#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp n SER 2 N 0.00 -6.95 -0.49 0.00 2.88 -1.25 -4.77 113.62 103.05 1ulp n SER 2 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1ulp n SER 2 Cb 0.00 -3.06 0.01 0.00 -0.75 0.00 0.00 64.21 60.41 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ulp n PRO 3 N 1.16 1.08 0.00 -1.46 -0.04 -1.26 -3.88 135.00 130.60 1ulp n PRO 3 Ca -0.01 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ulp n PRO 3 Cb 0.30 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1ulp n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulp n ILE 4 N -0.03 0.00 -1.28 0.52 -5.35 -1.26 -4.92 119.36 107.05 1ulp n ILE 4 Ca 0.01 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.63 1ulp n ILE 4 Cb 0.25 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.08 1ulp n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ulp n GLY 5 N 0.48 -2.51 3.51 3.28 0.00 -1.25 -4.02 105.19 104.68 1ulp n GLY 5 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1ulp n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulp n GLU 6 N -4.03 0.29 0.08 1.61 1.02 -1.22 -4.51 120.64 113.88 1ulp n GLU 6 Ca -0.06 -0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 56.41 1ulp n GLU 6 Cb 0.59 -2.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.32 1ulp n GLU 6 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ulp h GLY 7 N 17.73 0.16 -1.31 0.62 0.00 -1.67 -3.47 103.07 115.14 1ulp h GLY 7 Ca 0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1ulp h GLY 7 CO 1.23 0.32 -0.18 -1.30 0.00 0.00 0.00 176.54 176.61 1ulp n THR 8 N -3.51 0.00 -4.05 4.70 -2.24 -1.26 -2.56 114.28 105.36 1ulp n THR 8 Ca -0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 1ulp n THR 8 Cb 0.92 -1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 1ulp n THR 8 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulp n PHE 9 N -1.66 -1.03 -1.54 4.78 3.72 -1.26 -4.03 117.46 116.43 1ulp n PHE 9 Ca -0.10 0.54 -0.37 0.00 -0.05 0.00 0.00 57.45 57.47 1ulp n PHE 9 Cb 0.35 -2.09 0.07 0.00 -0.94 0.00 0.00 39.48 36.87 1ulp n PHE 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ulp n ASP 10 N -2.24 7.62 0.00 4.37 5.75 -1.06 -2.63 116.55 128.36 1ulp n ASP 10 Ca -0.15 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 50.82 1ulp n ASP 10 Cb 0.52 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 11 N -0.79 0.00 -3.63 -1.12 -0.08 -1.26 -4.87 116.55 104.80 1ulp n ASP 11 Ca 0.60 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.85 1ulp n ASP 11 Cb 0.52 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.94 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ulp s GLY 12 N 0.00 0.01 0.00 0.27 0.00 -1.26 -4.85 107.32 101.49 1ulp s GLY 12 Ca 0.00 2.63 0.22 0.00 0.00 0.00 0.00 44.72 47.57 1ulp s GLY 12 CO 0.00 1.04 1.68 -1.55 0.00 0.00 0.00 173.10 174.27 1ulp n PRO 13 N 0.48 0.68 0.00 2.90 -0.04 -1.26 -4.41 135.00 133.35 1ulp n PRO 13 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ulp n PRO 13 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1ulp n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ulp n GLU 14 N -1.00 0.00 0.00 0.54 4.71 -1.26 -1.16 120.64 122.47 1ulp n GLU 14 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1ulp n GLU 14 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.50 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ulp n GLY 15 N 0.00 0.41 3.66 0.62 0.00 -1.26 -5.05 105.19 103.57 1ulp n GLY 15 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ulp n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ulp n TRP 16 N -1.12 1.89 -3.88 1.61 7.02 -0.31 -4.22 117.44 118.43 1ulp n TRP 16 Ca 0.00 0.59 -0.09 0.00 -1.02 0.00 0.00 57.50 56.97 1ulp n TRP 16 Cb 0.00 -2.35 -0.08 0.00 -2.42 0.00 0.00 31.31 26.46 1ulp n TRP 16 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1ulp s VAL 17 N -1.12 0.14 0.16 -0.99 -7.23 -0.50 -4.86 120.40 106.01 1ulp s VAL 17 Ca 0.58 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1ulp s VAL 17 Cb -0.59 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1ulp s VAL 17 CO 0.61 -0.62 -0.02 0.00 -0.31 0.00 0.00 175.10 174.75 1ulp s ALA 18 N -3.36 1.34 -0.04 1.32 0.00 -1.26 -0.20 121.76 119.57 1ulp s ALA 18 Ca 0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 1ulp s ALA 18 Cb 0.03 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1ulp s ALA 18 CO -0.08 -0.27 0.33 1.52 0.00 0.00 0.00 175.76 177.26 1ulp s TYR 19 N -3.59 -0.24 0.00 0.00 -0.85 -0.56 -4.94 117.35 107.17 1ulp s TYR 19 Ca 0.21 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 1ulp s TYR 19 Cb 0.05 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.51 1ulp s TYR 19 CO 0.02 -0.36 0.00 0.41 -1.52 0.00 0.00 175.55 174.11 1ulp n GLY 20 N 1.60 1.71 0.80 5.49 0.00 -1.26 -3.04 105.19 110.49 1ulp n GLY 20 Ca -0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 1ulp n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 21 N 0.00 0.00 -1.27 2.61 -2.24 -1.26 -4.89 