#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 2.35 0.36 1.61 1.04 -1.26 -5.13 113.70 112.67 2rpr s SER 2 Ca 0.00 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2rpr s SER 2 Cb 0.00 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.02 2rpr s SER 2 CO 0.00 0.09 0.18 -0.44 0.98 0.00 0.00 173.24 174.05 2rpr s SER 3 N 0.50 2.10 0.00 7.02 0.01 -1.26 -5.18 113.70 116.90 2rpr s SER 3 Ca -0.16 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.43 2rpr s SER 3 Cb -0.17 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2rpr s SER 3 CO 0.06 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2rpr n GLY 4 N -0.73 2.06 3.94 3.44 0.00 -1.26 -5.17 105.19 107.47 2rpr n GLY 4 Ca -0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 2rpr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpr s SER 5 N -0.16 6.09 -0.15 1.61 0.01 -1.26 -5.01 113.70 114.84 2rpr s SER 5 Ca 0.00 0.49 0.16 0.00 1.31 0.00 0.00 55.95 57.90 2rpr s SER 5 Cb 0.00 -1.88 0.62 0.00 0.21 0.00 0.00 66.02 64.97 2rpr s SER 5 CO 0.00 -0.52 1.53 -1.20 0.41 0.00 0.00 173.24 173.46 2rpr n SER 6 N -2.01 4.40 -0.10 2.44 7.64 -1.26 -4.54 113.62 120.19 2rpr n SER 6 Ca -0.01 -2.70 -0.20 0.00 1.01 0.00 0.00 58.87 56.97 2rpr n SER 6 Cb 0.57 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 2rpr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rpr n GLY 7 N 0.34 -0.82 3.56 0.23 0.00 -1.26 -4.72 105.19 102.51 2rpr n GLY 7 Ca 0.23 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 2rpr n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rpr s LEU 8 N -7.88 3.34 0.28 0.99 2.96 -1.26 -4.98 118.68 112.13 2rpr s LEU 8 Ca -0.28 -0.95 -0.24 0.00 -0.22 0.00 0.00 54.13 52.44 2rpr s LEU 8 Cb 0.06 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 2rpr s LEU 8 CO 0.54 -1.93 0.86 -0.13 -1.32 0.00 0.00 176.35 174.37 2rpr s ARG 9 N 5.77 4.49 0.13 1.98 0.52 -1.26 -4.99 118.95 125.59 2rpr s ARG 9 Ca 0.52 1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 56.88 2rpr s ARG 9 Cb -0.04 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.59 2rpr s ARG 9 CO -0.01 0.34 0.12 -0.35 0.02 0.00 0.00 175.30 175.42 2rpr n PRO 10 N 0.71 -1.25 -3.78 3.54 -0.04 -1.26 -3.38 135.00 129.54 2rpr n PRO 10 Ca -0.00 -0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2rpr n PRO 10 Cb 0.50 -0.18 -0.08 0.00 -0.04 0.00 0.00 33.50 33.70 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 0.98 -0.07 1.53 2.96 -1.10 -4.64 118.68 118.34 2rpr s LEU 11 Ca 0.08 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2rpr s LEU 11 Cb -0.01 1.20 -0.04 0.00 0.50 0.00 0.00 46.19 47.85 2rpr s LEU 11 CO 0.06 -0.50 0.04 -0.70 -1.32 0.00 0.00 176.35 173.92 2rpr s GLU 12 N -1.84 3.05 0.21 1.98 2.12 -1.25 -5.07 118.70 117.91 2rpr s GLU 12 Ca -0.10 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2rpr s GLU 12 Cb -0.04 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2rpr s GLU 12 CO 0.01 0.70 0.13 -0.06 -0.54 0.00 0.00 175.26 175.49 2rpr s PHE 13 N -0.99 1.21 -0.01 5.30 0.40 -1.26 -1.26 117.98 121.38 2rpr s PHE 13 Ca 0.16 -1.