#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpr s SER 2 N 0.00 3.85 0.35 1.61 0.15 -1.26 -5.14 113.70 113.25 2rpr s SER 2 Ca 0.00 -0.48 0.09 0.00 0.70 0.00 0.00 55.95 56.26 2rpr s SER 2 Cb 0.00 -0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 63.66 2rpr s SER 2 CO 0.00 0.22 -0.04 -0.94 1.20 0.00 0.00 173.24 173.68 2rpr s SER 3 N -1.74 3.95 0.75 5.45 1.04 -1.26 -5.14 113.70 116.75 2rpr s SER 3 Ca 0.16 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2rpr s SER 3 Cb -0.11 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2rpr s SER 3 CO 0.07 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2rpr n GLY 4 N -0.88 -3.17 1.41 7.32 0.00 -1.26 -5.05 105.19 103.56 2rpr n GLY 4 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2rpr n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rpr n SER 5 N -2.25 0.53 -4.41 1.61 3.41 -1.26 -4.94 113.62 106.31 2rpr n SER 5 Ca 0.00 0.25 -0.44 0.00 -0.26 0.00 0.00 58.87 58.41 2rpr n SER 5 Cb 0.00 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2rpr n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2rpr s SER 6 N -5.48 7.14 0.07 4.04 0.01 -1.26 -4.97 113.70 113.26 2rpr s SER 6 Ca 0.00 -3.18 -0.08 0.00 1.31 0.00 0.00 55.95 54.00 2rpr s SER 6 Cb 0.00 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2rpr s SER 6 CO 0.00 -0.57 0.16 -0.83 0.41 0.00 0.00 173.24 172.40 2rpr s GLY 7 N 2.25 0.13 -0.48 3.44 0.00 -1.26 -5.12 107.32 106.28 2rpr s GLY 7 Ca 0.37 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 2rpr s GLY 7 CO -0.04 -0.80 0.29 -2.27 0.00 0.00 0.00 173.10 170.28 2rpr s LEU 8 N -2.69 5.31 0.13 0.66 2.96 -1.26 -5.09 118.68 118.70 2rpr s LEU 8 Ca 0.03 -2.26 -0.13 0.00 -0.22 0.00 0.00 54.13 51.55 2rpr s LEU 8 Cb 0.04 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 2rpr s LEU 8 CO -0.09 -0.51 0.50 -0.13 -1.32 0.00 0.00 176.35 174.80 2rpr s ARG 9 N 0.81 3.91 1.06 1.98 0.52 -1.26 -5.03 118.95 120.93 2rpr s ARG 9 Ca 0.11 0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 55.53 2rpr s ARG 9 Cb -0.22 -2.94 0.26 0.00 0.52 0.00 0.00 34.95 32.57 2rpr s ARG 9 CO -0.04 0.50 0.94 -0.35 0.02 0.00 0.00 175.30 176.37 2rpr n PRO 10 N 0.80 -2.85 -4.00 3.54 -0.04 -1.23 -3.60 135.00 127.61 2rpr n PRO 10 Ca -0.06 -1.51 -0.09 0.00 -0.04 0.00 0.00 63.50 61.81 2rpr n PRO 10 Cb 0.52 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 2rpr n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rpr s LEU 11 N 0.00 2.20 -0.06 1.53 2.96 -1.08 -4.72 118.68 119.51 2rpr s LEU 11 Ca 0.61 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2rpr s LEU 11 Cb -0.06 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 2rpr s LEU 11 CO 0.47 -0.42 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.30 2rpr s GLU 12 N -2.35 2.70 0.27 1.98 2.12 -1.23 -5.07 118.70 117.12 2rpr s GLU 12 Ca -0.08 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.69 2rpr s GLU 12 Cb -0.03 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2rpr s GLU 12 CO -0.04 0.65 0.15 -0.06 -0.54 0.00 0.00 175.26 175.43 2rpr s PHE 13 N -0.82 1.48 0.10 5.30 0.40 -1.26 -0.72 117.98 122.45 2rpr s PHE 13 Ca 0.13 -1.38 -0.10 0.00 -0.60 0.00 0.00 56.93 54.98 2rpr s PHE 13 Cb -0.11 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.67 