114.28 107.23 1ulp n THR 21 Ca 0.00 -0.20 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1ulp n THR 21 Cb 0.00 0.46 0.22 0.00 -2.10 0.00 0.00 70.33 68.91 1ulp n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ulp n ASP 22 N 0.10 3.36 0.00 3.42 5.68 -1.21 -4.77 116.55 123.13 1ulp n ASP 22 Ca -0.04 -3.54 0.00 0.00 -0.50 0.00 0.00 54.79 50.71 1ulp n ASP 22 Cb 0.73 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ulp n GLY 23 N -0.89 1.31 0.00 6.12 0.00 -1.26 -4.40 105.19 106.07 1ulp n GLY 23 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ulp n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulp n PRO 24 N 11.81 1.19 -4.14 1.61 -0.04 -1.26 -4.80 135.00 139.37 1ulp n PRO 24 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1ulp n PRO 24 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 1ulp n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ulp s LEU 25 N 0.00 2.98 -0.59 1.53 1.43 -1.26 -4.86 118.68 117.91 1ulp s LEU 25 Ca 0.00 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 1ulp s LEU 25 Cb 0.00 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1ulp s LEU 25 CO 0.00 0.05 1.16 -0.62 0.23 0.00 0.00 176.35 177.17 1ulp s ASP 26 N 1.07 6.41 -0.00 2.29 2.15 -1.14 -4.76 116.67 122.69 1ulp s ASP 26 Ca 0.01 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1ulp s ASP 26 Cb -0.15 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1ulp s ASP 26 CO -0.00 -1.47 0.00 0.35 -0.17 0.00 0.00 175.17 173.89 1ulp n THR 27 N 6.58 0.02 -1.33 1.71 -2.24 -1.26 -0.69 114.28 117.07 1ulp n THR 27 Ca 0.07 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1ulp n THR 27 Cb 0.49 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1ulp n THR 27 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ulp n SER 28 N -1.89 -0.44 0.00 3.42 2.88 -1.26 -1.72 113.62 114.61 1ulp n SER 28 Ca -0.01 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1ulp n SER 28 Cb 0.38 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ulp n THR 29 N 6.60 0.00 0.00 2.46 5.66 -1.26 -4.95 114.28 122.79 1ulp n THR 29 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1ulp n THR 29 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ulp n GLY 30 N 0.00 0.29 3.26 1.09 0.00 -0.70 -5.02 105.19 104.11 1ulp n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N -1.28 -0.97 0.23 4.61 0.00 -1.08 -4.36 121.76 118.92 1ulp s ALA 31 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 1ulp s ALA 31 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 1ulp s ALA 31 CO 0.00 -0.22 1.06 -1.17 0.00 0.00 0.00 175.76 175.43 1ulp s LEU 32 N 0.80 4.56 -0.08 0.00 0.20 -0.57 -4.25 118.68 119.33 1ulp s LEU 32 Ca -0.05 2.12 -0.03 0.00 0.69 0.00 0.00 54.13 56.86 1ulp s LEU 32 Cb -0.06 -3.61 0.04 0.00 -0.43 0.00 0.00 46.19 42.13 1ulp s LEU 32 CO -0.06 -0.09 0.12 0.00 -0.29 0.00 0.00 176.35 176.03 1ulp s VAL 34 N 2.23 5.13 -0.60 0.00 -7.23 -0.84 -2.89 120.40 116.20 1ulp s VAL 34 Ca 0.04 -0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.93 1ulp s VAL 34 Cb -0.13 -3.27 0.06 0.00 0.56 0.00 0.00 36.38 33.60 1ulp s VAL 34 CO -0.05 0.52 0.90 0.00 -0.31 0.00 0.00 175.10 176.16 1ulp s ALA 35 N -1.08 3.17 -0.13 1.32 0.00 -1.26 -2.89 121.76 120.88 1ulp s ALA 35 Ca 0.18 -1.62 -0.26 0.00 0.00 0.00 0.00 51.96 50.26 1ulp s ALA 35 Cb -0.12 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1ulp s ALA 35 CO 0.08 -2.52 0.84 0.08 0.00 0.00 0.00 175.76 174.24 1ulp s VAL 36 N 3.80 4.89 1.15 0.00 1.01 -0.30 -3.29 120.40 127.66 1ulp s VAL 36 Ca 0.24 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 1ulp s VAL 36 Cb -0.16 -4.16 0.29 0.00 0.00 0.00 0.00 36.38 32.36 1ulp s VAL 36 CO 0.13 0.07 0.89 -0.81 0.00 0.00 0.00 175.10 175.38 1ulp n PRO 37 N 4.90 -3.46 -1.69 2.72 -0.04 -1.26 -1.82 135.00 134.34 1ulp n PRO 37 Ca 0.04 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 61.64 1ulp n PRO 37 Cb 0.49 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1ulp n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 38 N -2.70 3.61 0.00 0.55 0.00 -1.26 -2.56 121.76 119.41 1ulp s ALA 38 Ca 0.61 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1ulp s ALA 38 Cb -0.08 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1ulp s ALA 38 CO 0.48 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1ulp n GLY 39 N 4.48 -0.32 3.01 0.00 0.00 0.71 -2.08 105.19 110.98 1ulp n GLY 39 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1ulp n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ulp n SER 40 N -0.66 -0.22 -4.69 1.61 7.64 -1.06 -3.31 113.62 112.93 1ulp n SER 40 Ca 0.00 -0.53 -0.39 0.00 1.01 0.00 0.00 58.87 58.95 1ulp n SER 40 Cb 0.32 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp s ALA 41 N -2.71 3.47 0.00 -0.43 0.00 -0.88 -1.24 121.76 119.96 1ulp s ALA 41 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1ulp s ALA 41 Cb -0.11 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1ulp s ALA 41 CO 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 