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.07 2rpr s PHE 13 Cb -0.12 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.81 2rpr s PHE 13 CO 0.06 -0.61 0.11 -0.51 0.70 0.00 0.00 175.22 174.97 2rpr s LEU 14 N -3.18 1.63 -0.22 -0.37 1.43 -0.55 -4.81 118.68 112.62 2rpr s LEU 14 Ca 0.39 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2rpr s LEU 14 Cb 0.07 0.52 0.04 0.00 0.03 0.00 0.00 46.19 46.86 2rpr s LEU 14 CO 0.12 -0.25 -0.13 -0.13 0.23 0.00 0.00 176.35 176.20 2rpr s ARG 15 N -0.90 2.33 -0.03 1.70 0.52 -1.26 -0.23 118.95 121.07 2rpr s ARG 15 Ca -0.10 -1.03 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 2rpr s ARG 15 Cb -0.06 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 2rpr s ARG 15 CO 0.01 -0.43 -0.23 -0.08 0.02 0.00 0.00 175.30 174.59 2rpr s THR 16 N 1.26 1.82 0.14 0.02 -1.32 -0.80 -4.92 115.64 111.85 2rpr s THR 16 Ca -0.03 -0.97 -0.29 0.00 -1.21 0.00 0.00 61.69 59.19 2rpr s THR 16 Cb -0.17 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 2rpr s THR 16 CO -0.08 0.51 1.57 -1.28 -2.21 0.00 0.00 174.62 173.13 2rpr h SER 17 N 5.78 -1.57 -3.55 8.08 0.87 -1.99 -3.15 113.55 118.03 2rpr h SER 17 Ca -0.37 0.22 -0.52 0.00 -1.23 0.00 0.00 61.79 59.89 2rpr h SER 17 Cb 1.15 0.66 -0.03 0.00 -0.44 0.00 0.00 62.40 63.74 2rpr h SER 17 CO 0.47 -0.39 0.08 -0.76 -0.53 0.00 0.00 176.83 175.70 2rpr s LEU 18 N -10.44 4.32 0.00 2.23 2.01 -1.26 -3.93 118.68 111.61 2rpr s LEU 18 Ca -0.15 1.36 0.00 0.00 0.01 0.00 0.00 54.13 55.35 2rpr s LEU 18 Cb 0.10 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.72 2rpr s LEU 18 CO 0.64 0.02 0.00 0.61 1.01 0.00 0.00 176.35 178.63 2rpr n GLY 19 N 0.64 2.55 0.00 -3.19 0.00 -1.26 -4.86 105.19 99.08 2rpr n GLY 19 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.84 3.86 -0.02 0.00 -1.19 -4.97 105.19 103.71 2rpr n GLY 20 Ca 0.00 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 3.12 0.16 1.61 3.52 -1.26 -1.91 118.95 124.19 2rpr s ARG 21 Ca 0.00 -0.81 0.06 0.00 -0.13 0.00 0.00 55.73 54.85 2rpr s ARG 21 Cb 0.00 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 2rpr s ARG 21 CO 0.00 0.47 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.78 2rpr s PHE 22 N -1.84 1.42 -0.20 5.12 0.08 0.68 -4.69 117.98 118.55 2rpr s PHE 22 Ca 0.33 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2rpr s PHE 22 Cb -0.10 -0.70 0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2rpr s PHE 22 CO 0.26 0.17 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.25 