2rpr s PHE 13 CO 0.02 -0.57 0.23 -0.51 0.70 0.00 0.00 175.22 175.09 2rpr s LEU 14 N -3.30 1.24 0.10 -0.37 1.43 -0.62 -4.78 118.68 112.39 2rpr s LEU 14 Ca 0.38 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2rpr s LEU 14 Cb 0.06 1.17 -0.04 0.00 0.03 0.00 0.00 46.19 47.41 2rpr s LEU 14 CO 0.16 -0.76 -0.19 -0.13 0.23 0.00 0.00 176.35 175.66 2rpr s ARG 15 N -3.86 1.81 -0.09 1.70 0.52 -1.26 -0.54 118.95 117.23 2rpr s ARG 15 Ca 0.05 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 2rpr s ARG 15 Cb 0.04 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 2rpr s ARG 15 CO -0.11 0.49 -0.16 0.95 0.02 0.00 0.00 175.30 176.50 2rpr s THR 16 N -1.07 2.86 0.14 0.02 -4.23 -0.32 -4.57 115.64 108.47 2rpr s THR 16 Ca 0.16 -0.76 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 2rpr s THR 16 Cb -0.10 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.60 2rpr s THR 16 CO 0.08 0.56 1.63 -1.28 -0.54 0.00 0.00 174.62 175.07 2rpr h SER 17 N 6.07 0.70 0.00 3.99 0.87 -1.97 -2.32 113.55 120.89 2rpr h SER 17 Ca -0.34 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2rpr h SER 17 Cb 1.18 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2rpr h SER 17 CO 0.52 0.77 0.47 -0.07 -0.53 0.00 0.00 176.83 177.99 2rpr h LEU 18 N 0.60 0.00 0.00 2.23 3.38 -2.05 -3.43 115.31 116.03 2rpr h LEU 18 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2rpr h LEU 18 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2rpr h LEU 18 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2rpr n GLY 19 N -1.28 0.75 3.88 0.83 0.00 -0.89 -5.16 105.19 103.32 2rpr n GLY 19 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.36 2rpr n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rpr n GLY 20 N 0.00 0.21 3.13 -0.02 0.00 -1.14 -5.01 105.19 102.36 2rpr n GLY 20 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 2rpr n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rpr s ARG 21 N -2.01 0.77 0.25 1.61 6.06 -1.26 -1.18 118.95 123.19 2rpr s ARG 21 Ca 0.30 -0.81 0.09 0.00 -2.50 0.00 0.00 55.73 52.81 2rpr s ARG 21 Cb -0.01 -0.73 -0.05 0.00 0.06 0.00 0.00 34.95 34.22 2rpr s ARG 21 CO -0.01 0.17 -0.15 -0.06 -2.50 0.00 0.00 175.30 172.75 2rpr s PHE 22 N -1.09 1.97 -0.17 5.12 0.08 0.30 -4.60 117.98 119.59 2rpr s PHE 22 Ca -0.02 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.53 2rpr s PHE 22 Cb -0.09 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2rpr s PHE 22 CO 0.01 0.48 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.29 2rpr s LEU 23 N -3.41 2.03 -0.46 -0.37 2.96 -0.81 -1.59 118.68 117.03 2rpr s LEU 23 Ca 0.26 -0.65 -0.19 0.00 -0.22 0.00 0.00 54.13 53.33 2rpr s LEU 23 Cb -0.01 -1.32 0.04 0.00 0.50 0.00 0.00 46.19 45.40 2rpr s LEU 23 CO 0.11 -0.06 0.55 -0.69 -1.32 0.00 0.00 176.35 174.94 2rpr s VAL 24 N 1.38 4.96 -0.08 1.68 1.01 0.10 -1.17 120.40 128.28 2rpr s VAL 24 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2rpr s VAL 24 Cb -0.14 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2rpr s VAL 24 CO -0.11 -0.61 0.19 -2.28 0.00 0.00 0.00 175.10 172.30 2rpr s HIS 25 N 2.45 -0.23 -1.64 5.22 5.04 -0.84 -3.57 115.29 121.72 2rpr s HIS 25 Ca 0.15 0.58 -0.03 0.00 -1.54 0.00 0.00 55.06 54.23 2rpr s HIS 25 Cb -0.17 