175.76 175.87 1ulp n GLN 42 N 4.42 0.00 0.00 0.00 10.64 -1.26 -4.86 117.38 126.32 1ulp n GLN 42 Ca -0.03 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1ulp n GLN 42 Cb 0.51 -3.01 0.00 0.00 -0.86 0.00 0.00 30.24 26.88 1ulp n GLN 42 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1ulp n TYR 43 N -3.43 0.00 -3.08 2.61 4.19 -1.25 -5.07 117.16 111.14 1ulp n TYR 43 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 1ulp n TYR 43 Cb 0.36 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.21 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ulp n GLY 44 N -0.38 -0.80 3.75 2.98 0.00 -1.18 -4.83 105.19 104.72 1ulp n GLY 44 Ca 0.00 1.24 -0.39 0.00 0.00 0.00 0.00 46.02 46.86 1ulp n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 45 N -2.21 4.87 0.19 1.61 1.01 -1.03 -4.70 120.40 120.14 1ulp s VAL 45 Ca 0.30 1.42 -0.19 0.00 0.00 0.00 0.00 61.98 63.51 1ulp s VAL 45 Cb -0.06 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ulp s VAL 45 CO 0.81 0.37 0.56 -0.83 0.00 0.00 0.00 175.10 176.00 1ulp s GLY 46 N 0.04 -0.24 -0.13 4.51 0.00 -1.17 0.15 107.32 110.47 1ulp s GLY 46 Ca 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1ulp s GLY 46 CO 0.19 -0.14 -0.16 0.14 0.00 0.00 0.00 173.10 173.13 1ulp s VAL 47 N -3.84 1.64 -0.01 1.40 1.01 -0.38 -1.49 120.40 118.73 1ulp s VAL 47 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1ulp s VAL 47 Cb -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1ulp s VAL 47 CO -0.05 0.47 -0.26 0.68 0.00 0.00 0.00 175.10 175.94 1ulp s VAL 48 N 1.14 2.10 -0.39 2.92 -7.23 0.72 -1.83 120.40 117.82 1ulp s VAL 48 Ca -0.02 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1ulp s VAL 48 Cb -0.14 -1.73 0.11 0.00 0.56 0.00 0.00 36.38 35.17 1ulp s VAL 48 CO -0.05 0.56 0.12 -0.22 -0.31 0.00 0.00 175.10 175.20 1ulp s LEU 49 N -0.68 4.75 -0.36 1.32 2.96 -1.15 -1.41 118.68 124.10 1ulp s LEU 49 Ca 0.10 -2.34 -0.29 0.00 -0.22 0.00 0.00 54.13 51.38 1ulp s LEU 49 Cb -0.10 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1ulp s LEU 49 CO -0.01 -0.37 1.20 0.21 -1.32 0.00 0.00 176.35 176.06 1ulp s ASN 50 N 0.76 6.71 0.00 3.68 3.04 -1.26 -2.78 114.94 125.09 1ulp s ASN 50 Ca 0.12 0.93 0.00 0.00 0.04 0.00 0.00 52.86 53.95 1ulp s ASN 50 Cb -0.21 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 36.96 1ulp s ASN 50 CO -0.06 -1.09 0.00 0.61 -3.04 0.00 0.00 177.10 173.52 1ulp n GLY 51 N 4.38 -0.53 3.15 1.21 0.00 -1.21 -4.92 105.19 107.27 1ulp n GLY 51 Ca 0.13 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 1ulp n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 52 N 0.00 0.84 -0.27 1.61 1.01 -0.62 -4.61 120.40 118.36 1ulp s VAL 52 Ca 0.00 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.44 1ulp s VAL 52 Cb 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 36.38 35.23 1ulp s VAL 52 CO 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 175.10 174.59 1ulp s ALA 53 N -2.29 1.76 0.24 5.51 0.00 -1.25 -3.12 121.76 122.60 1ulp s ALA 53 Ca 0.03 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1ulp s ALA 53 Cb -0.04 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1ulp s ALA 53 CO -0.00 -1.42 0.02 0.42 0.00 0.00 0.00 175.76 174.77 1ulp s ILE 54 N 1.49 0.94 -0.20 0.00 -1.09 -0.69 -4.69 121.20 116.95 1ulp s ILE 54 Ca 0.03 -2.02 -0.11 0.00 -2.23 0.00 0.00 60.65 56.31 1ulp s ILE 54 Cb -0.18 -2.40 0.07 0.00 -1.58 0.00 0.00 42.46 38.37 1ulp s ILE 54 CO -0.13 -0.27 0.50 -1.83 -1.23 0.00 0.00 174.94 171.98 1ulp s GLU 55 N -3.90 0.49 0.00 2.79 -1.05 -1.23 -0.80 118.70 115.00 1ulp s GLU 55 Ca 0.30 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 1ulp s GLU 55 Cb 0.06 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1ulp s GLU 55 CO 0.09 -0.16 0.00 -0.85 0.95 0.00 0.00 175.26 175.30 1ulp n GLU 56 N 4.28 0.00 -2.39 -4.83 0.28 0.41 -2.72 120.64 115.67 1ulp n GLU 56 Ca -0.22 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.35 1ulp n GLU 56 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ulp n GLY 57 N 0.00 4.12 4.00 -1.84 0.00 -1.22 -2.26 105.19 107.99 1ulp n GLY 57 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1ulp n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulp s THR 58 N 1.63 2.50 0.36 2.61 2.01 -0.84 -4.81 115.64 119.10 1ulp s THR 58 Ca 0.43 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.59 1ulp s THR 58 Cb 0.07 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1ulp s THR 58 CO -0.01 0.00 0.66 -0.89 -0.69 0.00 0.00 174.62 173.70 1ulp s THR 59 N -2.75 4.93 0.20 -0.82 2.01 -1.26 -0.43 115.64 117.52 1ulp s THR 59 Ca 0.60 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.75 1ulp s THR 59 Cb -0.08 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1ulp s THR 59 CO 0.39 -0.49 0.42 -1.22 -0.69 0.00 0.00 174.62 173.04 1ulp n TYR 60 N -1.32 -1.69 -3.50 4.92 4.01 -0.63 -3.91 117.16 115.04 1ulp n TYR 60 Ca -0.00 -0.97 -0.11 0.00 -0.16 0.00 0.00 57.90 56.67 1ulp n TYR 60 Cb 0.54 