2rpr s LEU 23 N -3.05 2.47 -0.32 -0.37 2.96 -0.73 -1.48 118.68 118.16 2rpr s LEU 23 Ca 0.17 -0.92 -0.21 0.00 -0.22 0.00 0.00 54.13 52.95 2rpr s LEU 23 Cb -0.00 -1.37 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 2rpr s LEU 23 CO 0.03 -0.11 0.66 -0.69 -1.32 0.00 0.00 176.35 174.91 2rpr s VAL 24 N 1.31 4.90 -0.20 1.68 1.01 -0.39 -1.43 120.40 127.28 2rpr s VAL 24 Ca -0.01 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 2rpr s VAL 24 Cb -0.16 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.24 2rpr s VAL 24 CO -0.09 -0.22 0.49 -2.28 0.00 0.00 0.00 175.10 173.00 2rpr s HIS 25 N 2.70 -0.75 -1.26 5.22 5.04 -1.04 -3.77 115.29 121.42 2rpr s HIS 25 Ca 0.26 1.55 -0.06 0.00 -1.54 0.00 0.00 55.06 55.27 2rpr s HIS 25 Cb -0.15 0.38 0.01 0.00 0.04 0.00 0.00 32.58 32.86 2rpr s HIS 25 CO 0.13 -0.41 0.80 0.39 -2.34 0.00 0.00 174.74 173.31 2rpr n GLU 26 N 4.37 -5.72 -2.09 2.88 -0.58 -1.26 -1.65 120.64 116.59 2rpr n GLU 26 Ca -0.21 0.76 -0.21 0.00 -0.42 0.00 0.00 57.16 57.07 2rpr n GLU 26 Cb 0.56 -5.43 -0.04 0.00 -0.57 0.00 0.00 31.44 25.96 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 -2.21 -5.75 -3.45 1.62 7.64 -1.26 -4.86 113.62 105.35 2rpr n SER 27 Ca -0.04 0.19 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 2rpr n SER 27 Cb 0.58 -4.89 -0.05 0.00 -1.01 0.00 0.00 64.21 58.84 2rpr n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rpr n PHE 28 N -3.39 0.36 -4.22 1.43 3.72 -0.66 -4.05 117.46 110.65 2rpr n PHE 28 Ca -0.23 -1.84 -0.19 0.00 -0.05 0.00 0.00 57.45 55.14 2rpr n PHE 28 Cb 0.69 -0.09 -0.16 0.00 -0.94 0.00 0.00 39.48 38.98 2rpr n PHE 28 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rpr s LEU 29 N 0.00 1.64 0.30 4.37 1.43 -1.26 -2.50 118.68 122.66 2rpr s LEU 29 Ca 0.10 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2rpr s LEU 29 Cb 0.00 -0.42 -0.06 0.00 0.03 0.00 0.00 46.19 45.74 2rpr s LEU 29 CO 0.07 0.01 0.05 -0.31 0.23 0.00 0.00 176.35 176.40 2rpr s TYR 30 N 0.43 1.86 -0.02 0.29 1.51 -0.51 -1.82 117.35 119.09 2rpr s TYR 30 Ca -0.06 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.07 2rpr s TYR 30 Cb -0.10 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2rpr s TYR 30 CO 0.00 -0.03 -0.13 1.03 -1.11 0.00 0.00 175.55 175.31 2rpr s ARG 31 N -3.90 1.22 -0.16 -0.62 0.52 0.11 -1.77 118.95 114.36 2rpr s ARG 31 Ca 0.35 -0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 54.80 2rpr s ARG 31 Cb 0.08 -1.14 -0.06 0.00 0.52 0.00 0.00 34.95 34.35 2rpr s ARG 31 CO 0.14 0.24 2.05 0.21 0.02 0.00 0.00 175.30 177.96 2rpr s LYS 32 N -0.12 3.50 -0.17 3.54 2.20 -1.26 -1.50 119.74 125.92 2rpr s LYS 32 Ca 0.01 2.10 -0.19 0.00 -0.36 0.00 0.00 55.97 57.53 2rpr s LYS 32 Cb -0.07 -4.26 -0.22 0.00 -1.51 0.00 0.00 37.83 31.76 