0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.47 2rpr s HIS 25 CO 0.14 -0.16 0.37 0.39 -2.34 0.00 0.00 174.74 173.15 2rpr n GLU 26 N 3.71 -3.66 -1.90 2.88 -0.58 -1.26 -0.99 120.64 118.84 2rpr n GLU 26 Ca -0.20 0.94 -0.15 0.00 -0.42 0.00 0.00 57.16 57.32 2rpr n GLU 26 Cb 0.55 -5.73 -0.03 0.00 -0.57 0.00 0.00 31.44 25.66 2rpr n GLU 26 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2rpr n SER 27 N -2.33 -4.74 -4.22 1.62 7.64 -1.26 -4.82 113.62 105.51 2rpr n SER 27 Ca -0.16 0.17 -0.28 0.00 1.01 0.00 0.00 58.87 59.61 2rpr n SER 27 Cb 0.64 -3.75 -0.08 0.00 -1.01 0.00 0.00 64.21 60.02 2rpr n SER 27 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rpr s PHE 28 N -2.68 1.79 -0.05 1.43 0.08 -0.16 -4.11 117.98 114.27 2rpr s PHE 28 Ca 0.00 -1.25 0.03 0.00 0.12 0.00 0.00 56.93 55.83 2rpr s PHE 28 Cb 0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 2rpr s PHE 28 CO 0.00 -0.21 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.26 2rpr s LEU 29 N -3.69 1.78 0.28 -0.37 1.43 -1.26 -1.99 118.68 114.87 2rpr s LEU 29 Ca 0.18 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2rpr s LEU 29 Cb 0.01 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 2rpr s LEU 29 CO 0.12 0.08 -0.08 -0.31 0.23 0.00 0.00 176.35 176.39 2rpr s TYR 30 N 0.33 2.02 -0.06 0.29 1.51 -0.32 -0.54 117.35 120.59 2rpr s TYR 30 Ca -0.08 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 2rpr s TYR 30 Cb -0.13 -1.12 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 2rpr s TYR 30 CO 0.03 0.36 -0.21 1.03 -1.11 0.00 0.00 175.55 175.65 2rpr s ARG 31 N -3.69 2.21 -0.22 -0.62 0.52 0.15 -1.92 118.95 115.38 2rpr s ARG 31 Ca 0.29 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.48 2rpr s ARG 31 Cb 0.03 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.59 2rpr s ARG 31 CO 0.12 0.27 2.23 1.17 0.02 0.00 0.00 175.30 179.12 2rpr n LYS 32 N 3.16 1.96 -0.08 3.54 4.81 -1.26 -1.17 118.16 129.12 2rpr n LYS 32 Ca -0.18 0.53 -0.12 0.00 -0.87 0.00 0.00 58.31 57.67 2rpr n LYS 32 Cb 0.52 -3.24 -0.08 0.00 0.02 0.00 0.00 35.03 32.26 2rpr n LYS 32 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2rpr h GLU 33 N 15.14 0.00 -4.10 1.64 4.57 -0.79 -3.48 114.58 127.55 2rpr h GLU 33 Ca -0.41 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.61 2rpr h GLU 33 Cb 1.24 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.72 2rpr h GLU 33 CO 0.96 0.59 -0.33 -1.59 -1.18 0.00 0.00 179.01 177.46 2rpr s LYS 34 N -2.13 1.47 -0.14 1.92 -2.85 -1.21 -5.00 119.74 111.79 2rpr s LYS 34 Ca -0.17 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.30 2rpr s LYS 34 Cb 0.01 0.39 0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2rpr s LYS 34 CO 0.42 -0.57 -0.00 0.00 0.10 0.00 0.00 175.35 175.31 2rpr s ALA 35 N -3.94 1.03 0.70 0.59 0.00 -1.26 -0.39 121.76 118.48 2rpr s ALA 35 Ca 0.30 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2rpr s ALA 35 Cb 0.02 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.23 2rpr s ALA 35 CO 0.12 -0.81 0.63 0.00 0.00 0.00 0.00 175.76 175.70 2rpr n ALA 36 N 5.04 -0.15 -0.22 0.00 0.00 -0.47 -4.97 120.51 119.74 2rpr n ALA 36 Ca -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2rpr n ALA 36 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2rpr