0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 39.96 1ulp n TYR 60 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ulp s THR 61 N -2.51 -0.56 -0.26 -0.72 2.01 -1.20 -2.81 115.64 109.59 1ulp s THR 61 Ca 0.09 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1ulp s THR 61 Cb -0.03 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1ulp s THR 61 CO 0.06 -0.04 0.64 -0.22 -0.69 0.00 0.00 174.62 174.37 1ulp s LEU 62 N 2.52 4.07 -0.07 4.42 2.96 -0.66 -4.04 118.68 127.88 1ulp s LEU 62 Ca 0.06 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1ulp s LEU 62 Cb -0.14 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1ulp s LEU 62 CO -0.13 -0.39 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.78 1ulp s ARG 63 N 2.53 1.77 -0.25 1.98 3.52 -1.11 -2.73 118.95 124.66 1ulp s ARG 63 Ca 0.26 -0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 55.17 1ulp s ARG 63 Cb -0.15 -1.48 0.15 0.00 -1.56 0.00 0.00 34.95 31.90 1ulp s ARG 63 CO 0.09 0.00 1.18 1.52 -0.81 0.00 0.00 175.30 177.28 1ulp s TYR 64 N 0.75 -0.27 -0.48 5.12 -0.85 -0.94 -2.13 117.35 118.55 1ulp s TYR 64 Ca -0.13 0.58 0.03 0.00 -0.52 0.00 0.00 57.07 57.04 1ulp s TYR 64 Cb -0.16 0.44 0.12 0.00 0.38 0.00 0.00 41.96 42.75 1ulp s TYR 64 CO 0.03 -0.18 0.22 0.99 -1.52 0.00 0.00 175.55 175.09 1ulp s THR 65 N -0.39 2.62 0.22 -3.49 2.01 -1.26 0.67 115.64 116.01 1ulp s THR 65 Ca 0.04 -3.01 -0.10 0.00 0.31 0.00 0.00 61.69 58.93 1ulp s THR 65 Cb -0.03 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1ulp s THR 65 CO -0.07 -0.75 0.55 0.00 -0.69 0.00 0.00 174.62 173.66 1ulp s ALA 66 N 0.07 3.57 -0.25 7.40 0.00 -0.75 -3.44 121.76 128.36 1ulp s ALA 66 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 1ulp s ALA 66 Cb -0.24 -2.44 0.13 0.00 0.00 0.00 0.00 23.12 20.57 1ulp s ALA 66 CO -0.02 0.50 0.36 0.99 0.00 0.00 0.00 175.76 177.58 1ulp s THR 67 N -1.77 -0.55 -0.14 0.00 2.01 -0.74 -2.41 115.64 112.05 1ulp s THR 67 Ca 0.46 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 1ulp s THR 67 Cb -0.12 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1ulp s THR 67 CO 0.21 -0.20 0.25 0.00 -0.69 0.00 0.00 174.62 174.19 1ulp s ALA 68 N 2.50 3.68 0.59 7.40 0.00 -1.02 -1.91 121.76 133.00 1ulp s ALA 68 Ca 0.11 -0.49 0.30 0.00 0.00 0.00 0.00 51.96 51.88 1ulp s ALA 68 Cb -0.15 -2.27 1.25 0.00 0.00 0.00 0.00 23.12 21.95 1ulp s ALA 68 CO -0.20 0.26 1.59 1.03 0.00 0.00 0.00 175.76 178.44 1ulp h SER 69 N 6.07 0.00 -1.43 0.00 0.87 -1.74 -3.03 113.55 114.29 1ulp h SER 69 Ca -0.45 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.55 1ulp h SER 69 Cb 1.18 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.07 1ulp h SER 69 CO 0.70 0.00 -0.46 0.28 -0.53 0.00 0.00 176.83 176.83 1ulp s THR 70 N -4.58 2.26 -1.42 2.23 -1.32 -1.26 -4.11 115.64 107.44 1ulp s THR 70 Ca -0.04 -1.62 -0.07 0.00 -1.21 0.00 0.00 61.69 58.75 1ulp s THR 70 Cb 0.16 -2.88 0.05 0.00 -1.51 0.00 0.00 72.50 68.32 1ulp s THR 70 CO 0.56 0.00 2.53 -0.67 -2.21 0.00 0.00 174.62 174.83 1ulp n ASP 71 N -1.35 7.92 -4.76 8.08 -0.08 -1.26 -3.19 116.55 121.91 1ulp n ASP 71 Ca -0.01 -2.95 -0.40 0.00 -1.51 0.00 0.00 54.79 49.93 1ulp n ASP 71 Cb 0.64 -1.44 -0.05 0.00 2.34 0.00 0.00 41.12 42.60 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ulp s VAL 72 N 0.16 4.60 -0.52 5.18 0.11 -1.22 -4.77 120.40 123.95 1ulp s VAL 72 Ca 0.58 1.63 0.03 0.00 -2.93 0.00 0.00 61.98 61.29 1ulp s VAL 72 Cb 0.18 -4.11 0.14 0.00 -1.53 0.00 0.00 36.38 31.06 1ulp s VAL 72 CO -0.08 0.43 0.31 -0.89 -3.33 0.00 0.00 175.10 171.54 1ulp s THR 73 N -0.50 1.97 0.00 5.04 2.01 -1.26 -1.06 115.64 121.84 1ulp s THR 73 Ca 0.37 -3.16 0.00 0.00 0.31 0.00 0.00 61.69 59.21 1ulp s THR 73 Cb -0.21 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1ulp s THR 73 CO 0.24 -0.92 0.00 1.33 -0.69 0.00 0.00 174.62 174.58 1ulp n VAL 74 N 3.01 0.00 -4.69 3.82 0.24 -1.26 -4.87 118.33 114.57 1ulp n VAL 74 Ca 0.12 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.15 1ulp n VAL 74 Cb 0.35 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.58 1ulp n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulp s ARG 75 N 2.59 1.48 -0.03 7.34 0.52 -1.17 -3.73 118.95 125.95 1ulp s ARG 75 Ca 0.00 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 1ulp s ARG 75 Cb 0.00 -1.62 0.03 0.00 0.52 0.00 0.00 34.95 33.88 1ulp s ARG 75 CO 0.00 0.41 0.34 0.00 0.02 0.00 0.00 175.30 176.08 1ulp s ALA 76 N -0.81 -0.87 0.00 2.13 0.00 -0.70 -0.90 121.76 120.61 1ulp s ALA 76 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1ulp s ALA 76 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ulp s ALA 76 CO 0.02 -0.25 0.00 1.47 0.00 0.00 0.00 175.76 177.00 1ulp n LEU 77 N 1.49 0.00 -4.14 0.00 -0.00 -0.96 -3.07 117.00 110.32 1ulp n LEU 77 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.69 1ulp n LEU 77 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 1ulp n LEU 77 CO 0.21 0.00 -0.10 -0.69 -0.00 0.00 0.00 177.39 176.81 1ulp s VAL 78 N -3.06 0.00 -0.99 