#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 4.59 -4.38 0.00 7.64 -1.26 -4.48 113.62 115.72 1ulp n SER 2 Ca 0.00 -3.32 -0.36 0.00 1.01 0.00 0.00 58.87 56.20 1ulp n SER 2 Cb 0.00 -0.96 -0.04 0.00 -1.01 0.00 0.00 64.21 62.20 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ulp n PRO 3 N 1.52 2.19 -1.61 1.43 -0.04 -1.26 -4.59 135.00 132.65 1ulp n PRO 3 Ca 0.26 -2.65 -0.31 0.00 -0.04 0.00 0.00 63.50 60.76 1ulp n PRO 3 Cb 0.37 -3.51 0.06 0.00 -0.04 0.00 0.00 33.50 30.38 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 6.89 3.23 0.00 0.52 -5.35 -1.26 -4.87 119.36 118.52 1ulp n ILE 4 Ca 0.47 -3.45 0.00 0.00 -0.27 0.00 0.00 62.75 59.50 1ulp n ILE 4 Cb 0.45 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.19 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 -0.83 3.05 2.23 3.28 0.00 -1.26 -4.69 105.19 106.97 1ulp n GLY 5 Ca 0.56 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -2.53 -0.66 1.61 1.02 -0.01 -4.75 120.64 115.31 1ulp n GLU 6 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1ulp n GLU 6 Cb 0.00 -4.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.91 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ulp n GLY 7 N -0.45 2.49 3.76 0.62 0.00 -1.26 -4.85 105.19 105.51 1ulp n GLY 7 Ca -0.02 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1ulp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 8 N -2.92 2.71 -1.00 2.61 -4.23 -1.26 -0.17 115.64 111.38 1ulp s THR 8 Ca 0.00 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1ulp s THR 8 Cb 0.00 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 71.16 1ulp s THR 8 CO 0.00 -0.30 2.31 0.49 -0.54 0.00 0.00 174.62 176.57 1ulp n PHE 9 N -3.70 2.45 -2.45 3.99 3.01 -1.26 -4.59 117.46 114.91 1ulp n PHE 9 Ca 0.07 -2.50 -0.31 0.00 1.01 0.00 0.00 57.45 55.72 1ulp n PHE 9 Cb 0.56 -1.51 0.00 0.00 -0.01 0.00 0.00 39.48 38.53 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ulp n ASP 10 N 0.86 5.46 0.00 4.37 2.03 -1.26 -3.68 116.55 124.32 1ulp n ASP 10 Ca 0.55 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 52.12 1ulp n ASP 10 Cb 0.32 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ulp n ASP 11 N -0.43 0.00 -0.47 1.67 2.03 -1.26 -5.09 116.55 113.00 1ulp n ASP 11 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1ulp n ASP 11 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 12 N 0.00 -3.65 0.00 0.27 0.00 -1.26 -4.68 105.19 95.87 1ulp n GLY 12 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.17 1ulp n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulp n PRO 13 N -0.49 0.87 0.00 1.61 -0.04 -1.26 -4.93 135.00 130.75 1ulp n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ulp n PRO 13 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.71 0.00 0.00 0.54 4.71 -1.26 -1.78 120.64 122.14 1ulp n GLU 14 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1ulp n GLU 14 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.47 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 -1.87 3.56 0.62 0.00 -1.26 -5.02 105.19 101.22 1ulp n GLY 15 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ulp n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulp s TRP 16 N 0.00 1.98 0.18 1.61 0.52 -0.74 -4.30 118.94 118.20 1ulp s TRP 16 Ca 0.00 0.28 -0.03 0.00 0.02 0.00 0.00 56.10 56.37 1ulp s TRP 16 Cb 0.00 -4.25 -0.05 0.00 -1.15 0.00 0.00 33.47 28.02 1ulp s TRP 16 CO 0.00 -1.94 0.41 0.14 0.02 0.00 0.00 176.95 175.58 1ulp s VAL 17 N 8.37 5.16 -0.07 4.03 -7.23 -0.52 -4.94 120.40 125.20 1ulp s VAL 17 Ca 0.61 -0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 1ulp s VAL 17 Cb -0.07 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.21 1ulp s VAL 17 CO 0.03 -0.09 -0.10 0.00 -0.31 0.00 0.00 175.10 174.64 1ulp s ALA 18 N -1.79 1.17 0.24 1.32 0.00 -1.26 -1.17 121.76 120.27 1ulp s ALA 18 Ca 0.41 -0.38 0.11 0.00 0.00 0.00 0.00 51.96 52.10 1ulp s ALA 18 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1ulp s ALA 18 CO 0.27 -0.03 -0.20 1.52 0.00 0.00 0.00 175.76 177.31 1ulp s TYR 19 N 0.96 2.19 0.00 0.00 -0.85 -0.70 -4.70 117.35 114.25 1ulp s TYR 19 Ca -0.09 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1ulp s TYR 19 Cb -0.15 -0.99 0.00 0.00 0.38 0.00 0.00 41.96 41.20 1ulp s TYR 19 CO 0.00 0.60 0.00 0.41 -1.52 0.00 0.00 175.55 175.04 1ulp n GLY 20 N -0.32 1.11 0.00 5.49 0.00 -1.26 -2.23 105.19 107.97 1ulp n GLY 20 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.80 0.00 -3.49 2.61 -2.24 -1.26 -4.39 114.28 103.71 1ulp n THR 21 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1ulp n THR 21 Cb 0.24 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1ulp n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulp s ASP 22 N 1.54 6.55 0.22 3.42 2.15 -1.24 -4.97 116.67 124.35 1ulp s ASP 22 Ca 0.00 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1ulp s ASP 22 Cb 