#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 -6.51 -3.20 0.00 2.88 -1.26 -4.72 113.62 100.80 1ulp n SER 2 Ca 0.00 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1ulp n SER 2 Cb 0.00 -4.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 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 -3.89 1.65 0.00 -1.46 -0.04 -1.26 -3.90 135.00 126.11 1ulp n PRO 3 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ulp n PRO 3 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.13 0.00 0.00 0.52 -5.35 -1.26 -4.90 119.36 108.24 1ulp n ILE 4 Ca 0.00 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1ulp n ILE 4 Cb 0.00 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 0.35 1.46 0.00 3.28 0.00 -1.26 -4.80 105.19 104.21 1ulp n GLY 5 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.71 0.00 -2.74 1.61 4.71 -1.26 -4.26 120.64 120.41 1ulp n GLU 6 Ca 0.00 0.19 -0.42 0.00 -0.01 0.00 0.00 57.16 56.92 1ulp n GLU 6 Cb 0.00 -0.72 -0.03 0.00 -1.01 0.00 0.00 31.44 29.68 1ulp n GLU 6 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ulp s GLY 7 N 0.00 2.60 0.32 0.62 0.00 -1.26 -3.53 107.32 106.06 1ulp s GLY 7 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 44.72 45.20 1ulp s GLY 7 CO 0.00 1.74 0.25 -0.51 0.00 0.00 0.00 173.10 174.58 1ulp s THR 8 N 1.49 3.65 0.00 0.90 -4.23 -1.26 -4.43 115.64 111.75 1ulp s THR 8 Ca 0.48 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1ulp s THR 8 Cb -0.19 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1ulp s THR 8 CO 0.22 -0.22 0.00 0.49 -0.54 0.00 0.00 174.62 174.57 1ulp n PHE 9 N -1.29 0.00 -0.84 3.99 3.72 -1.23 -2.95 117.46 118.85 1ulp n PHE 9 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 1ulp n PHE 9 Cb 0.60 -1.40 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 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 -0.69 6.05 0.00 4.37 5.75 -1.24 -1.86 116.55 128.93 1ulp n ASP 10 Ca 0.00 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 1ulp n ASP 10 Cb 0.35 -1.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 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 0.89 0.00 0.00 -1.12 2.03 -1.26 -5.01 116.55 112.09 1ulp n ASP 11 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1ulp n ASP 11 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 1.27 3.58 0.27 0.00 -1.26 -4.95 105.19 104.09 1ulp n GLY 12 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1ulp n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 13 N -2.00 2.70 0.02 1.61 0.04 -1.26 -3.53 135.00 132.57 1ulp s PRO 13 Ca 0.00 -1.16 -0.03 0.00 0.04 0.00 0.00 61.00 59.85 1ulp s PRO 13 Cb 0.00 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.27 1ulp s PRO 13 CO 0.00 -3.68 0.63 -1.91 0.04 0.00 0.00 177.00 172.08 1ulp n GLU 14 N 8.37 -0.05 -0.20 4.56 4.07 -1.26 -4.12 120.64 132.02 1ulp n GLU 14 Ca 0.44 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 58.17 1ulp n GLU 14 Cb 0.47 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.92 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ulp n GLY 15 N -1.03 0.03 3.60 8.31 0.00 -1.26 -5.07 105.19 109.77 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 -0.98 0.00 0.00 0.00 173.32 172.34 1ulp s TRP 16 N 0.00 2.63 -0.23 1.61 0.52 -1.26 -4.64 118.94 117.57 1ulp s TRP 16 Ca 0.00 0.70 -0.10 0.00 0.02 0.00 0.00 56.10 56.72 