2rpr s LYS 32 CO 0.00 -1.68 0.33 1.49 -0.36 0.00 0.00 175.35 175.13 2rpr h GLU 33 N 13.19 0.08 -3.21 4.03 4.57 -0.85 -3.49 114.58 128.90 2rpr h GLU 33 Ca -0.42 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 57.65 2rpr h GLU 33 Cb 1.22 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 2rpr h GLU 33 CO 0.97 1.06 0.11 -1.59 -1.18 0.00 0.00 179.01 178.38 2rpr s LYS 34 N -2.40 1.67 -0.07 1.92 -2.85 -1.22 -5.01 119.74 111.79 2rpr s LYS 34 Ca -0.26 -1.04 -0.00 0.00 -1.00 0.00 0.00 55.97 53.67 2rpr s LYS 34 Cb 0.05 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.41 2rpr s LYS 34 CO 0.65 -0.74 -0.02 0.00 0.10 0.00 0.00 175.35 175.34 2rpr s ALA 35 N -3.94 0.74 -0.42 0.59 0.00 -1.26 0.09 121.76 117.55 2rpr s ALA 35 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2rpr s ALA 35 Cb -0.04 -0.65 0.43 0.00 0.00 0.00 0.00 23.12 22.86 2rpr s ALA 35 CO 0.06 -0.31 1.86 0.00 0.00 0.00 0.00 175.76 177.37 2rpr n ALA 36 N 4.77 5.31 0.00 0.00 0.00 -0.70 -4.96 120.51 124.94 2rpr n ALA 36 Ca -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 50.88 2rpr n ALA 36 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.57 0.84 0.58 0.00 0.00 -1.26 -4.24 105.19 100.54 2rpr n GLY 37 Ca 0.47 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.78 -4.42 1.61 1.02 -1.26 -4.90 120.64 114.47 2rpr n GLU 38 Ca 0.00 -1.16 -0.24 0.00 -0.02 0.00 0.00 57.16 55.74 2rpr n GLU 38 Cb 0.00 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 2rpr n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rpr s LYS 39 N -2.02 1.53 -0.14 3.49 1.02 -1.26 -3.94 119.74 118.42 2rpr s LYS 39 Ca 0.35 -1.63 -0.04 0.00 0.02 0.00 0.00 55.97 54.68 2rpr s LYS 39 Cb 0.21 -1.64 0.05 0.00 -0.52 0.00 0.00 37.83 35.93 2rpr s LYS 39 CO 0.34 0.32 0.06 0.08 -0.92 0.00 0.00 175.35 175.23 2rpr s VAL 40 N -2.28 0.08 0.24 3.17 1.01 -0.47 -1.72 120.40 120.42 2rpr s VAL 40 Ca 0.24 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2rpr s VAL 40 Cb -0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 2rpr s VAL 40 CO 0.11 -0.13 1.03 -0.31 0.00 0.00 0.00 175.10 175.80 2rpr s TYR 41 N 2.07 3.77 0.27 5.22 1.51 0.11 -1.66 117.35 128.64 2rpr s TYR 41 Ca 0.02 1.79 0.05 0.00 -1.01 0.00 0.00 57.07 57.92 2rpr s TYR 41 Cb -0.15 -3.14 -0.06 0.00 -0.11 0.00 0.00 41.96 38.50 2rpr s TYR 41 CO -0.07 -0.09 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.68 2rpr s TRP 42 N -1.02 1.78 -0.15 2.71 0.52 0.17 -0.13 118.94 122.83 2rpr s TRP 42 Ca 0.44 -0.84 -0.15 0.00 0.02 0.00 0.00 56.10 55.57 2rpr s TRP 42 Cb -0.29 -1.05 0.04 0.00 -1.15 0.00 0.00 33.47 31.02 2rpr s TRP 42 CO 0.36 0.09 0.42 0.00 0.02 0.00 0.00 176.95 177.85 2rpr s MET 43 N -3.81 0.51 -0.47 4.98 0.23 -0.56 -2.16 119.30 118.02 2rpr s MET 43 Ca 0.30 0.55 -0.33 0.00 -1.03 