0.00 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1ulp s ASP 22 CO 0.00 0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 1ulp n GLY 23 N 3.06 -0.05 0.00 2.66 0.00 -1.26 -4.75 105.19 104.85 1ulp n GLY 23 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.36 1.03 -3.88 1.61 -0.04 -1.26 -4.98 135.00 127.12 1ulp n PRO 24 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1ulp n PRO 24 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1ulp n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ulp s LEU 25 N 0.00 4.13 -0.04 1.53 2.34 -1.26 -4.72 118.68 120.66 1ulp s LEU 25 Ca 0.00 -0.06 0.06 0.00 0.06 0.00 0.00 54.13 54.18 1ulp s LEU 25 Cb 0.00 -2.73 -0.02 0.00 -0.56 0.00 0.00 46.19 42.88 1ulp s LEU 25 CO 0.00 -0.16 -0.20 -0.62 -1.06 0.00 0.00 176.35 174.31 1ulp s ASP 26 N -4.00 3.58 0.00 1.48 2.15 -1.15 -5.00 116.67 113.72 1ulp s ASP 26 Ca 0.37 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1ulp s ASP 26 Cb -0.09 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 1ulp s ASP 26 CO 0.29 0.33 0.00 0.35 -0.17 0.00 0.00 175.17 175.97 1ulp n THR 27 N 2.36 0.00 0.26 1.71 -2.24 -1.26 -0.89 114.28 114.23 1ulp n THR 27 Ca -0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ulp n THR 27 Cb 0.52 0.06 0.45 0.00 -2.10 0.00 0.00 70.33 69.25 1ulp n THR 27 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ulp h SER 28 N 0.00 0.00 0.00 3.42 0.02 -1.90 0.21 113.55 115.31 1ulp h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ulp h SER 28 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ulp h SER 28 CO 0.00 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 176.76 1ulp n THR 29 N -2.44 0.00 0.00 -2.27 5.66 -1.26 -4.76 114.28 109.21 1ulp n THR 29 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1ulp n THR 29 Cb 0.51 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 0.14 1.29 3.50 1.09 0.00 0.05 -5.00 105.19 106.26 1ulp n GLY 30 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.30 -0.24 -0.93 4.61 0.00 -1.14 -4.29 121.76 117.48 1ulp s ALA 31 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 1ulp s ALA 31 Cb 0.00 1.00 0.11 0.00 0.00 0.00 0.00 23.12 24.22 1ulp s ALA 31 CO 0.00 -0.79 1.19 -1.17 0.00 0.00 0.00 175.76 174.99 1ulp s LEU 32 N -2.99 4.61 -0.39 0.00 2.96 -0.94 -4.00 118.68 117.94 1ulp s LEU 32 Ca 0.20 -1.80 -0.15 0.00 -0.22 0.00 0.00 54.13 52.16 1ulp s LEU 32 Cb 0.01 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1ulp s LEU 32 CO 0.05 -1.21 0.30 0.00 -1.32 0.00 0.00 176.35 174.18 1ulp s VAL 34 N 1.76 4.84 -1.28 0.00 -7.23 -1.09 -2.95 120.40 114.46 1ulp s VAL 34 Ca 0.07 0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 60.92 1ulp s VAL 34 Cb -0.18 -3.71 0.16 0.00 0.56 0.00 0.00 36.38 33.20 1ulp s VAL 34 CO 0.11 0.16 1.81 0.00 -0.31 0.00 0.00 175.10 176.86 1ulp n ALA 35 N 0.56 5.02 -1.73 1.32 0.00 -1.26 -2.96 120.51 121.47 1ulp n ALA 35 Ca -0.04 -4.26 -0.42 0.00 0.00 0.00 0.00 53.44 48.72 1ulp n ALA 35 Cb 0.52 -3.05 -0.02 0.00 0.00 0.00 0.00 19.45 16.90 1ulp n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ulp n VAL 36 N 3.80 0.81 -0.91 0.00 0.31 -0.02 -3.67 118.33 118.66 1ulp n VAL 36 Ca 0.40 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 64.23 1ulp n VAL 36 Cb 0.38 -1.87 0.24 0.00 -0.91 0.00 0.00 33.84 31.69 1ulp n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ulp s PRO 37 N -0.18 -1.39 0.14 5.55 0.04 -1.26 -2.01 135.00 135.89 1ulp s PRO 37 Ca 0.67 0.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.50 1ulp s PRO 37 Cb -0.53 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1ulp s PRO 37 CO 0.46 -3.85 1.79 0.00 0.04 0.00 0.00 177.00 175.43 1ulp s ALA 38 N -2.81 3.79 0.00 8.56 0.00 -1.26 -2.47 121.76 127.56 1ulp s ALA 38 Ca 0.70 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1ulp s ALA 38 Cb -0.13 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1ulp s ALA 38 CO 0.57 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1ulp n GLY 39 N 4.15 -0.32 3.80 0.00 0.00 0.23 -2.47 105.19 110.59 1ulp n GLY 39 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ulp n SER 40 N -0.67 -1.31 -4.46 1.61 2.88 -1.03 -3.65 113.62 106.99 1ulp n SER 40 Ca 0.00 -0.47 -0.43 0.00 -1.33 0.00 0.00 58.87 56.64 1ulp n SER 40 Cb 0.32 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp s ALA 41 N -4.40 3.14 0.00 -1.46 0.00 -1.03 -1.07 121.76 116.93 1ulp s ALA 41 Ca 0.16 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ulp s ALA 41 Cb -0.09 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ulp s ALA 41 CO 0.35 -2.69 0.00 0.00 0.00 0.00 0.00 175.76 173.41 1ulp n GLN 42 N 7.58 0.00 0.12 0.00 10.64 -1.26 -4.94 117.38 129.52 1ulp n GLN 42 Ca -0.04 0.00 0.19 0.00 -1.83 0.00 0.00 57.00 55.33 1ulp n GLN 42 Cb 0.45 0.00 0.67 0.00 -0.86 0.00 0.00 30.24 30.51 1ulp n GLN 42 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1ulp