1.47 1.01 -1.25 -1.97 120.40 115.60 1ulp s VAL 78 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1ulp s VAL 78 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1ulp s VAL 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 79 N -0.32 -1.33 3.83 4.51 0.00 -1.13 -3.10 105.19 107.65 1ulp n GLY 79 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1ulp n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulp s GLN 80 N -0.95 2.96 -0.55 1.61 0.74 -0.66 -2.08 119.66 120.73 1ulp s GLN 80 Ca 0.00 -1.01 -0.03 0.00 0.05 0.00 0.00 55.36 54.37 1ulp s GLN 80 Cb 0.00 -2.60 0.14 0.00 1.10 0.00 0.00 33.01 31.66 1ulp s GLN 80 CO 0.00 0.41 0.36 -0.80 -0.55 0.00 0.00 175.29 174.72 1ulp s ASN 81 N -3.76 5.29 0.00 6.67 -0.87 -0.44 -4.53 114.94 117.29 1ulp s ASN 81 Ca 0.33 -2.53 0.00 0.00 -1.57 0.00 0.00 52.86 49.09 1ulp s ASN 81 Cb -0.08 -1.86 0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1ulp s ASN 81 CO 0.25 -0.45 0.00 0.61 -2.57 0.00 0.00 177.10 174.94 1ulp n GLY 82 N 3.93 3.90 3.24 0.66 0.00 -1.26 -2.62 105.19 113.04 1ulp n GLY 82 Ca 0.04 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 83 N -0.01 -3.27 1.68 4.61 0.00 -1.26 -1.27 120.51 120.99 1ulp n ALA 83 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ulp n ALA 83 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1ulp n ALA 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ulp n PRO 84 N 1.32 0.95 -1.42 0.00 -0.04 -1.26 -4.63 135.00 129.93 1ulp n PRO 84 Ca 0.06 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 1ulp n PRO 84 Cb 0.49 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 1ulp n PRO 84 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ulp n TYR 85 N -0.37 -3.68 0.00 0.54 4.01 -0.40 -5.01 117.16 112.25 1ulp n TYR 85 Ca 0.00 1.92 0.00 0.00 -0.16 0.00 0.00 57.90 59.66 1ulp n TYR 85 Cb 0.06 -3.34 0.00 0.00 -0.31 0.00 0.00 39.34 35.74 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -4.27 -0.23 3.90 2.72 0.00 -1.26 -4.85 105.19 101.19 1ulp n GLY 86 Ca -0.04 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.44 1ulp n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 87 N 0.00 5.32 0.00 2.61 -4.23 -1.26 -1.65 115.64 116.42 1ulp s THR 87 Ca 0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1ulp s THR 87 Cb 0.00 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ulp s THR 87 CO 0.00 0.21 0.00 1.33 -0.54 0.00 0.00 174.62 175.62 1ulp n VAL 88 N 0.58 0.00 -4.73 2.29 0.24 -1.18 -4.53 118.33 111.00 1ulp n VAL 88 Ca -0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.92 1ulp n VAL 88 Cb 0.52 0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.83 1ulp n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulp s LEU 89 N -2.89 2.65 -0.47 1.34 1.02 -1.25 -4.73 118.68 114.35 1ulp s LEU 89 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.85 1ulp s LEU 89 Cb 0.00 -1.54 0.19 0.00 0.02 0.00 0.00 46.19 44.85 1ulp s LEU 89 CO 0.00 0.28 0.57 0.47 0.02 0.00 0.00 176.35 177.69 1ulp n ASP 90 N 1.75 -2.10 -1.71 2.29 8.00 -1.26 -3.97 116.55 119.55 1ulp n ASP 90 Ca -0.16 -2.70 -0.05 0.00 0.71 0.00 0.00 54.79 52.59 1ulp n ASP 90 Cb 0.52 0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 42.35 1ulp n ASP 90 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ulp n THR 91 N 2.79 0.00 -5.26 -3.53 -2.24 -1.17 -5.07 114.28 99.80 1ulp n THR 91 Ca 0.23 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 1ulp n THR 91 Cb 0.53 0.39 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1ulp n THR 91 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ulp s SER 92 N -1.79 3.08 -1.19 3.42 1.04 -1.26 -1.73 113.70 115.27 1ulp s SER 92 Ca 0.09 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 55.81 1ulp s SER 92 Cb -0.01 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.12 1ulp s SER 92 CO 0.07 0.23 1.93 -0.81 0.98 0.00 0.00 173.24 175.64 1ulp n PRO 93 N 3.07 2.32 -1.59 4.02 -0.04 -1.24 -4.88 135.00 136.66 1ulp n PRO 93 Ca -0.18 -2.61 -0.48 0.00 -0.04 0.00 0.00 63.50 60.19 1ulp n PRO 93 Cb 0.52 -3.40 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 1ulp n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 94 N 9.40 -0.44 -2.30 0.55 0.00 -1.26 -4.31 120.51 122.15 1ulp n ALA 94 Ca 0.49 0.45 -0.16 0.00 0.00 0.00 0.00 53.44 54.22 1ulp n ALA 94 Cb 0.44 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 1ulp n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s LEU 95 N 0.56 2.21 0.00 0.00 1.43 -0.23 -4.91 118.68 117.75 1ulp s LEU 95 Ca 0.72 -1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1ulp s LEU 95 Cb -0.81 -0.24 0.06 0.00 0.03 0.00 0.00 46.19 45.23 1ulp s LEU 95 CO 0.52 -0.50 0.83 1.07 0.23 0.00 0.00 176.35 178.50 1ulp n THR 96 N -0.36 0.00 0.27 5.49 5.66 -1.19 -3.39 114.28 120.76 1ulp n THR 96 Ca -0.06 -0.64 0.15 0.00 -3.05 0.00 0.00 64.05 60.45 1ulp n THR 96 Cb 0.63 0.75 0.72 0.00 -1.55 0.00 0.00 70.33 70.89 1ulp n THR 96 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ulp h SER 97 N 1.74 0.00 -2.47 1.09 4.64 -1.68 -2.70 113.55 114.17 1ulp h SER 97 Ca -0.26 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.62 1ulp h SER 97 Cb 1.