0.00 0.00 55.69 55.18 2rpr s MET 43 Cb 0.05 0.25 -0.12 0.00 -1.53 0.00 0.00 34.83 33.48 2rpr s MET 43 CO 0.11 -0.07 2.31 0.00 -2.03 0.00 0.00 175.02 175.34 2rpr h ARG 45 N 13.74 0.00 -2.39 0.00 0.11 -1.63 -1.19 114.38 123.02 2rpr h ARG 45 Ca -0.23 -0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.59 2rpr h ARG 45 Cb 1.31 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.35 2rpr h ARG 45 CO 1.10 0.00 0.61 -0.25 0.10 0.00 0.00 179.97 181.54 2rpr n ASP 46 N -4.41 5.15 -0.02 0.08 8.00 -1.26 -4.43 116.55 119.66 2rpr n ASP 46 Ca 0.42 -2.37 -0.13 0.00 0.71 0.00 0.00 54.79 53.43 2rpr n ASP 46 Cb 1.75 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 2rpr n ASP 46 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2rpr h GLN 47 N 3.92 -0.04 0.00 -1.24 3.07 -1.36 -2.11 115.11 117.36 2rpr h GLN 47 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.04 2rpr h GLN 47 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.61 2rpr h GLN 47 CO 0.60 0.58 -0.86 0.00 0.09 0.00 0.00 178.83 179.23 2rpr n ALA 48 N -2.46 4.42 -0.06 0.06 0.00 -1.26 -2.89 120.51 118.33 2rpr n ALA 48 Ca -0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 2rpr n ALA 48 Cb 0.31 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 2rpr n ALA 48 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2rpr h ARG 49 N 0.00 0.00 -0.54 0.00 2.43 -1.85 -3.39 114.38 111.04 2rpr h ARG 49 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 2rpr h ARG 49 Cb 0.50 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.94 2rpr h ARG 49 CO 0.00 0.00 0.15 1.28 -1.51 0.00 0.00 179.97 179.89 2rpr n LEU 50 N -4.63 5.05 -1.54 3.80 4.77 -1.03 -4.92 117.00 118.51 2rpr n LEU 50 Ca -0.03 -3.40 -0.03 0.00 -0.03 0.00 0.00 56.01 52.53 2rpr n LEU 50 Cb 0.10 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 2rpr n LEU 50 CO 0.04 0.95 -0.03 0.61 -1.33 0.00 0.00 177.39 177.63 2rpr n GLY 51 N -0.67 0.02 3.76 -0.72 0.00 -1.14 -4.85 105.19 101.59 2rpr n GLY 51 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 1.04 1.14 -2.07 0.00 0.00 -1.26 -4.11 116.66 111.41 2rpr n ARG 53 Ca -0.00 -2.51 -0.41 0.00 -0.00 0.00 0.00 57.85 54.92 2rpr n ARG 53 Cb 0.47 -1.35 -0.02 0.00 -0.00 0.00 0.00 32.46 31.56 2rpr n ARG 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rpr s SER 54 N -2.69 6.72 0.19 2.89 0.15 -1.23 -4.72 113.70 115.01 2rpr s SER 54 Ca 0.29 2.61 0.06 0.00 0.70 0.00 0.00 55.95 59.62 2rpr s SER 54 Cb 0.27 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2rpr s SER 54 CO -0.00 -0.65 -0.12 -0.13 1.20 0.00 0.00 173.24 173.55 2rpr s ARG 55 N -0.48 1.23 -0.03 5.44 0.52 -1.18 -0.87 118.95 123.59 2rpr s ARG 55 Ca 0.58 -1.55 -0.23 0.00 -0.52 0.00 0.00 55.73 54.01 2rpr s ARG 55 Cb -0.40 -0.90 0.05 0.00 0.52 0.00 0.00 34.95 34.21 