h TYR 43 N 0.00 0.00 0.00 2.61 -0.00 -2.01 -3.46 116.97 114.11 1ulp h TYR 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ulp h TYR 43 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1ulp h TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ulp n GLY 44 N -1.46 3.91 3.98 0.10 0.00 -1.26 -5.00 105.19 105.45 1ulp n GLY 44 Ca 0.07 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 2.14 0.00 1.61 1.01 -1.08 -4.77 120.40 119.31 1ulp s VAL 45 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ulp s VAL 45 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1ulp s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 46 N -2.98 2.79 3.45 4.51 0.00 -0.95 -0.22 105.19 111.79 1ulp n GLY 46 Ca 0.14 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -1.93 2.76 0.04 1.61 1.01 0.15 -1.72 120.40 122.33 1ulp s VAL 47 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1ulp s VAL 47 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1ulp s VAL 47 CO 0.00 0.38 -0.05 0.68 0.00 0.00 0.00 175.10 176.12 1ulp s VAL 48 N -0.88 0.31 -0.29 2.92 -7.23 -0.31 -0.71 120.40 114.21 1ulp s VAL 48 Ca 0.14 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1ulp s VAL 48 Cb -0.10 -0.86 0.11 0.00 0.56 0.00 0.00 36.38 36.08 1ulp s VAL 48 CO 0.04 -0.66 0.15 -0.22 -0.31 0.00 0.00 175.10 174.11 1ulp s LEU 49 N -2.08 0.46 0.10 1.32 2.96 -1.12 -1.44 118.68 118.88 1ulp s LEU 49 Ca -0.05 -1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 52.31 1ulp s LEU 49 Cb -0.03 -0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.36 1ulp s LEU 49 CO -0.04 -0.43 1.03 0.21 -1.32 0.00 0.00 176.35 175.81 1ulp s ASN 50 N 2.10 7.36 0.00 3.68 2.47 -1.26 -2.57 114.94 126.72 1ulp s ASN 50 Ca 0.09 1.87 0.00 0.00 0.42 0.00 0.00 52.86 55.24 1ulp s ASN 50 Cb -0.16 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1ulp s ASN 50 CO -0.35 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.44 1ulp n GLY 51 N 2.46 -0.14 3.49 1.21 0.00 -1.01 -4.95 105.19 106.26 1ulp n GLY 51 Ca 0.04 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 2.42 -0.35 1.61 1.01 -0.39 -4.61 120.40 120.10 1ulp s VAL 52 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.62 1ulp s VAL 52 Cb 0.00 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.12 1ulp s VAL 52 CO 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 175.10 174.88 1ulp s ALA 53 N -2.54 1.78 0.15 5.51 0.00 -1.10 -2.56 121.76 123.01 1ulp s ALA 53 Ca 0.31 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.31 1ulp s ALA 53 Cb -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1ulp s ALA 53 CO 0.15 -1.80 -0.09 0.42 0.00 0.00 0.00 175.76 174.44 1ulp s ILE 54 N 1.20 1.15 -0.14 0.00 -1.09 -0.54 -4.84 121.20 116.95 1ulp s ILE 54 Ca 0.12 -2.06 -0.07 0.00 -2.23 0.00 0.00 60.65 56.41 1ulp s ILE 54 Cb -0.20 -1.89 0.05 0.00 -1.58 0.00 0.00 42.46 38.85 1ulp s ILE 54 CO -0.16 -0.71 0.33 -1.83 -1.23 0.00 0.00 174.94 171.34 1ulp s GLU 55 N -3.76 0.30 0.00 2.79 -1.05 -1.21 -0.74 118.70 115.03 1ulp s GLU 55 Ca 0.18 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 1ulp s GLU 55 Cb 0.03 -0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 1ulp s GLU 55 CO 0.01 -0.15 0.00 -0.85 0.95 0.00 0.00 175.26 175.22 1ulp n GLU 56 N 4.17 0.00 -2.82 -4.83 0.28 0.38 -3.85 120.64 113.98 1ulp n GLU 56 Ca -0.24 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.33 1ulp n GLU 56 Cb 0.54 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.37 1ulp n GLU 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 57 N 0.00 1.44 0.30 -1.84 0.00 -1.22 -2.06 107.32 103.94 1ulp s GLY 57 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1ulp s GLY 57 CO 0.00 2.06 0.17 -1.59 0.00 0.00 0.00 173.10 173.74 1ulp s THR 58 N 3.88 0.25 0.16 0.90 2.01 -0.56 -4.94 115.64 117.33 1ulp s THR 58 Ca 0.35 -2.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.21 1ulp s THR 58 Cb -0.11 -2.51 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 1ulp s THR 58 CO 0.24 0.00 0.57 -0.89 -0.69 0.00 0.00 174.62 173.85 1ulp s THR 59 N -3.64 4.83 0.04 -0.82 2.01 -1.26 -1.04 115.64 115.76 1ulp s THR 59 Ca 0.36 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 63.01 1ulp s THR 59 Cb 0.05 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.87 1ulp s THR 59 CO 0.18 0.20 0.45 -0.31 -0.69 0.00 0.00 174.62 174.46 1ulp s TYR 60 N -1.51 -0.33 -0.21 4.92 2.02 -0.91 -4.03 117.35 117.31 1ulp s TYR 60 Ca 0.39 0.33 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1ulp s TYR 60 Cb -0.15 0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.72 1ulp s TYR 60 CO 0.19 -0.60 -0.10 0.99 -1.57 0.00 0.00 175.55 174.47 1ulp s THR 61 N -2.45 1.67 -0.23 -0.71 2.01 -1.21 -1.41 115.64 113.32 1ulp s THR 61 Ca -0.05 -1.07 -0.20 0.00 0.31 0.00 0.00 61.69 60.68 1ulp s THR 61 Cb -0.01 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1ulp