1ulp s TRP 16 Cb 0.00 -4.38 -0.05 0.00 -1.15 0.00 0.00 33.47 27.89 1ulp s TRP 16 CO 0.00 -1.59 0.14 0.14 0.02 0.00 0.00 176.95 175.67 1ulp s VAL 17 N 4.89 5.26 -0.27 4.03 -7.23 -0.63 -4.91 120.40 121.55 1ulp s VAL 17 Ca 0.54 0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.77 1ulp s VAL 17 Cb -0.10 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1ulp s VAL 17 CO 0.32 0.36 0.12 0.00 -0.31 0.00 0.00 175.10 175.59 1ulp s ALA 18 N 0.96 3.28 0.07 1.32 0.00 -1.26 -1.30 121.76 124.83 1ulp s ALA 18 Ca 0.07 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1ulp s ALA 18 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1ulp s ALA 18 CO 0.03 -0.57 -0.09 1.52 0.00 0.00 0.00 175.76 176.65 1ulp s TYR 19 N 1.66 2.78 0.00 0.00 -0.85 -0.83 -4.35 117.35 115.75 1ulp s TYR 19 Ca 0.06 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1ulp s TYR 19 Cb -0.16 -1.49 0.00 0.00 0.38 0.00 0.00 41.96 40.70 1ulp s TYR 19 CO 0.06 0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.90 1ulp n GLY 20 N 0.98 1.40 0.00 5.49 0.00 -1.26 -1.42 105.19 110.38 1ulp n GLY 20 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.98 0.00 -3.07 2.61 -2.24 -1.26 -4.53 114.28 104.81 1ulp n THR 21 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1ulp n THR 21 Cb 0.08 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.51 6.46 0.16 3.42 2.15 -1.23 -4.95 116.67 124.19 1ulp s ASP 22 Ca 0.00 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.19 1ulp s ASP 22 Cb 0.00 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1ulp s ASP 22 CO 0.00 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 1ulp n GLY 23 N 4.62 0.71 3.80 2.66 0.00 -1.26 -4.56 105.19 111.16 1ulp n GLY 23 Ca -0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1ulp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 24 N 0.00 2.97 1.18 1.61 0.04 -1.26 -4.91 135.00 134.63 1ulp s PRO 24 Ca 0.00 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 1ulp s PRO 24 Cb 0.00 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.82 1ulp s PRO 24 CO 0.00 -1.08 0.59 1.47 0.04 0.00 0.00 177.00 178.02 1ulp n LEU 25 N -2.67 -0.84 -3.71 -3.56 -0.00 -1.26 -4.97 117.00 99.99 1ulp n LEU 25 Ca 0.09 -0.60 -0.14 0.00 -0.00 0.00 0.00 56.01 55.36 1ulp n LEU 25 Cb 0.53 -0.85 -0.09 0.00 -0.00 0.00 0.00 43.42 43.01 1ulp n LEU 25 CO 0.51 -3.81 0.13 -1.81 -0.00 0.00 0.00 177.39 172.41 1ulp s ASP 26 N -2.43 -0.44 0.00 1.45 1.11 -1.11 -5.05 116.67 110.21 1ulp s ASP 26 Ca 0.47 0.76 0.00 0.00 0.18 0.00 0.00 52.55 53.96 1ulp s ASP 26 Cb -0.08 0.80 0.00 0.00 1.07 0.00 0.00 42.92 44.70 1ulp s ASP 26 CO 0.39 -0.24 0.00 0.35 1.18 0.00 0.00 175.17 176.86 1ulp n THR 27 N 2.45 0.00 -2.12 -1.27 -2.24 -1.26 -1.38 114.28 108.45 1ulp n THR 27 Ca -0.15 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ulp n THR 27 Cb 0.57 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1ulp n THR 27 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ulp n SER 28 N -1.01 -0.86 -0.20 3.42 3.41 -1.26 -4.51 113.62 112.61 1ulp n SER 28 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1ulp n SER 28 Cb 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ulp n THR 29 N -2.15 0.00 -0.98 6.66 5.66 -1.26 -4.97 114.28 117.24 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 0.38 0.45 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.47 