2rpr s ARG 55 CO 0.43 0.12 0.50 0.00 0.02 0.00 0.00 175.30 176.37 2rpr s ALA 56 N -3.14 -1.28 -0.09 2.13 0.00 -0.92 -0.21 121.76 118.26 2rpr s ALA 56 Ca 0.21 0.81 0.05 0.00 0.00 0.00 0.00 51.96 53.02 2rpr s ALA 56 Cb 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2rpr s ALA 56 CO 0.05 -0.33 -0.24 0.42 0.00 0.00 0.00 175.76 175.66 2rpr s ILE 57 N -1.34 2.02 -0.00 0.00 1.01 0.20 0.42 121.20 123.52 2rpr s ILE 57 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.54 2rpr s ILE 57 Cb -0.02 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2rpr s ILE 57 CO 0.07 0.55 -0.02 0.42 0.00 0.00 0.00 174.94 175.96 2rpr s THR 58 N 0.20 3.99 -0.43 2.92 -4.23 -0.66 0.68 115.64 118.11 2rpr s THR 58 Ca -0.14 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2rpr s THR 58 Cb -0.17 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 71.06 2rpr s THR 58 CO 0.07 0.38 0.27 -1.58 -0.54 0.00 0.00 174.62 173.23 2rpr s GLN 59 N -1.50 1.08 1.03 3.99 -0.44 -1.12 -1.37 119.66 121.33 2rpr s GLN 59 Ca 0.19 -1.93 0.00 0.00 -2.50 0.00 0.00 55.36 51.11 2rpr s GLN 59 Cb -0.11 -1.93 0.00 0.00 -1.64 0.00 0.00 33.01 29.33 2rpr s GLN 59 CO 0.09 -1.23 0.00 0.41 0.50 0.00 0.00 175.29 175.06 2rpr n GLY 60 N 3.42 1.93 0.00 2.59 0.00 -1.25 -3.27 105.19 108.60 2rpr n GLY 60 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.62 1.61 -0.00 -1.26 -5.02 115.22 107.93 2rpr n HIS 61 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2rpr n HIS 61 Cb 0.00 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 29.99 2rpr n HIS 61 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2rpr n ARG 62 N -0.71 -0.14 -3.72 1.57 1.74 -1.20 -2.73 116.66 111.46 2rpr n ARG 62 Ca 0.00 -2.79 -0.10 0.00 -0.77 0.00 0.00 57.85 54.19 2rpr n ARG 62 Cb 0.00 -0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 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 -3.18 0.09 -0.04 0.55 2.07 -1.26 -2.77 121.20 116.66 2rpr s ILE 63 Ca 0.68 -0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 59.09 2rpr s ILE 63 Cb -0.04 -1.17 0.01 0.00 0.13 0.00 0.00 42.46 41.39 2rpr s ILE 63 CO 0.45 -0.43 0.14 -0.32 -1.91 0.00 0.00 174.94 172.87 2rpr s MET 64 N -3.55 0.23 -0.09 3.50 -2.45 0.22 -4.95 119.30 112.20 2rpr s MET 64 Ca 0.02 0.08 -0.05 0.00 -1.25 0.00 0.00 55.69 54.49 2rpr s MET 64 Cb 0.02 0.11 -0.04 0.00 1.25 0.00 0.00 34.83 36.17 2rpr s MET 64 CO -0.10 -0.04 0.09 0.08 1.05 0.00 0.00 175.02 176.11 2rpr s VAL 65 N -0.22 5.07 0.00 10.11 1.01 -1.26 0.62 120.40 135.73 2rpr s VAL 65 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 2rpr s VAL 65 Cb -0.02 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2rpr s VAL 65 CO 0.00 0.58 -0.07 0.23 0.00 0.00 0.00 175.10 175.84 2rpr n MET 66 N 1.91 0.10 -3.95 2.72 2.81 0.70 -4.93 117.12 