s THR 61 CO -0.02 0.14 0.62 -0.22 -0.69 0.00 0.00 174.62 174.44 1ulp s LEU 62 N 1.38 4.10 -0.02 4.42 2.96 -0.43 -4.06 118.68 127.02 1ulp s LEU 62 Ca -0.02 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1ulp s LEU 62 Cb -0.17 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 1ulp s LEU 62 CO -0.08 -0.31 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.35 1ulp s ARG 63 N 2.18 1.44 -0.27 1.98 0.52 -1.11 -3.02 118.95 120.66 1ulp s ARG 63 Ca 0.27 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 1ulp s ARG 63 Cb -0.16 -1.34 0.18 0.00 0.52 0.00 0.00 34.95 34.15 1ulp s ARG 63 CO 0.09 0.30 1.32 1.52 0.02 0.00 0.00 175.30 178.56 1ulp s TYR 64 N -0.21 -0.07 -0.32 -0.53 -0.85 -1.09 -2.83 117.35 111.45 1ulp s TYR 64 Ca 0.03 0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.70 1ulp s TYR 64 Cb -0.08 0.49 0.09 0.00 0.38 0.00 0.00 41.96 42.84 1ulp s TYR 64 CO 0.00 -0.07 0.02 0.99 -1.52 0.00 0.00 175.55 174.97 1ulp s THR 65 N -1.33 2.36 -0.08 -3.49 2.01 -0.70 -0.37 115.64 114.03 1ulp s THR 65 Ca 0.09 -2.12 -0.04 0.00 0.31 0.00 0.00 61.69 59.93 1ulp s THR 65 Cb -0.01 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1ulp s THR 65 CO -0.06 -0.45 0.10 0.00 -0.69 0.00 0.00 174.62 173.52 1ulp s ALA 66 N 0.98 3.71 -0.25 7.40 0.00 -1.07 -2.99 121.76 129.53 1ulp s ALA 66 Ca 0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1ulp s ALA 66 Cb -0.20 -1.78 0.13 0.00 0.00 0.00 0.00 23.12 21.27 1ulp s ALA 66 CO -0.07 0.64 0.35 0.99 0.00 0.00 0.00 175.76 177.68 1ulp s THR 67 N -1.06 -0.55 -0.17 0.00 2.01 -0.65 -2.53 115.64 112.70 1ulp s THR 67 Ca 0.17 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 1ulp s THR 67 Cb -0.12 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1ulp s THR 67 CO 0.07 -0.20 0.20 0.00 -0.69 0.00 0.00 174.62 174.01 1ulp s ALA 68 N 2.50 3.68 0.59 7.40 0.00 -1.21 -1.96 121.76 132.76 1ulp s ALA 68 Ca 0.11 -0.58 0.31 0.00 0.00 0.00 0.00 51.96 51.80 1ulp s ALA 68 Cb -0.15 -2.24 1.23 0.00 0.00 0.00 0.00 23.12 21.96 1ulp s ALA 68 CO -0.19 0.20 1.55 1.03 0.00 0.00 0.00 175.76 178.35 1ulp h SER 69 N 6.38 0.00 -1.86 0.00 0.87 -1.78 -3.20 113.55 113.96 1ulp h SER 69 Ca -0.43 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.60 1ulp h SER 69 Cb 1.17 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1ulp h SER 69 CO 0.73 0.00 -0.51 0.28 -0.53 0.00 0.00 176.83 176.80 1ulp s THR 70 N -4.57 3.12 -1.39 2.23 -1.32 -1.26 -4.08 115.64 108.36 1ulp s THR 70 Ca -0.04 -1.61 -0.12 0.00 -1.21 0.00 0.00 61.69 58.72 1ulp s THR 70 Cb 0.17 -3.03 0.09 0.00 -1.51 0.00 0.00 72.50 68.21 1ulp s THR 70 CO 0.56 -0.17 2.14 -0.67 -2.21 0.00 0.00 174.62 174.27 1ulp n ASP 71 N -1.21 4.83 -4.75 8.08 2.03 -1.26 -3.28 116.55 120.98 1ulp n ASP 71 Ca -0.03 -2.94 -0.39 0.00 0.52 0.00 0.00 54.79 51.95 1ulp n ASP 71 Cb 0.61 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.39 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ulp s VAL 72 N 1.83 4.84 -0.60 5.18 0.11 -1.24 -4.77 120.40 125.75 1ulp s VAL 72 Ca 0.46 1.43 0.04 0.00 -2.93 0.00 0.00 61.98 60.98 1ulp s VAL 72 Cb 0.13 -4.02 0.15 0.00 -1.53 0.00 0.00 36.38 31.11 1ulp s VAL 72 CO -0.05 0.38 0.37 -0.89 -3.33 0.00 0.00 175.10 171.58 1ulp s THR 73 N -0.05 2.67 0.00 5.04 2.01 -1.26 -1.53 115.64 122.52 1ulp s THR 73 Ca 0.35 -3.75 0.00 0.00 0.31 0.00 0.00 61.69 58.60 1ulp s THR 73 Cb -0.19 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1ulp s THR 73 CO 0.20 -0.91 0.00 1.33 -0.69 0.00 0.00 174.62 174.55 1ulp n VAL 74 N 2.58 0.00 -4.03 3.82 0.24 -1.26 -4.89 118.33 114.78 1ulp n VAL 74 Ca 0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.11 1ulp n VAL 74 Cb 0.34 -1.21 -0.15 0.00 -1.47 0.00 0.00 33.84 31.35 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 1.54 1.77 0.31 7.34 1.81 -1.17 -3.69 118.95 126.86 1ulp s ARG 75 Ca 0.00 -1.65 0.06 0.00 -1.72 0.00 0.00 55.73 52.42 1ulp s ARG 75 Cb 0.00 -3.06 -0.01 0.00 -0.45 0.00 0.00 34.95 31.42 1ulp s ARG 75 CO 0.00 -0.79 0.44 0.00 -0.68 0.00 0.00 175.30 174.27 1ulp s ALA 76 N 0.99 4.15 0.00 2.13 0.00 -0.83 -1.65 121.76 126.54 1ulp s ALA 76 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1ulp s ALA 76 Cb -0.19 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1ulp s ALA 76 CO -0.07 0.04 0.00 1.47 0.00 0.00 0.00 175.76 177.20 1ulp n LEU 77 N -1.58 0.00 -4.07 0.00 -0.00 -0.79 -2.98 117.00 107.58 1ulp n LEU 77 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.88 1ulp n LEU 77 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.92 1ulp n LEU 77 CO 0.43 0.00 -0.03 -0.69 -0.00 0.00 0.00 177.39 177.10 1ulp s VAL 78 N -3.00 0.02 -1.23 1.47 1.01 -1.25 -2.20 120.40 115.22 1ulp s VAL 78 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1ulp s VAL 78 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1ulp s VAL 78 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1ulp