n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rpr n GLY 37 N 0.41 -2.88 2.23 0.00 0.00 -1.26 -3.28 105.19 100.40 2rpr n GLY 37 Ca 0.10 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 2rpr n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rpr n GLU 38 N -2.40 3.03 -4.07 1.61 4.71 -1.26 -5.05 120.64 117.21 2rpr n GLU 38 Ca 0.00 -3.96 -0.10 0.00 -0.01 0.00 0.00 57.16 53.09 2rpr n GLU 38 Cb 0.00 -2.07 -0.08 0.00 -1.01 0.00 0.00 31.44 28.28 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2rpr s LYS 39 N -3.63 1.23 -0.04 3.49 1.02 -1.21 -4.72 119.74 115.89 2rpr s LYS 39 Ca 0.44 -1.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 2rpr s LYS 39 Cb 0.38 0.35 0.03 0.00 -0.52 0.00 0.00 37.83 38.07 2rpr s LYS 39 CO 0.01 -0.44 0.02 0.08 -0.92 0.00 0.00 175.35 174.10 2rpr s VAL 40 N -4.05 0.09 0.04 3.17 1.01 0.13 -1.37 120.40 119.43 2rpr s VAL 40 Ca 0.26 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 2rpr s VAL 40 Cb 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 2rpr s VAL 40 CO 0.06 0.16 0.52 -0.31 0.00 0.00 0.00 175.10 175.53 2rpr s TYR 41 N 1.44 3.77 0.24 5.22 1.51 0.47 -0.10 117.35 129.90 2rpr s TYR 41 Ca -0.04 1.18 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2rpr s TYR 41 Cb -0.13 -2.44 -0.05 0.00 -0.11 0.00 0.00 41.96 39.23 2rpr s TYR 41 CO -0.03 0.59 0.05 -1.58 -1.11 0.00 0.00 175.55 173.46 2rpr s TRP 42 N -1.02 1.52 -0.18 2.71 0.52 0.70 -0.08 118.94 123.10 2rpr s TRP 42 Ca 0.27 -1.05 -0.10 0.00 0.02 0.00 0.00 56.10 55.24 2rpr s TRP 42 Cb -0.19 -0.89 0.06 0.00 -1.15 0.00 0.00 33.47 31.30 2rpr s TRP 42 CO 0.17 -0.19 0.44 0.00 0.02 0.00 0.00 176.95 177.39 2rpr s MET 43 N -3.95 0.43 -0.60 4.98 0.23 -0.32 -2.22 119.30 117.86 2rpr s MET 43 Ca 0.32 0.82 -0.37 0.00 -1.03 0.00 0.00 55.69 55.44 2rpr s MET 43 Cb 0.07 0.01 -0.17 0.00 -1.53 0.00 0.00 34.83 33.21 2rpr s MET 43 CO 0.10 -0.15 2.33 0.00 -2.03 0.00 0.00 175.02 175.27 2rpr h ARG 45 N 11.52 0.00 -1.10 0.00 0.11 -1.08 0.62 114.38 124.44 2rpr h ARG 45 Ca -0.14 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.80 2rpr h ARG 45 Cb 1.35 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.35 2rpr h ARG 45 CO 1.16 0.00 0.18 -0.25 0.10 0.00 0.00 179.97 181.16 2rpr n ASP 46 N -3.09 3.56 0.13 0.08 8.00 -1.26 -4.00 116.55 119.98 2rpr n ASP 46 Ca 0.11 -2.47 0.05 0.00 0.71 0.00 0.00 54.79 53.19 2rpr n ASP 46 Cb 1.08 -0.66 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 2rpr n ASP 46 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2rpr h GLN 47 N 0.40 0.00 0.00 -1.24 -0.00 0.14 0.57 115.11 114.97 2rpr h GLN 47 Ca 0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.61 2rpr h GLN 47 Cb 1.43 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.87 2rpr h GLN 47 CO 0.31 0.31 -2.03 0.00 0.00 0.00 0.00 178.83 177.42 2rpr n ALA 48 N -2.23 2.02 -0.12 3.38 0.00 -1.26 -3.14 120.51 119.17 2rpr n ALA 48 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 2rpr n ALA 48 Cb 0.69 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 2rpr n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rpr n ARG 49 N -2.63 0.57 -0.26 0.00 0.00 -1.25 -4.47 116.66 108.62 2rpr n ARG 49 Ca -0.18 0.30 0.09 0.00 -0.00 0.00 0.00 57.85 58.05 2rpr n ARG 49 Cb 0.90 -1.52 0.24 0.00 0.00 0.00 