3.26 1.09 0.00 -1.26 -4.97 105.19 103.78 1ulp n GLY 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.10 -0.82 -0.36 4.61 0.00 -0.78 -3.71 121.76 118.59 1ulp s ALA 31 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1ulp s ALA 31 Cb 0.00 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1ulp s ALA 31 CO 0.00 -0.31 1.10 -1.17 0.00 0.00 0.00 175.76 175.38 1ulp s LEU 32 N -1.53 3.84 -0.19 0.00 2.96 -0.90 -4.39 118.68 118.47 1ulp s LEU 32 Ca -0.11 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1ulp s LEU 32 Cb -0.04 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1ulp s LEU 32 CO 0.02 -1.00 -0.17 0.00 -1.32 0.00 0.00 176.35 173.89 1ulp s VAL 34 N 1.30 5.44 -0.94 0.00 -7.23 -1.01 -2.74 120.40 115.22 1ulp s VAL 34 Ca 0.03 0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.26 1ulp s VAL 34 Cb -0.14 -3.45 0.13 0.00 0.56 0.00 0.00 36.38 33.48 1ulp s VAL 34 CO -0.11 0.53 1.14 0.00 -0.31 0.00 0.00 175.10 176.35 1ulp s ALA 35 N -0.38 3.38 0.20 1.32 0.00 -1.26 -2.73 121.76 122.29 1ulp s ALA 35 Ca 0.13 -2.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.00 1ulp s ALA 35 Cb -0.12 -4.05 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1ulp s ALA 35 CO 0.02 -2.98 1.30 0.08 0.00 0.00 0.00 175.76 174.18 1ulp s VAL 36 N 2.66 3.24 0.52 0.00 1.01 -0.50 -3.51 120.40 123.82 1ulp s VAL 36 Ca 0.33 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 1ulp s VAL 36 Cb -0.05 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1ulp s VAL 36 CO -0.09 0.15 1.02 -2.16 0.00 0.00 0.00 175.10 174.02 1ulp s PRO 37 N -0.15 3.72 0.06 2.72 0.04 -1.26 -2.59 135.00 137.54 1ulp s PRO 37 Ca 0.56 1.17 -0.37 0.00 0.04 0.00 0.00 61.00 62.39 1ulp s PRO 37 Cb -0.36 -2.09 -0.18 0.00 0.04 0.00 0.00 34.50 31.90 1ulp s PRO 37 CO 0.38 -0.47 1.15 0.00 0.04 0.00 0.00 177.00 178.10 1ulp n ALA 38 N -1.46 -2.33 -3.39 8.56 0.00 -1.26 -2.34 120.51 118.28 1ulp n ALA 38 Ca 0.08 0.55 -0.29 0.00 0.00 0.00 0.00 53.44 53.78 1ulp n ALA 38 Cb 0.53 -1.90 0.03 0.00 0.00 0.00 0.00 19.45 18.11 1ulp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulp n GLY 39 N 1.96 -0.40 1.63 0.00 0.00 -0.33 -4.73 105.19 103.32 1ulp n GLY 39 Ca 0.19 1.08 -0.05 0.00 0.00 0.00 0.00 46.02 47.24 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ulp n SER 40 N -0.61 5.67 -1.29 1.61 3.41 -0.99 -4.08 113.62 117.35 1ulp n SER 40 Ca -0.07 -2.60 -0.01 0.00 -0.26 0.00 0.00 58.87 55.92 1ulp n SER 40 Cb 0.63 -1.12 0.24 0.00 -0.26 0.00 0.00 64.21 63.70 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 41 N 1.20 3.96 1.81 7.33 0.00 -1.26 -0.03 120.51 133.52 1ulp n ALA 41 Ca 0.10 -2.68 0.11 0.00 0.00 0.00 0.00 53.44 50.97 1ulp n ALA 41 Cb 0.53 -0.87 0.63 0.00 0.00 0.00 0.00 19.45 19.74 1ulp n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n GLN 42 N -0.73 0.91 0.00 0.00 10.64 -1.26 -4.48 117.38 122.45 1ulp n GLN 42 Ca 0.32 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1ulp n GLN 42 Cb 1.09 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 29.11 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1ulp n TYR 43 N -0.86 0.00 0.00 2.61 4.11 -1.26 -5.11 117.16 116.65 1ulp n TYR 43 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.06 1ulp n TYR 43 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.41 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ulp