp h THR 84 CO -0.51 0.02 0.14 1.56 0.37 0.00 0.00 175.52 177.10 2rpp h GLN 85 N 0.10 0.21 -0.01 6.66 4.20 0.65 -0.89 115.11 126.03 2rpp h GLN 85 Ca 0.33 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.05 2rpp h GLN 85 Cb 0.53 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2rpp h GLN 85 CO -0.56 0.14 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.52 2rpp h LEU 86 N 0.22 -0.45 -0.43 1.46 3.38 -1.12 -2.49 115.31 115.88 2rpp h LEU 86 Ca 0.42 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.55 2rpp h LEU 86 Cb 0.74 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 2rpp h LEU 86 CO -0.56 -0.21 -0.25 -0.33 0.09 0.00 0.00 178.44 177.19 2rpp h GLU 87 N -0.25 -0.15 -0.10 1.13 5.08 -0.94 -2.25 114.58 117.10 2rpp h GLU 87 Ca 0.05 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2rpp h GLU 87 Cb 0.32 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2rpp h GLU 87 CO -0.15 -0.10 -0.47 0.82 -1.00 0.00 0.00 179.01 178.10 2rpp h ILE 88 N -0.16 0.08 -0.26 3.13 2.04 -1.09 -2.99 117.51 118.26 2rpp h ILE 88 Ca 0.20 0.00 -0.72 0.00 1.00 0.00 0.00 64.86 65.34 2rpp h ILE 88 Cb 0.48 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 2rpp h ILE 88 CO -0.53 0.00 2.93 -3.20 0.00 0.00 0.00 178.15 177.35 2rpp n ASN 89 N -5.44 4.12 -3.88 1.72 2.85 -0.85 -4.82 115.26 108.96 2rpp n ASN 89 Ca -0.05 -2.89 -0.30 0.00 -0.11 0.00 0.00 54.58 51.23 2rpp n ASN 89 Cb 0.38 -1.62 -0.14 0.00 1.24 0.00 0.00 39.78 39.63 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 2.74 4.13 0.00 1.20 0.15 -1.13 -4.73 113.70 116.05 2rpp s SER 90 Ca 0.46 -2.92 0.00 0.00 0.70 0.00 0.00 55.95 54.18 2rpp s SER 90 Cb 0.13 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2rpp s SER 90 CO -0.07 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2rpp n GLY 91 N 3.20 -0.82 1.13 9.45 0.00 -1.26 -5.13 105.19 111.76 2rpp n GLY 91 Ca 0.06 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2rpp n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rpp n PRO 92 N -0.73 -1.70 -4.66 1.61 -0.04 -1.26 -4.94 135.00 123.27 2rpp n PRO 92 Ca 0.00 -0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 62.59 2rpp n PRO 92 Cb 0.00 -0.53 -0.17 0.00 -0.04 0.00 0.00 33.50 32.77 2rpp n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2rpp s SER 93 N -2.46 2.73 -0.15 3.54 1.04 -1.26 -5.08 113.70 112.07 2rpp s SER 93 Ca 0.23 -0.50 -0.38 0.00 0.48 0.00 0.00 55.95 55.78 2rpp s SER 93 Cb -0.02 -1.24 -0.18 0.00 0.10 0.00 0.00 66.02 64.67 2rpp s SER 93 CO 0.18 0.06 1.11 -0.24 0.98 0.00 0.00 173.24 175.33 2rpp n SER 94 N 4.02 0.35 0.00 7.02 2.88 -1.26 -5.34 113.62 121.28 2rpp n SER 94 Ca -0.20 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2rpp n SER 94 Cb 0.52 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2rpp n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42