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.21 1ulp h SER 97 CO 0.34 0.08 -0.03 -1.61 -0.87 0.00 0.00 176.83 174.75 1ulp s GLU 98 N -3.88 2.48 0.13 4.77 8.01 -1.26 -4.92 118.70 124.04 1ulp s GLU 98 Ca -0.01 -0.82 -0.30 0.00 0.01 0.00 0.00 54.97 53.85 1ulp s GLU 98 Cb 0.11 -2.48 -0.07 0.00 -4.31 0.00 0.00 34.13 27.38 1ulp s GLU 98 CO 0.56 -0.76 1.24 -1.25 0.01 0.00 0.00 175.26 175.06 1ulp s PRO 99 N -4.78 4.43 -0.48 0.39 0.04 -1.26 -4.69 135.00 128.65 1ulp s PRO 99 Ca 0.58 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1ulp s PRO 99 Cb -0.10 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.29 1ulp s PRO 99 CO 0.39 -0.22 0.21 1.03 0.04 0.00 0.00 177.00 178.45 1ulp s ARG 100 N 0.45 1.86 0.53 4.56 0.52 -1.01 -5.03 118.95 120.83 1ulp s ARG 100 Ca 0.57 -2.43 -0.18 0.00 -0.52 0.00 0.00 55.73 53.17 1ulp s ARG 100 Cb -0.33 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.78 1ulp s ARG 100 CO 0.33 -1.07 1.03 -0.65 0.02 0.00 0.00 175.30 174.96 1ulp s GLN 101 N 0.02 3.67 -0.04 3.54 -1.52 -1.26 -1.81 119.66 122.26 1ulp s GLN 101 Ca 0.15 1.23 0.02 0.00 -1.95 0.00 0.00 55.36 54.81 1ulp s GLN 101 Cb -0.24 -2.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.48 1ulp s GLN 101 CO -0.02 -0.52 -0.09 0.08 -0.25 0.00 0.00 175.29 174.49 1ulp s VAL 102 N -2.26 0.79 -0.20 1.09 1.01 0.21 -4.90 120.40 116.15 1ulp s VAL 102 Ca 0.64 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1ulp s VAL 102 Cb -0.15 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.60 1ulp s VAL 102 CO 0.27 0.26 0.36 -0.89 0.00 0.00 0.00 175.10 175.11 1ulp s THR 103 N 0.46 -0.57 -0.28 3.92 2.01 -1.25 -2.23 115.64 117.70 1ulp s THR 103 Ca -0.08 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 1ulp s THR 103 Cb -0.11 -0.66 0.08 0.00 0.01 0.00 0.00 72.50 71.82 1ulp s THR 103 CO 0.01 0.02 0.70 -1.61 -0.69 0.00 0.00 174.62 173.05 1ulp s GLU 104 N 2.54 0.70 -0.49 4.92 2.02 -1.11 -5.00 118.70 122.28 1ulp s GLU 104 Ca 0.03 1.21 -0.22 0.00 0.02 0.00 0.00 54.97 56.01 1ulp s GLU 104 Cb -0.13 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.28 1ulp s GLU 104 CO -0.13 -0.15 0.77 0.99 0.02 0.00 0.00 175.26 176.76 1ulp s THR 105 N 1.63 4.66 0.19 3.63 2.01 -1.26 -1.64 115.64 124.86 1ulp s THR 105 Ca -0.10 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.05 1ulp s THR 105 Cb -0.05 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1ulp s THR 105 CO -0.20 -0.85 0.03 0.72 -0.69 0.00 0.00 174.62 173.64 1ulp s PHE 106 N 3.24 2.88 -0.95 4.92 -0.71 -1.12 -4.88 117.98 121.35 1ulp s PHE 106 Ca 0.25 -0.13 -0.18 0.00 -1.04 0.00 0.00 56.93 55.82 1ulp s PHE 106 Cb -0.14 -1.37 0.14 0.00 -1.21 0.00 0.00 43.02 40.44 1ulp s PHE 106 CO 0.18 0.53 1.14 0.99 -1.34 0.00 0.00 175.22 176.72 1ulp s THR 107 N -1.85 4.80 -0.94 -4.49 2.01 -1.26 -1.60 115.64 112.30 1ulp s THR 107 Ca 0.29 -1.72 -0.27 0.00 0.31 0.00 0.00 61.69 60.30 1ulp s THR 107 Cb -0.09 -4.78 -0.22 0.00 0.01 0.00 0.00 72.50 67.42 1ulp s THR 107 CO 0.20 -1.50 2.58 0.00 -0.69 0.00 0.00 174.62 175.21 1ulp n ALA 108 N 6.34 0.48 -1.51 7.40 0.00 0.43 -4.59 120.51 129.05 1ulp n ALA 108 Ca 0.25 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1ulp n ALA 108 Cb 0.48 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 1ulp n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ulp n SER 109 N 10.55 6.95 0.00 0.00 3.41 -1.26 -1.99 113.62 131.28 1ulp n SER 109 Ca 0.63 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1ulp n SER 109 Cb 0.11 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 1.75 0.00 -3.19 7.33 0.00 -0.96 -4.60 120.51 120.84 1ulp n ALA 110 Ca 0.55 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.02 1ulp n ALA 110 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1ulp n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 111 N -1.48 -0.98 -0.52 0.00 2.01 -1.26 0.16 115.64 113.57 1ulp s THR 111 Ca 0.00 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 111 Cb 0.00 -0.99 0.14 0.00 0.01 0.00 0.00 72.50 71.66 1ulp s THR 111 CO 0.00 -0.01 0.31 -0.31 -0.69 0.00 0.00 174.62 173.93 1ulp s TYR 112 N 2.85 3.48 -0.02 4.92 2.02 0.02 -4.79 117.35 125.83 1ulp s TYR 112 Ca 0.19 -2.65 0.00 0.00 -0.37 0.00 0.00 57.07 54.24 1ulp s TYR 112 Cb -0.15 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 1ulp s TYR 112 CO -0.21 -0.89 1.33 -0.35 -1.57 0.00 0.00 175.55 173.86 1ulp n PRO 113 N 3.93 1.05 -3.71 -1.71 -0.04 -1.26 -1.71 135.00 131.55 1ulp n PRO 113 Ca 0.03 -0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 1ulp n PRO 113 Cb 0.39 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 1ulp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 114 N 0.74 -1.59 -3.97 0.55 0.00 -1.18 -4.86 120.51 110.20 1ulp n ALA 114 Ca 0.02 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1ulp n ALA 114 Cb 