116.49 2rpr n MET 66 Ca -0.19 0.04 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 2rpr n MET 66 Cb 0.54 -0.54 -0.07 0.00 -0.71 0.00 0.00 33.22 32.43 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 -1.77 3.54 1.22 0.03 6.06 -1.17 -4.89 118.95 121.97 2rpr s ARG 67 Ca -0.06 -0.21 -0.19 0.00 -2.50 0.00 0.00 55.73 52.76 2rpr s ARG 67 Cb 0.01 -3.16 0.29 0.00 0.06 0.00 0.00 34.95 32.15 2rpr s ARG 67 CO 0.08 0.63 1.10 -1.54 -2.50 0.00 0.00 175.30 173.08 2rpr s SER 68 N -0.63 0.80 0.03 -2.12 1.04 -1.26 -3.12 113.70 108.44 2rpr s SER 68 Ca 0.12 0.64 0.04 0.00 0.48 0.00 0.00 55.95 57.24 2rpr s SER 68 Cb -0.12 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 2rpr s SER 68 CO 0.02 -4.20 -0.08 -1.00 0.98 0.00 0.00 173.24 168.97 2rpr s HIS 69 N -2.97 2.84 -1.37 5.02 0.09 -1.26 -3.50 115.29 114.15 2rpr s HIS 69 Ca 0.71 -0.08 0.17 0.00 -0.00 0.00 0.00 55.06 55.86 2rpr s HIS 69 Cb -0.10 -1.56 0.63 0.00 -0.00 0.00 0.00 32.58 31.55 2rpr s HIS 69 CO 0.56 0.38 1.52 0.00 -0.00 0.00 0.00 174.74 177.21 2rpr s HIS 71 N -1.67 1.68 0.14 0.00 -3.43 -1.26 -5.06 115.29 105.69 2rpr s HIS 71 Ca 0.45 -1.63 0.07 0.00 -0.80 0.00 0.00 55.06 53.15 2rpr s HIS 71 Cb 0.28 -0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2rpr s HIS 71 CO 0.24 -0.89 -0.04 1.14 -2.00 0.00 0.00 174.74 173.19 2rpr s GLN 72 N -3.44 2.31 0.71 -0.38 -2.07 -1.26 -5.12 119.66 110.41 2rpr s GLN 72 Ca 0.40 -1.04 -0.13 0.00 -1.82 0.00 0.00 55.36 52.77 2rpr s GLN 72 Cb 0.02 -2.36 0.03 0.00 -1.09 0.00 0.00 33.01 29.61 2rpr s GLN 72 CO 0.27 0.49 1.10 -1.25 -1.32 0.00 0.00 175.29 174.57 2rpr s PRO 73 N -2.57 2.55 -0.44 9.60 0.04 -1.26 -5.04 135.00 137.88 2rpr s PRO 73 Ca 0.25 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2rpr s PRO 73 Cb -0.10 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.67 2rpr s PRO 73 CO 0.17 -1.43 0.32 -0.51 0.04 0.00 0.00 177.00 175.58 2rpr s ASP 74 N -2.96 2.51 0.55 6.66 1.01 -1.26 -4.97 116.67 118.22 2rpr s ASP 74 Ca 0.64 -2.91 0.37 0.00 0.71 0.00 0.00 52.55 51.36 2rpr s ASP 74 Cb -0.19 -0.66 1.54 0.00 1.01 0.00 0.00 42.92 44.62 2rpr s ASP 74 CO 0.48 -0.20 1.77 -0.07 0.21 0.00 0.00 175.17 177.36 2rpr h LEU 75 N 6.06 0.00 0.07 1.23 3.38 -1.96 0.15 115.31 124.24 2rpr h LEU 75 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2rpr h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2rpr h LEU 75 CO 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.90 2rpr h ALA 76 N 1.34 -0.10 -0.64 1.53 0.00 -1.98 0.61 119.26 120.02 2rpr h ALA 76 Ca 0.57 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2rpr h ALA 76 Cb 2.35 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 20.15 2rpr h ALA 76 CO -0.01 -0.35 0.23 0.78 0.00 0.00 0.00 179.25 179.90 2rpr h GLY 77 N -0.49 1.05 0.57 0.00 