n GLY 79 N -0.30 -0.58 3.17 4.51 0.00 -1.18 -3.00 105.19 107.81 1ulp n GLY 79 Ca -0.02 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ulp s GLN 80 N -0.49 1.77 -0.85 1.61 -2.07 -0.36 -1.77 119.66 117.50 1ulp s GLN 80 Ca 0.00 -0.67 -0.21 0.00 -1.82 0.00 0.00 55.36 52.66 1ulp s GLN 80 Cb 0.00 -1.60 0.09 0.00 -1.09 0.00 0.00 33.01 30.41 1ulp s GLN 80 CO 0.00 0.32 1.15 -0.80 -1.32 0.00 0.00 175.29 174.64 1ulp s ASN 81 N -0.17 6.43 0.00 12.60 -0.87 0.44 -4.32 114.94 129.05 1ulp s ASN 81 Ca 0.01 -1.49 0.00 0.00 -1.57 0.00 0.00 52.86 49.80 1ulp s ASN 81 Cb -0.10 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1ulp s ASN 81 CO 0.01 -1.32 0.00 0.61 -2.57 0.00 0.00 177.10 173.83 1ulp n GLY 82 N 5.70 -0.44 3.93 0.66 0.00 -1.26 -2.87 105.19 110.90 1ulp n GLY 82 Ca 0.15 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 83 N -1.30 3.97 -0.07 4.61 0.00 -1.26 0.13 121.76 127.85 1ulp s ALA 83 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1ulp s ALA 83 Cb 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 23.12 21.39 1ulp s ALA 83 CO 0.00 0.69 1.15 -0.35 0.00 0.00 0.00 175.76 177.24 1ulp n PRO 84 N -0.10 1.19 -0.81 0.00 -0.04 -1.26 -4.02 135.00 129.96 1ulp n PRO 84 Ca -0.06 -0.46 0.11 0.00 -0.04 0.00 0.00 63.50 63.06 1ulp n PRO 84 Cb 0.52 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.26 -2.91 0.00 0.54 4.02 0.35 -5.02 117.16 114.39 1ulp n TYR 85 Ca 0.09 1.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.99 1ulp n TYR 85 Cb 0.68 -1.73 0.00 0.00 -0.02 0.00 0.00 39.34 38.26 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ulp n GLY 86 N -2.37 2.79 3.36 2.72 0.00 -1.26 -4.86 105.19 105.57 1ulp n GLY 86 Ca 0.01 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 2.16 0.00 2.61 -4.23 -1.26 -1.22 115.64 113.70 1ulp s THR 87 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1ulp s THR 87 Cb 0.00 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1ulp s THR 87 CO 0.00 0.27 0.00 1.33 -0.54 0.00 0.00 174.62 175.68 1ulp n VAL 88 N 1.50 0.00 -4.61 2.29 0.24 -1.16 -4.83 118.33 111.75 1ulp n VAL 88 Ca -0.17 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.34 61.66 1ulp n VAL 88 Cb 0.52 0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.89 3.13 -0.35 1.34 1.02 -1.25 -4.87 118.68 115.80 1ulp s LEU 89 Ca 0.00 -0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.12 1ulp s LEU 89 Cb 0.00 -1.70 0.16 0.00 0.02 0.00 0.00 46.19 44.66 1ulp s LEU 89 CO 0.00 0.34 0.42 1.51 0.02 0.00 0.00 176.35 178.64 1ulp s ASP 90 N -0.94 0.58 0.24 2.29 1.47 -1.26 -3.88 116.67 115.17 1ulp s ASP 90 Ca 0.13 -1.10 -0.08 0.00 1.18 0.00 0.00 52.55 52.68 1ulp s ASP 90 Cb -0.11 0.92 0.03 0.00 -0.34 0.00 0.00 42.92 43.42 1ulp s ASP 90 CO 0.03 -0.28 0.46 0.35 0.68 0.00 0.00 175.17 176.41 1ulp n THR 91 N 4.62 0.00 -5.27 2.11 -2.24 -1.16 -5.07 114.28 107.27 1ulp n THR 91 Ca 0.08 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1ulp n THR 91 Cb 0.48 0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 1ulp n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ulp s SER 92 N -2.25 3.07 -1.34 3.42 0.01 -1.26 -1.97 113.70 113.37 1ulp s SER 92 Ca 0.10 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 1ulp s SER 92 Cb -0.03 -0.87 0.12 0.00 0.21 0.00 0.00 66.02 65.46 1ulp s SER 92 CO 0.08 0.24 2.08 -0.81 0.41 0.00 0.00 173.24 175.23 1ulp n PRO 93 N 2.98 3.65 -1.69 12.44 -0.04 -1.24 -4.91 135.00 146.19 1ulp n PRO 93 Ca -0.17 -3.29 -0.59 0.00 -0.04 0.00 0.00 63.50 59.40 1ulp n PRO 93 Cb 0.52 -2.93 -0.08 0.00 -0.04 0.00 0.00 33.50 30.97 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 3.87 -0.78 -2.71 0.55 0.00 -1.26 -4.51 120.51 115.67 1ulp n ALA 94 Ca 0.47 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 54.05 1ulp n ALA 94 Cb 0.34 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 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 2.82 2.51 0.00 0.00 1.43 -0.58 -4.94 118.68 119.93 1ulp s LEU 95 Ca 0.98 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1ulp s LEU 95 Cb -1.17 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1ulp s LEU 95 CO 0.67 -0.71 0.00 1.07 0.23 0.00 0.00 176.35 177.61 1ulp n THR 96 N -1.16 0.00 0.16 5.49 5.66 -1.21 -3.70 114.28 119.52 1ulp n THR 96 Ca -0.14 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 60.96 1ulp n THR 96 Cb 0.67 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.95 1ulp n THR 96 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ulp n SER 97 N 0.11 0.49 -4.94 1.09 2.88 -1.21 -3.34 113.62 108.70 1ulp n SER 97 Ca 0.00 0.72 -0.25 0.00 -1.33 0.00 0.00 58.87 58.01 1ulp n SER 97 Cb 0.00 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 62.65 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -3.45 3.49 0.24 -1.46 2.02 -1.26 -4.98 118.70 113.30 1ulp s GLU 98 Ca -0.01 