0.53 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 1ulp n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ulp s THR 115 N -3.78 2.48 -1.21 0.00 -4.23 -1.26 -4.97 115.64 102.67 1ulp s THR 115 Ca 0.06 -2.47 -0.19 0.00 -1.18 0.00 0.00 61.69 57.91 1ulp s THR 115 Cb -0.04 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1ulp s THR 115 CO 0.68 -0.65 1.93 -0.81 -0.54 0.00 0.00 174.62 175.23 1ulp n PRO 116 N 4.11 2.40 -4.02 3.99 -0.04 -1.26 -2.71 135.00 137.46 1ulp n PRO 116 Ca 0.04 -2.67 -0.09 0.00 -0.04 0.00 0.00 63.50 60.73 1ulp n PRO 116 Cb 0.40 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 117 N 5.97 -0.06 -0.03 0.55 0.00 -0.84 -5.03 121.76 122.32 1ulp s ALA 117 Ca 0.57 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1ulp s ALA 117 Cb 0.07 1.10 -0.07 0.00 0.00 0.00 0.00 23.12 24.22 1ulp s ALA 117 CO 0.07 -0.81 0.60 0.00 0.00 0.00 0.00 175.76 175.62 1ulp h ALA 118 N 2.32 -0.53 0.00 0.00 0.00 -1.93 -3.30 119.26 115.81 1ulp h ALA 118 Ca -0.28 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1ulp h ALA 118 Cb 1.25 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1ulp h ALA 118 CO 0.38 -0.50 -0.36 0.38 0.00 0.00 0.00 179.25 179.16 1ulp h ASP 119 N -0.88 0.00 -3.56 0.00 2.03 -1.96 -3.37 116.42 108.68 1ulp h ASP 119 Ca -0.04 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.51 1ulp h ASP 119 Cb 0.33 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 38.55 1ulp h ASP 119 CO 0.07 0.36 -0.24 -1.81 -1.03 0.00 0.00 179.24 176.59 1ulp s ASP 120 N -6.81 5.96 0.56 4.15 1.01 -1.24 -5.01 116.67 115.28 1ulp s ASP 120 Ca -0.02 -2.27 -0.17 0.00 0.71 0.00 0.00 52.55 50.79 1ulp s ASP 120 Cb 0.14 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 1ulp s ASP 120 CO 0.71 -0.63 1.05 -2.16 0.21 0.00 0.00 175.17 174.36 1ulp s PRO 121 N 0.83 3.48 0.00 8.23 0.04 -1.25 -1.99 135.00 144.33 1ulp s PRO 121 Ca 0.10 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1ulp s PRO 121 Cb -0.22 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1ulp s PRO 121 CO -0.03 -0.69 0.00 -0.85 0.04 0.00 0.00 177.00 175.47 1ulp n GLU 122 N -1.65 1.55 -3.62 4.56 0.00 -1.08 -4.07 120.64 116.34 1ulp n GLU 122 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.16 1ulp n GLU 122 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.90 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 123 N 0.00 -0.17 0.00 -1.84 0.00 -1.26 -1.33 107.32 102.72 1ulp s GLY 123 Ca 0.00 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.21 1ulp s GLY 123 CO 0.00 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1ulp n GLN 124 N 1.71 0.00 -4.66 2.90 10.64 -0.88 -1.59 117.38 125.49 1ulp n GLN 124 Ca -0.12 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.75 1ulp n GLN 124 Cb 0.57 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.81 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -1.96 2.46 -0.16 -0.39 1.01 -1.12 -2.84 121.20 118.20 1ulp s ILE 125 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.25 1ulp s ILE 125 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.46 1ulp s ILE 125 CO 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 174.94 175.04 1ulp s ALA 126 N -0.93 2.11 -0.41 9.38 0.00 -0.83 -2.95 121.76 128.13 1ulp s ALA 126 Ca 0.14 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1ulp s ALA 126 Cb -0.10 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 22.02 1ulp s ALA 126 CO 0.05 -0.33 0.17 -0.06 0.00 0.00 0.00 175.76 175.58 1ulp s PHE 127 N 1.33 3.60 -0.87 0.00 0.40 -0.76 -2.26 117.98 119.42 1ulp s PHE 127 Ca 0.04 -2.79 -0.20 0.00 -0.60 0.00 0.00 56.93 53.38 1ulp s PHE 127 Cb -0.13 -3.05 0.11 0.00 0.51 0.00 0.00 43.02 40.46 1ulp s PHE 127 CO -0.11 -0.92 1.11 -0.65 0.70 0.00 0.00 175.22 175.35 1ulp s GLN 128 N 0.76 3.47 -0.70 0.44 -1.52 -0.07 -1.25 119.66 120.79 1ulp s GLN 128 Ca 0.11 -1.47 -0.02 0.00 -1.95 0.00 0.00 55.36 52.03 1ulp s GLN 128 Cb -0.21 -4.78 0.41 0.00 -0.22 0.00 0.00 33.01 28.21 1ulp s GLN 128 CO -0.05 -1.82 2.04 1.28 -0.25 0.00 0.00 175.29 176.49 1ulp n LEU 129 N 7.04 7.63 -4.67 2.90 4.77 0.39 -3.02 117.00 132.03 1ulp n LEU 129 Ca 0.18 -4.40 -0.37 0.00 -0.03 0.00 0.00 56.01 51.38 1ulp n LEU 129 Cb 0.48 -1.01 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1ulp n LEU 129 CO 0.55 1.54 -0.06 -0.83 -1.33 0.00 0.00 177.39 177.26 1ulp s GLY 130 N -1.56 2.04 -1.05 -0.72 0.00 -0.72 -2.45 107.32 102.86 1ulp s GLY 130 Ca 0.61 -0.71 -0.21 0.00 0.00 0.00 0.00 44.72 44.40 1ulp s GLY 130 CO -0.12 0.55 0.64 0.61 0.00 0.00 0.00 173.10 174.78 1ulp n GLY 131 N 4.05 -1.02 0.94 0.20 0.00 -0.37 -4.85 105.19 104.14 1ulp n GLY 131 Ca -0.12 0.44 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 1ulp n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ulp n PHE 132 N -4.09 0.00 -2.40 1.61 3.72 -1.25 -5.00 117.46 110.04 1ulp n PHE 132 Ca -0.20 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 1ulp n PHE 132 Cb 0.61 -0.04 0.14 0.00 -0.94 0.00 0.00 39.48 39.25 