0.00 32.46 32.08 2rpr n ARG 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2rpr n LEU 50 N -4.34 2.84 -2.93 6.15 4.77 0.09 -4.92 117.00 118.65 2rpr n LEU 50 Ca -0.41 -1.40 -0.15 0.00 -0.03 0.00 0.00 56.01 54.03 2rpr n LEU 50 Cb 0.75 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2rpr n LEU 50 CO 0.09 0.70 -0.07 0.61 -1.33 0.00 0.00 177.39 177.39 2rpr n GLY 51 N 1.35 -0.49 3.67 -0.72 0.00 -0.69 -4.87 105.19 103.44 2rpr n GLY 51 Ca 0.18 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2rpr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpr n ARG 53 N 5.74 2.60 -3.06 0.00 5.12 -1.26 -3.91 116.66 121.89 2rpr n ARG 53 Ca 0.10 -3.27 -0.41 0.00 -1.93 0.00 0.00 57.85 52.34 2rpr n ARG 53 Cb 0.47 -2.25 -0.06 0.00 -1.16 0.00 0.00 32.46 29.47 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2rpr s SER 54 N -1.82 6.62 0.07 0.55 0.15 -1.26 -4.77 113.70 113.24 2rpr s SER 54 Ca 0.62 0.74 0.08 0.00 0.70 0.00 0.00 55.95 58.09 2rpr s SER 54 Cb 0.49 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2rpr s SER 54 CO 0.02 -0.42 -0.20 -0.13 1.20 0.00 0.00 173.24 173.72 2rpr s ARG 55 N 2.59 1.89 0.13 5.44 3.00 -1.26 -1.55 118.95 129.19 2rpr s ARG 55 Ca 0.28 -1.09 -0.01 0.00 0.00 0.00 0.00 55.73 54.91 2rpr s ARG 55 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 34.95 32.64 2rpr s ARG 55 CO 0.09 0.51 0.04 0.00 0.00 0.00 0.00 175.30 175.94 2rpr s ALA 56 N -0.99 0.89 -0.12 2.13 0.00 -0.94 -0.92 121.76 121.81 2rpr s ALA 56 Ca 0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2rpr s ALA 56 Cb -0.10 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2rpr s ALA 56 CO 0.06 -0.46 -0.03 0.42 0.00 0.00 0.00 175.76 175.75 2rpr s ILE 57 N -3.99 0.77 -0.03 0.00 1.01 0.11 -0.22 121.20 118.85 2rpr s ILE 57 Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2rpr s ILE 57 Cb 0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2rpr s ILE 57 CO 0.01 0.19 0.11 0.42 0.00 0.00 0.00 174.94 175.68 2rpr s THR 58 N 1.79 5.00 -0.25 2.92 -4.23 0.86 -0.22 115.64 121.51 2rpr s THR 58 Ca 0.03 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2rpr s THR 58 Cb -0.14 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.56 2rpr s THR 58 CO -0.07 0.40 0.39 0.00 -0.54 0.00 0.00 174.62 174.79 2rpr s GLN 59 N -1.64 0.36 3.38 3.99 1.03 -1.19 0.20 119.66 125.79 2rpr s GLN 59 Ca 0.22 0.52 0.00 0.00 0.04 0.00 0.00 55.36 56.14 2rpr s GLN 59 Cb -0.12 -0.42 0.00 0.00 0.03 0.00 0.00 33.01 32.50 2rpr s GLN 59 CO 0.13 -0.68 0.00 0.41 -2.54 0.00 0.00 175.29 172.62 2rpr n GLY 60 N 5.37 1.71 0.00 2.60 0.00 -1.26 -3.34 105.19 110.26 2rpr n GLY 60 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2rpr n GLY 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2rpr n HIS 61 N 0.00 0.00 -3.78 1.61 -0.00 -1.26 -5.01 115.22 106.78 2rpr n HIS 61 Ca 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 57.72 57.42 2rpr n HIS 61 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 29.97 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2rpr n ARG 62 N -0.15 1.05 -3.75 1.57 1.74 -1.21 -2.63 116.66 113.27 2rpr n ARG 62 Ca 0.00 -1.99 -0.11 0.00 -0.77 0.00 0.00 57.85 54.99 2rpr n ARG 62 Cb 0.21 0.24 -0.07 0.00 -1.02 0.00 0.00 32.46 31.83 2rpr n ARG 62 