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 1ulp s GLU 98 Cb 0.06 -2.79 -0.09 0.00 0.10 0.00 0.00 34.13 31.41 1ulp s GLU 98 CO 0.19 0.32 1.18 -1.25 0.02 0.00 0.00 175.26 175.72 1ulp s PRO 99 N -3.78 4.53 -0.47 0.39 0.04 -1.26 -4.72 135.00 129.72 1ulp s PRO 99 Ca 0.38 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.35 1ulp s PRO 99 Cb -0.10 -3.20 0.12 0.00 0.04 0.00 0.00 34.50 31.36 1ulp s PRO 99 CO 0.31 0.00 0.20 0.50 0.04 0.00 0.00 177.00 178.06 1ulp s ARG 100 N -0.86 1.84 0.35 4.56 3.52 -1.05 -5.02 118.95 122.30 1ulp s ARG 100 Ca 0.49 -2.40 -0.26 0.00 -0.13 0.00 0.00 55.73 53.43 1ulp s ARG 100 Cb -0.33 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1ulp s ARG 100 CO 0.40 -1.06 1.09 -0.65 -0.81 0.00 0.00 175.30 174.27 1ulp s GLN 101 N 0.07 4.32 -0.08 5.12 -0.21 -1.26 -2.59 119.66 125.03 1ulp s GLN 101 Ca 0.15 1.68 0.05 0.00 0.02 0.00 0.00 55.36 57.26 1ulp s GLN 101 Cb -0.24 -2.81 -0.00 0.00 1.00 0.00 0.00 33.01 30.96 1ulp s GLN 101 CO -0.02 -0.04 -0.23 0.08 -2.12 0.00 0.00 175.29 172.96 1ulp s VAL 102 N -1.43 1.94 -0.34 1.09 1.01 0.50 -4.96 120.40 118.20 1ulp s VAL 102 Ca 0.53 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1ulp s VAL 102 Cb -0.27 -1.66 0.16 0.00 0.00 0.00 0.00 36.38 34.60 1ulp s VAL 102 CO 0.35 0.54 0.41 -0.89 0.00 0.00 0.00 175.10 175.51 1ulp s THR 103 N 0.16 -0.52 0.04 3.92 2.01 -1.25 -2.81 115.64 117.19 1ulp s THR 103 Ca -0.12 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1ulp s THR 103 Cb -0.16 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1ulp s THR 103 CO 0.06 -0.40 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.95 1ulp s GLU 104 N 1.91 0.55 -0.45 4.92 0.41 -1.17 -5.00 118.70 119.87 1ulp s GLU 104 Ca 0.14 -1.10 -0.01 0.00 -0.41 0.00 0.00 54.97 53.59 1ulp s GLU 104 Cb -0.13 0.18 0.12 0.00 -1.78 0.00 0.00 34.13 32.53 1ulp s GLU 104 CO -0.15 -0.10 0.23 0.99 -0.49 0.00 0.00 175.26 175.75 1ulp s THR 105 N -3.42 3.14 0.23 3.63 2.01 -1.26 -1.31 115.64 118.66 1ulp s THR 105 Ca 0.02 -2.42 -0.00 0.00 0.31 0.00 0.00 61.69 59.60 1ulp s THR 105 Cb 0.04 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1ulp s THR 105 CO -0.08 -0.73 0.42 0.72 -0.69 0.00 0.00 174.62 174.26 1ulp s PHE 106 N 0.70 3.48 -0.60 4.92 -0.12 -0.50 -4.82 117.98 121.04 1ulp s PHE 106 Ca 0.11 0.32 -0.21 0.00 -0.05 0.00 0.00 56.93 57.10 1ulp s PHE 106 Cb -0.22 -1.84 0.07 0.00 -0.63 0.00 0.00 43.02 40.40 1ulp s PHE 106 CO -0.04 0.34 0.83 0.99 -0.05 0.00 0.00 175.22 177.29 1ulp s THR 107 N -1.96 4.56 -0.48 -4.49 2.01 -1.26 -2.13 115.64 111.89 1ulp s THR 107 Ca 0.38 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.67 1ulp s THR 107 Cb -0.11 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1ulp s THR 107 CO 0.30 -1.20 2.10 0.00 -0.69 0.00 0.00 174.62 175.13 1ulp s ALA 108 N 3.44 2.12 -0.74 7.40 0.00 -0.21 -4.74 121.76 129.03 1ulp s ALA 108 Ca 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1ulp s ALA 108 Cb -0.18 -4.26 0.17 0.00 0.00 0.00 0.00 23.12 18.85 1ulp s ALA 108 CO 0.11 -3.82 2.43 -1.13 0.00 0.00 0.00 175.76 173.35 1ulp n SER 109 N 13.50 7.07 0.00 0.00 3.41 -1.25 -1.50 113.62 134.85 1ulp n SER 109 Ca 0.28 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 1ulp n SER 109 Cb 0.52 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 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 0.54 0.00 -3.67 7.33 0.00 -0.87 -4.73 120.51 119.10 1ulp n ALA 110 Ca 0.52 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.70 1ulp n ALA 110 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.37 0.16 -0.97 0.00 2.01 -1.26 0.14 115.64 113.35 1ulp s THR 111 Ca 0.00 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1ulp s THR 111 Cb 0.00 -0.71 0.25 0.00 0.01 0.00 0.00 72.50 72.05 1ulp s THR 111 CO 0.00 -0.19 0.97 -1.22 -0.69 0.00 0.00 174.62 173.49 1ulp n TYR 112 N 5.19 4.23 -2.26 4.92 4.01 0.08 -4.56 117.16 128.77 1ulp n TYR 112 Ca -0.07 -3.87 -0.42 0.00 -0.16 0.00 0.00 57.90 53.37 1ulp n TYR 112 Cb 0.48 -1.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.21 1ulp n TYR 112 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ulp s PRO 113 N -1.63 4.29 0.02 -0.72 0.04 -1.26 -1.46 135.00 134.28 1ulp s PRO 113 Ca 0.30 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.33 1ulp s PRO 113 Cb -0.05 -3.58 0.28 0.00 0.04 0.00 0.00 34.50 31.19 1ulp s PRO 113 CO -0.08 -0.57 1.20 0.00 0.04 0.00 0.00 177.00 177.60 1ulp n ALA 114 N 5.41 1.24 -2.70 8.56 0.00 -1.06 -3.32 120.51 128.64 1ulp n ALA 114 Ca 0.13 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 1ulp n ALA 114 Cb 0.44 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1ulp n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 115 N -3.03 4.90 -1.16 0.00 2.01 -1.26 -4.88 115.64 112.22 1ulp s THR 115 Ca 0.02 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.39 1ulp s THR 115 Cb 0.04 