0.00 -1.18 -2.84 103.07 100.18 2rpr h GLY 77 Ca -0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2rpr h GLY 77 CO 0.02 0.56 -0.04 -2.00 0.00 0.00 0.00 176.54 175.08 2rpr h LEU 78 N 0.91 -0.10 -1.70 3.11 5.85 -1.28 -2.89 115.31 119.21 2rpr h LEU 78 Ca 0.21 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2rpr h LEU 78 Cb 0.25 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2rpr h LEU 78 CO -0.01 0.32 0.52 -0.33 -0.34 0.00 0.00 178.44 178.60 2rpr h GLU 79 N -0.55 0.00 0.12 1.25 4.39 -0.85 -2.35 114.58 116.59 2rpr h GLU 79 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2rpr h GLU 79 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2rpr h GLU 79 CO 0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.81 2rpr h ALA 80 N 1.18 -0.56 -0.87 3.43 0.00 -1.28 -2.82 119.26 118.33 2rpr h ALA 80 Ca 0.12 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2rpr h ALA 80 Cb 1.16 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2rpr h ALA 80 CO -0.00 -0.55 -0.29 1.28 0.00 0.00 0.00 179.25 179.69 2rpr n LEU 81 N -2.71 -0.45 0.08 0.00 4.77 -0.89 0.85 117.00 118.64 2rpr n LEU 81 Ca -0.02 1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 57.34 2rpr n LEU 81 Cb 0.06 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2rpr n LEU 81 CO 0.05 -1.40 0.61 0.03 -1.33 0.00 0.00 177.39 175.35 2rpr h ARG 82 N 0.00 -0.54 0.00 3.23 3.08 -1.63 0.85 114.38 119.36 2rpr h ARG 82 Ca 0.35 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2rpr h ARG 82 Cb 0.57 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2rpr h ARG 82 CO -0.88 -0.36 0.00 0.37 -1.07 0.00 0.00 179.97 178.03 2rpr h GLN 83 N -0.56 0.00 0.00 0.04 5.75 -0.14 -2.19 115.11 118.01 2rpr h GLN 83 Ca 0.04 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.34 2rpr h GLN 83 Cb 0.63 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2rpr h GLN 83 CO -0.27 0.00 -1.25 0.00 -2.65 0.00 0.00 178.83 174.66 2rpr h ARG 84 N 0.00 0.00 -0.37 1.69 3.08 0.25 -3.34 114.38 115.69 2rpr h ARG 84 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2rpr h ARG 84 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2rpr h ARG 84 CO 0.00 0.55 -0.36 0.93 -1.07 0.00 0.00 179.97 180.01 2rpr h GLU 85 N 0.00 0.90 -5.52 0.04 4.39 0.13 -3.46 114.58 111.05 2rpr h GLU 85 Ca -0.14 -0.47 -0.57 0.00 0.34 0.00 0.00 59.36 58.52 2rpr h GLU 85 Cb 1.72 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 30.26 2rpr h GLU 85 CO 0.08 1.12 -0.61 -0.98 -1.16 0.00 0.00 179.01 177.46 2rpr s ARG 86 N -4.40 1.84 0.00 2.33 1.70 -1.13 -5.10 118.95 114.19 2rpr s ARG 86 Ca -0.11 -2.03 0.00 0.00 -0.47 0.00 0.00 55.73 53.12 2rpr s ARG 86 Cb 0.11 -1.37 0.00 0.00 -0.57 0.00 0.00 34.95 33.12 2rpr s ARG 86 CO 0.87 -0.08 0.28 -0.11 -1.08 0.00 0.00 175.30 175.18