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N -5.81 3.87 0.00 4.37 0.15 -1.26 -4.96 113.70 110.06 1ulp s SER 133 Ca -0.02 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1ulp s SER 133 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ulp s SER 133 CO 0.04 -2.20 0.00 0.00 1.20 0.00 0.00 173.24 172.27 1ulp n ALA 134 N -3.16 0.00 -0.53 5.45 0.00 -1.26 -3.80 120.51 117.21 1ulp n ALA 134 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 1ulp n ALA 134 Cb 0.60 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.34 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s ASP 135 N -1.00 -0.91 0.17 0.00 1.01 -1.26 0.25 116.67 114.94 1ulp s ASP 135 Ca 0.00 0.69 -0.30 0.00 0.71 0.00 0.00 52.55 53.65 1ulp s ASP 135 Cb 0.00 -0.93 -0.07 0.00 1.01 0.00 0.00 42.92 42.92 1ulp s ASP 135 CO 0.00 -5.25 1.05 0.00 0.21 0.00 0.00 175.17 171.18 1ulp s ALA 136 N -2.45 3.34 0.00 5.23 0.00 -1.26 -1.80 121.76 124.82 1ulp s ALA 136 Ca 0.70 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1ulp s ALA 136 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ulp s ALA 136 CO 0.56 -0.11 0.00 -2.67 0.00 0.00 0.00 175.76 173.54 1ulp n TRP 137 N 2.32 0.00 -3.84 0.00 2.14 -0.76 -4.86 117.44 112.44 1ulp n TRP 137 Ca 0.02 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.52 1ulp n TRP 137 Cb 0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.96 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N 0.14 0.00 -0.06 -1.67 -1.32 -1.26 -1.15 115.64 110.32 1ulp s THR 138 Ca 0.00 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1ulp s THR 138 Cb 0.00 -2.22 0.02 0.00 -1.51 0.00 0.00 72.50 68.79 1ulp s THR 138 CO 0.00 0.00 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.58 1ulp s LEU 139 N -2.96 1.36 -0.38 9.08 1.02 -1.14 -3.69 118.68 121.96 1ulp s LEU 139 Ca 0.12 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.10 1ulp s LEU 139 Cb -0.06 -0.60 0.11 0.00 0.02 0.00 0.00 46.19 45.66 1ulp s LEU 139 CO 0.08 -0.04 0.13 0.00 0.02 0.00 0.00 176.35 176.53 1ulp n LEU 141 N 4.04 0.00 0.00 0.00 4.77 -0.10 -1.78 117.00 123.93 1ulp n LEU 141 Ca 0.04 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1ulp n LEU 141 Cb 0.39 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1ulp n LEU 141 CO 0.22 -0.87 0.00 -0.90 -1.33 0.00 0.00 177.39 174.51 1ulp n ASP 142 N -3.07 0.00 0.00 -1.43 5.68 -1.22 -1.52 116.55 114.99 1ulp n ASP 142 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1ulp n ASP 142 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 143 N 0.00 0.00 -4.55 -1.12 2.03 -1.26 -4.40 116.55 107.25 1ulp n ASP 143 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1ulp n ASP 143 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ulp s VAL 144 N 0.00 5.08 0.01 5.18 1.01 -1.22 -2.21 120.40 128.25 1ulp s VAL 144 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1ulp s VAL 144 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ulp s VAL 144 CO 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 175.10 174.87 1ulp s ALA 145 N 2.24 0.25 -0.20 5.51 0.00 -0.91 -3.01 121.76 125.66 1ulp s ALA 145 Ca 0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1ulp s ALA 145 Cb -0.16 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1ulp s ALA 145 CO 0.13 -0.03 0.47 -1.17 0.00 0.00 0.00 175.76 175.16 1ulp s LEU 146 N -0.82 -0.31 0.06 0.00 2.96 -1.26 -2.75 118.68 116.55 1ulp s LEU 146 Ca -0.07 1.04 -0.27 0.00 -0.22 0.00 0.00 54.13 54.61 1ulp s LEU 146 Cb -0.06 1.58 0.07 0.00 0.50 0.00 0.00 46.19 48.29 1ulp s LEU 146 CO -0.00 -0.21 0.64 -0.62 -1.32 0.00 0.00 176.35 174.84 1ulp s ASP 147 N 1.51 -0.61 0.25 3.68 -1.08 -1.26 -3.95 116.67 115.20 1ulp s ASP 147 Ca -0.09 0.36 -0.08 0.00 -0.52 0.00 0.00 52.55 52.21 1ulp s ASP 147 Cb -0.08 0.57 -0.07 0.00 -1.46 0.00 0.00 42.92 41.89 1ulp s ASP 147 CO -0.14 -0.79 0.55 -0.55 0.52 0.00 0.00 175.17 174.75 1ulp s SER 148 N -1.98 6.57 -0.60 -0.34 0.15 -1.25 -3.23 113.70 113.02 1ulp s SER 148 Ca -0.05 0.86 0.02 0.00 0.70 0.00 0.00 55.95 57.47 1ulp s SER 148 Cb -0.01 -2.20 0.41 0.00 -1.71 0.00 0.00 66.02 62.51 1ulp s SER 148 CO -0.02 -0.11 1.62 -0.62 1.20 0.00 0.00 173.24 175.31 1ulp n GLU 149 N -0.38 3.08 -0.66 5.44 4.71 -1.25 -4.49 120.64 127.09 1ulp n GLU 149 Ca -0.00 -3.88 0.00 0.00 -0.01 0.00 0.00 57.16 53.28 1ulp n GLU 149 Cb 0.53 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 1ulp n GLU 149 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1ulp n VAL 150 N -0.62 0.00 -3.50 2.62 3.14 -1.26 -5.02 118.33 113.69 1ulp n VAL 150 Ca 0.50 -0.15 -0.00 0.00 -2.96 0.00 0.00 64.34 61.72 1ulp n VAL 150 Cb 0.56 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.88 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ulp n GLU 151 N 0.08 0.04 0.00 1.45 1.02 -1.26 -5.15 120.64 116.81 1ulp n GLU 151 Ca 0.00 -0.10 0.15 0.00 -0.02 0.00 0.00 57.16 57.19 1ulp n GLU 151 Cb 0.75 0.14 0.75 0.00 -0.02 0.00 0.00 31.44 33.06 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59