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1ulp s THR 115 CO 0.11 -0.73 1.85 -2.16 -0.69 0.00 0.00 174.62 173.00 1ulp s PRO 116 N 2.58 2.95 -0.07 4.92 0.04 -1.26 -4.54 135.00 139.61 1ulp s PRO 116 Ca 0.15 -1.23 -0.12 0.00 0.04 0.00 0.00 61.00 59.85 1ulp s PRO 116 Cb -0.18 -5.30 -0.05 0.00 0.04 0.00 0.00 34.50 29.01 1ulp s PRO 116 CO 0.13 -3.33 0.29 0.00 0.04 0.00 0.00 177.00 174.12 1ulp s ALA 117 N 8.75 3.75 0.27 8.56 0.00 -0.76 -4.98 121.76 137.35 1ulp s ALA 117 Ca 0.63 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1ulp s ALA 117 Cb -0.00 -2.23 0.58 0.00 0.00 0.00 0.00 23.12 21.47 1ulp s ALA 117 CO 0.08 0.47 1.72 0.00 0.00 0.00 0.00 175.76 178.03 1ulp h ALA 118 N 5.14 1.25 0.00 0.00 0.00 -1.99 0.20 119.26 123.87 1ulp h ALA 118 Ca -0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ulp h ALA 118 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ulp h ALA 118 CO 0.63 -0.24 -0.28 -0.44 0.00 0.00 0.00 179.25 178.91 1ulp h ASP 119 N 0.46 0.00 -3.21 0.00 3.32 -1.96 -3.44 116.42 111.59 1ulp h ASP 119 Ca 0.48 -0.01 -0.67 0.00 0.02 0.00 0.00 57.03 56.86 1ulp h ASP 119 Cb 0.81 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.04 1ulp h ASP 119 CO -0.45 0.01 -0.80 -1.81 -1.72 0.00 0.00 179.24 174.46 1ulp s ASP 120 N -5.76 3.61 0.28 6.45 1.01 0.72 -4.89 116.67 118.08 1ulp s ASP 120 Ca 0.05 -0.54 -0.29 0.00 0.71 0.00 0.00 52.55 52.48 1ulp s ASP 120 Cb 0.07 -1.58 -0.09 0.00 1.01 0.00 0.00 42.92 42.33 1ulp s ASP 120 CO 0.70 0.00 1.13 -2.16 0.21 0.00 0.00 175.17 175.05 1ulp s PRO 121 N 1.31 4.59 0.42 8.23 0.04 -1.26 -1.83 135.00 146.51 1ulp s PRO 121 Ca 0.04 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1ulp s PRO 121 Cb -0.14 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.31 1ulp s PRO 121 CO -0.08 0.14 0.57 -0.85 0.04 0.00 0.00 177.00 176.81 1ulp n GLU 122 N 1.29 0.11 -4.93 4.56 0.28 -1.14 -4.14 120.64 116.66 1ulp n GLU 122 Ca -0.00 -1.45 -0.26 0.00 -0.16 0.00 0.00 57.16 55.28 1ulp n GLU 122 Cb 0.44 -0.41 -0.16 0.00 1.43 0.00 0.00 31.44 32.75 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 123 N -3.96 0.95 0.00 -1.84 0.00 -1.21 -0.42 107.32 100.84 1ulp s GLY 123 Ca 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1ulp s GLY 123 CO 0.25 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1ulp n GLN 124 N 2.70 0.00 -5.16 2.90 10.64 -0.73 -1.26 117.38 126.48 1ulp n GLN 124 Ca -0.16 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.70 1ulp n GLN 124 Cb 0.53 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.75 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 -2.07 2.31 -0.19 -0.39 1.01 -1.06 -3.12 121.20 117.69 1ulp s ILE 125 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1ulp s ILE 125 Cb 0.00 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1ulp s ILE 125 CO 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.44 1ulp s ALA 126 N -0.16 2.76 -0.29 9.38 0.00 -0.93 -2.80 121.76 129.72 1ulp s ALA 126 Ca -0.03 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1ulp s ALA 126 Cb -0.14 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.51 1ulp s ALA 126 CO 0.04 -0.19 -0.05 -0.06 0.00 0.00 0.00 175.76 175.50 1ulp s PHE 127 N 1.08 3.41 -0.72 0.00 0.40 0.12 -1.88 117.98 120.38 1ulp s PHE 127 Ca 0.01 -2.45 -0.21 0.00 -0.60 0.00 0.00 56.93 53.67 1ulp s PHE 127 Cb -0.15 -2.24 0.09 0.00 0.51 0.00 0.00 43.02 41.23 1ulp s PHE 127 CO -0.01 -0.89 0.97 -0.65 0.70 0.00 0.00 175.22 175.34 1ulp s GLN 128 N 1.07 3.23 -0.60 0.44 -1.52 -0.66 -0.67 119.66 120.95 1ulp s GLN 128 Ca -0.03 -1.16 -0.02 0.00 -1.95 0.00 0.00 55.36 52.20 1ulp s GLN 128 Cb -0.20 -4.42 0.36 0.00 -0.22 0.00 0.00 33.01 28.53 1ulp s GLN 128 CO -0.05 -1.76 2.08 1.28 -0.25 0.00 0.00 175.29 176.58 1ulp n LEU 129 N 7.18 7.35 -4.60 2.90 4.77 0.69 -3.03 117.00 132.26 1ulp n LEU 129 Ca 0.03 -4.13 -0.42 0.00 -0.03 0.00 0.00 56.01 51.46 1ulp n LEU 129 Cb 0.46 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1ulp n LEU 129 CO 0.59 1.47 0.48 -0.83 -1.33 0.00 0.00 177.39 177.78 1ulp s GLY 130 N -1.16 1.73 0.00 -0.72 0.00 -1.11 -2.64 107.32 103.42 1ulp s GLY 130 Ca 0.55 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1ulp s GLY 130 CO -0.08 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.24 1ulp n GLY 131 N 4.39 0.00 2.02 0.20 0.00 -0.23 -4.87 105.19 106.69 1ulp n GLY 131 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.60 -1.65 -2.42 1.61 3.72 -1.26 -4.99 117.46 114.07 1ulp n PHE 132 Ca 0.00 0.32 -0.25 0.00 -0.05 0.00 0.00 57.45 57.47 1ulp n PHE 132 Cb 0.37 0.86 0.10 0.00 -0.94 0.00 0.00 39.48 39.87 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 -4.41 4.39 0.00 4.37 0.15 -1.26 -4.59 113.70 112.35 1ulp s SER 133 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1ulp s SER 133 Cb 0.00 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1ulp s SER 133 CO 0.00 -1.84 0.00 0.00 1.20 0.00 0.00 173.24 172.60 1ulp n ALA 134 N -2.92 0.00 -1.27 5.45 0.00 -1.26 -3.73 120.51 116.78 1ulp n ALA 134 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1ulp n ALA 134 Cb 0.60 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.22 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 2.74 0.22 0.00 1.11 -1.26 0.77 116.67 119.24 1ulp s ASP 135 Ca 0.00 1.07 -0.32 0.00 0.18 0.00 0.00 52.55 53.48 1ulp s ASP 135 Cb 0.00 -1.69 -0.13 0.00 1.07 0.00 0.00 42.92 42.16 1ulp s ASP 135 CO 0.00 -3.05 1.49 0.00 1.18 0.00 0.00 175.17 174.80 1ulp n ALA 136 N -4.10 1.38 -3.03 5.23 0.00 -1.26 -3.65 120.51 115.07 1ulp n ALA 136 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ulp n ALA 136 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1ulp n ALA 136 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1ulp n TRP 137 N 2.49 0.00 -3.89 0.00 2.14 -0.85 -4.86 117.44 112.47 1ulp n TRP 137 Ca 0.13 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.60 1ulp n TRP 137 Cb 0.31 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.81 1ulp n TRP 137 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1ulp s THR 138 N -0.82 0.00 -0.12 -1.67 2.01 -1.26 -0.84 115.64 112.94 1ulp s THR 138 Ca 0.00 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 60.80 1ulp s THR 138 Cb 0.00 -2.65 0.06 0.00 0.01 0.00 0.00 72.50 69.92 1ulp s THR 138 CO 0.00 0.00 0.22 -0.76 -0.69 0.00 0.00 174.62 173.39 1ulp s LEU 139 N -3.08 -0.21 -0.39 4.42 1.02 -1.15 -3.74 118.68 115.55 1ulp s LEU 139 Ca 0.18 0.45 -0.15 0.00 0.02 0.00 0.00 54.13 54.64 1ulp s LEU 139 Cb -0.04 0.52 0.01 0.00 0.02 0.00 0.00 46.19 46.70 1ulp s LEU 139 CO 0.12 -0.25 0.29 0.00 0.02 0.00 0.00 176.35 176.54 1ulp s LEU 141 N 1.73 3.26 0.00 0.00 1.43 -0.93 -1.64 118.68 122.53 1ulp s LEU 141 Ca 0.06 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1ulp s LEU 141 Cb -0.18 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1ulp s LEU 141 CO 0.10 -0.95 0.00 -0.90 0.23 0.00 0.00 176.35 174.83 1ulp n ASP 142 N -1.86 0.00 -4.02 2.29 5.75 -1.16 -2.21 116.55 115.33 1ulp n ASP 142 Ca 0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.41 1ulp n ASP 142 Cb 0.61 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.73 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 143 N 1.19 -4.16 -4.50 -1.12 -0.08 0.76 -1.72 116.55 106.90 1ulp n ASP 143 Ca 0.00 -1.26 -0.40 0.00 -1.51 0.00 0.00 54.79 51.62 1ulp n ASP 143 Cb 0.00 -1.96 -0.11 0.00 2.34 0.00 0.00 41.12 41.40 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ulp s VAL 144 N -3.54 5.14 0.05 5.18 1.01 -1.17 -2.66 120.40 124.40 1ulp s VAL 144 Ca 0.48 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1ulp s VAL 144 Cb -0.25 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ulp s VAL 144 CO 0.96 -0.05 0.12 0.00 0.00 0.00 0.00 175.10 176.13 1ulp s ALA 145 N 1.69 -0.10 -0.22 5.51 0.00 -1.13 -0.83 121.76 126.68 1ulp s ALA 145 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.35 1ulp s ALA 145 Cb -0.18 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.33 1ulp s ALA 145 CO 0.10 -0.37 0.50 -1.17 0.00 0.00 0.00 175.76 174.82 1ulp s LEU 146 N -2.32 -0.58 0.47 0.00 2.96 -1.26 -2.77 118.68 115.18 1ulp s LEU 146 Ca -0.02 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1ulp s LEU 146 Cb 0.01 1.69 -0.01 0.00 0.50 0.00 0.00 46.19 48.37 1ulp s LEU 146 CO -0.06 -0.22 0.07 -1.81 -1.32 0.00 0.00 176.35 173.01 1ulp s ASP 147 N 2.03 3.50 -0.27 3.68 1.01 -1.26 -4.55 116.67 120.81 1ulp s ASP 147 Ca -0.07 -1.70 -0.04 0.00 0.71 0.00 0.00 52.55 51.46 1ulp s ASP 147 Cb -0.09 0.59 0.10 0.00 1.01 0.00 0.00 42.92 44.52 1ulp s ASP 147 CO -0.15 -0.93 0.15 -0.94 0.21 0.00 0.00 175.17 173.51 1ulp s SER 148 N -3.75 2.98 -0.04 0.27 1.04 -1.26 -3.34 113.70 109.59 1ulp s SER 148 Ca 0.13 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.51 1ulp s SER 148 Cb 0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1ulp s SER 148 CO 0.08 -0.41 0.00 1.21 0.98 0.00 0.00 173.24 175.10 1ulp n GLU 149 N 5.27 -0.76 -1.27 4.02 0.00 -1.26 -4.74 120.64 121.90 1ulp n GLU 149 Ca -0.06 1.07 -0.21 0.00 0.00 0.00 0.00 57.16 57.97 1ulp n GLU 149 Cb 0.44 -1.59 -0.08 0.00 0.00 0.00 0.00 31.44 30.20 1ulp n GLU 149 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1ulp n VAL 150 N 1.25 3.15 -2.25 6.31 3.14 -1.26 -4.89 118.33 123.78 1ulp n VAL 150 Ca -0.00 -2.38 0.00 0.00 -2.96 0.00 0.00 64.34 59.00 1ulp n VAL 150 Cb 0.42 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.50 1ulp n VAL 150 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1ulp n GLU 151 N 1.34 -4.73 0.00 1.45 2.13 -1.26 -5.29 120.64 114.28 1ulp n GLU 151 Ca 0.44 3.40 0.13 0.00 0.66 0.00 0.00 57.16 61.79 1ulp n GLU 151 Cb 0.66 -4.16 0.38 0.00 0.27 0.00 0.00 31.44 28.59 1ulp n GLU 151 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19