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2rpr s ILE 63 N -1.60 0.09 0.00 0.55 2.07 -1.26 -3.16 121.20 117.89 2rpr s ILE 63 Ca 0.16 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 2rpr s ILE 63 Cb -0.01 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 2rpr s ILE 63 CO 0.10 -0.42 -0.07 -0.32 -1.91 0.00 0.00 174.94 172.32 2rpr s MET 64 N -3.15 0.55 -0.07 3.50 -2.45 0.69 -4.95 119.30 113.42 2rpr s MET 64 Ca -0.01 -0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 2rpr s MET 64 Cb 0.01 -0.51 -0.03 0.00 1.25 0.00 0.00 34.83 35.56 2rpr s MET 64 CO -0.07 0.13 -0.10 0.08 1.05 0.00 0.00 175.02 176.12 2rpr s VAL 65 N -0.35 3.44 -0.13 10.11 1.01 -1.26 0.04 120.40 133.26 2rpr s VAL 65 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2rpr s VAL 65 Cb -0.04 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 2rpr s VAL 65 CO -0.00 0.58 -0.25 0.23 0.00 0.00 0.00 175.10 175.66 2rpr n MET 66 N 2.45 0.39 -4.83 2.72 2.81 -0.10 -4.96 117.12 115.60 2rpr n MET 66 Ca -0.18 0.16 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 2rpr n MET 66 Cb 0.53 -1.18 -0.14 0.00 -0.71 0.00 0.00 33.22 31.71 2rpr n MET 66 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2rpr s ARG 67 N -2.56 1.90 1.22 0.03 3.00 -1.21 -4.98 118.95 116.34 2rpr s ARG 67 Ca -0.23 -1.06 -0.20 0.00 -1.00 0.00 0.00 55.73 53.23 2rpr s ARG 67 Cb 0.05 -2.05 0.30 0.00 0.00 0.00 0.00 34.95 33.26 2rpr s ARG 67 CO 0.32 0.52 1.06 0.45 0.00 0.00 0.00 175.30 177.65 2rpr n SER 68 N 1.72 -2.19 -4.65 -2.12 2.88 -1.26 -4.13 113.62 103.87 2rpr n SER 68 Ca -0.17 -1.14 -0.32 0.00 -1.33 0.00 0.00 58.87 55.92 2rpr n SER 68 Cb 0.52 -0.98 -0.09 0.00 -0.75 0.00 0.00 64.21 62.90 2rpr n SER 68 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2rpr s HIS 69 N -2.89 2.98 -2.26 0.66 0.09 -1.26 -4.18 115.29 108.44 2rpr s HIS 69 Ca 0.69 0.01 0.20 0.00 -0.00 0.00 0.00 55.06 55.96 2rpr s HIS 69 Cb -0.07 -1.61 0.56 0.00 -0.00 0.00 0.00 32.58 31.46 2rpr s HIS 69 CO 0.53 0.43 1.45 0.00 -0.00 0.00 0.00 174.74 177.16 2rpr s HIS 71 N -1.59 1.09 0.07 0.00 -3.43 -1.26 -5.10 115.29 105.06 2rpr s HIS 71 Ca 0.34 -1.15 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 2rpr s HIS 71 Cb 0.19 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.68 2rpr s HIS 71 CO 0.26 -0.38 0.20 1.14 -2.00 0.00 0.00 174.74 173.97 2rpr s GLN 72 N -4.00 3.40 0.75 -0.38 -2.07 -1.26 -5.10 119.66 111.00 2rpr s GLN 72 Ca 0.26 -0.47 -0.12 0.00 -1.82 0.00 0.00 55.36 53.22 2rpr s GLN 72 Cb 0.07 -3.01 0.04 0.00 -1.09 0.00 0.00 33.01 29.02 2rpr s GLN 72 CO 0.04 0.60 1.10 -1.25 -1.32 0.00 0.00 175.29 174.46 2rpr s PRO 73 N -2.55 2.37 -0.35 9.60 0.04 -1.26 -5.05 135.00 137.81 2rpr s PRO 73 Ca 0.35 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 2rpr s PRO 73 Cb -0.13 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.64 2rpr s PRO 73 CO 0.28 -1.56 0.21 -0.51 0.04 0.00 0.00 177.00 175.45 2rpr s ASP 74 N -3.21 3.00 0.28 6.66 1.01 -1.26 -4.97 116.67 118.20 2rpr s ASP 74 Ca 0.62 -2.14 0.15 0.00 0.71 0.00 0.00 52.55 51.90 2rpr s ASP 74 Cb -0.18 -0.40 0.82 0.00 1.01 0.00 0.00 42.92 44.17 2rpr s ASP 74 CO 0.53 -0.32 1.40 0.18 0.21 0.00 0.00 175.17 177.17 2rpr n LEU 75 N 4.11 0.39 -0.02 1.23 4.77 -1.26 -1.43 117.00 124.78 2rpr n LEU 75 Ca 0.11 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2rpr n LEU 75 Cb 0.37 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2rpr n LEU 75 CO 0.14 -0.76 0.64 0.00 -1.33 0.00 0.00 177.39 176.08 2rpr h ALA 76 N 1.58 0.06 0.08 -1.18 0.00 -1.99 -1.61 119.26 116.20 2rpr h ALA 76 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 2rpr h ALA 76 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2rpr h ALA 76 CO 0.00 -0.18 -1.14 0.78 0.00 0.00 0.00 179.25 178.71 2rpr h GLY 77 N -0.35 0.19 1.11 0.00 0.00 -1.68 -3.27 103.07 99.07 2rpr h GLY 77 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 2rpr h GLY 77 CO 0.01 0.41 -0.17 -2.00 0.00 0.00 0.00 176.54 174.79 2rpr h LEU 78 N 0.04 1.04 -2.09 3.11 5.85 -1.48 -2.67 115.31 119.10 2rpr h LEU 78 Ca -0.08 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2rpr h LEU 78 Cb 1.89 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 2rpr h LEU 78 CO 0.17 1.18 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.04 2rpr h GLU 79 N 0.89 0.00 -0.14 1.25 4.39 -1.38 -2.05 114.58 117.53 2rpr h GLU 79 Ca 0.12 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 2rpr h GLU 79 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2rpr h GLU 79 CO 0.06 0.08 -0.58 0.00 -1.16 0.00 0.00 179.01 177.41 2rpr h ALA 80 N 1.92 0.73 0.14 3.43 0.00 -1.52 -3.15 119.26 120.80 2rpr h ALA 80 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2rpr h ALA 80 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rpr h ALA 80 CO 0.01 0.70 -0.07 -0.07 0.00 0.00 0.00 179.25 179.83 2rpr h LEU 81 N 0.35 -0.16 -2.30 0.00 3.38 -1.34 -2.39 115.31 112.86 2rpr h LEU 81 Ca 0.00 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2rpr h LEU 81 Cb 1.11 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2rpr h LEU 81 CO 0.10 0.06 0.23 0.03 0.09 0.00 0.00 178.44 178.96 2rpr h ARG 82 N -0.38 0.00 0.00 1.13 -0.00 -1.58 0.40 114.38 113.95 2rpr h ARG 82 Ca -0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.42 2rpr h ARG 82 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 2rpr h ARG 82 CO 0.03 0.00 -0.18 0.37 0.00 0.00 0.00 179.97 180.19 2rpr h GLN 83 N 0.00 0.00 0.00 0.04 5.75 -1.39 -3.29 115.11 116.22 2rpr h GLN 83 Ca 0.03 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2rpr h GLN 83 Cb 0.49 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 2rpr h GLN 83 CO -0.00 0.18 -0.11 0.00 -2.65 0.00 0.00 178.83 176.25 2rpr h ARG 84 N 0.00 0.00 -1.38 1.69 2.47 -0.09 -3.33 114.38 113.74 2rpr h ARG 84 Ca -0.00 0.00 0.42 0.00 -1.26 0.00 0.00 59.98 59.14 2rpr h ARG 84 Cb 1.07 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.29 2rpr h ARG 84 CO 0.02 0.33 0.93 1.05 0.56 0.00 0.00 179.97 182.86 2rpr h GLU 85 N -1.00 0.10 -5.80 0.04 4.11 -1.63 -3.38 114.58 107.02 2rpr h GLU 85 Ca -0.02 -0.01 -0.65 0.00 0.07 0.00 0.00 59.36 58.76 2rpr h GLU 85 Cb 0.39 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2rpr h GLU 85 CO -0.01 0.06 -0.50 -0.98 0.07 0.00 0.00 179.01 177.65 2rpr s ARG 86 N -5.20 3.40 0.00 1.06 1.70 -1.24 -5.06 118.95 113.61 2rpr s ARG 86 Ca -0.07 -0.31 0.01 0.00 -0.47 0.00 0.00 55.73 54.89 2rpr s ARG 86 Cb 0.28 -3.09 0.04 0.00 -0.57 0.00 0.00 34.95 31.61 2rpr s ARG 86 CO 0.83 0.69 0.54 1.28 -1.08 0.00 0.00 175.30 177.56