n GLY 44 N 0.00 2.54 3.98 -7.48 0.00 -1.25 -5.05 105.19 97.93 1ulp n GLY 44 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 2.13 0.00 1.61 1.01 -1.08 -4.80 120.40 119.27 1ulp s VAL 45 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ulp s VAL 45 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 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 3.88 3.97 4.51 0.00 -0.51 -0.15 105.19 113.91 1ulp n GLY 46 Ca 0.15 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.01 4.71 0.10 1.61 1.01 0.14 -1.97 120.40 124.98 1ulp s VAL 47 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 1ulp s VAL 47 Cb 0.00 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1ulp s VAL 47 CO 0.00 -0.26 0.53 0.68 0.00 0.00 0.00 175.10 176.05 1ulp s VAL 48 N -2.07 0.03 -0.19 2.92 -7.23 -0.42 -1.16 120.40 112.28 1ulp s VAL 48 Ca 0.38 -0.22 -0.07 0.00 -1.81 0.00 0.00 61.98 60.27 1ulp s VAL 48 Cb -0.09 -1.03 0.09 0.00 0.56 0.00 0.00 36.38 35.91 1ulp s VAL 48 CO 0.29 -0.12 0.39 -0.22 -0.31 0.00 0.00 175.10 175.14 1ulp s LEU 49 N -2.40 -0.58 0.28 1.32 2.96 -1.17 -1.60 118.68 117.49 1ulp s LEU 49 Ca -0.01 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1ulp s LEU 49 Cb -0.00 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.90 1ulp s LEU 49 CO -0.08 -0.23 0.46 0.54 -1.32 0.00 0.00 176.35 175.72 1ulp s ASN 50 N 2.55 6.33 0.00 3.68 2.20 -1.26 -1.37 114.94 127.07 1ulp s ASN 50 Ca -0.01 0.36 0.00 0.00 -0.94 0.00 0.00 52.86 52.27 1ulp s ASN 50 Cb -0.12 -1.99 0.00 0.00 -2.00 0.00 0.00 41.25 37.14 1ulp s ASN 50 CO -0.12 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.48 1ulp n GLY 51 N -1.35 0.75 3.25 0.45 0.00 -0.04 -4.95 105.19 103.29 1ulp n GLY 51 Ca -0.06 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.33 0.10 -0.28 1.61 1.01 -0.26 -4.35 120.40 117.91 1ulp s VAL 52 Ca 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.94 1ulp s VAL 52 Cb 0.00 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.96 1ulp s VAL 52 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 175.10 175.22 1ulp s ALA 53 N -3.90 0.65 0.38 5.51 0.00 -1.26 -4.33 121.76 118.81 1ulp s ALA 53 Ca 0.39 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1ulp s ALA 53 Cb 0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1ulp s ALA 53 CO 0.16 -1.59 0.06 0.42 0.00 0.00 0.00 175.76 174.81 1ulp s ILE 54 N 2.08 1.15 -0.29 0.00 -1.09 -0.68 -4.86 121.20 117.52 1ulp s ILE 54 Ca 0.08 -2.00 -0.15 0.00 -2.23 0.00 0.00 60.65 56.35 1ulp s ILE 54 Cb -0.16 -2.63 0.12 0.00 -1.58 0.00 0.00 42.46 38.21 1ulp s ILE 54 CO -0.33 0.00 0.83 -1.61 -1.23 0.00 0.00 174.94 172.60 1ulp s GLU 55 N -3.82 0.53 0.00 2.79 2.02 -1.25 -1.96 118.70 117.02 1ulp s GLU 55 Ca 0.29 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1ulp s GLU 55 Cb 0.06 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1ulp s GLU 55 CO 0.14 -0.12 0.00 -0.85 0.02 0.00 0.00 175.26 174.45 1ulp n GLU 56 N 4.18 0.00 -2.56 1.61 0.28 0.42 -2.73 120.64 121.84 1ulp n GLU 56 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 1ulp n GLU 56 Cb 0.57 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 3.82 3.99 -1.84 0.00 -1.22 -2.52 105.19 107.43 1ulp n GLY 57 Ca 0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 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 1.76 2.56 0.31 2.61 2.01 -0.99 -4.81 115.64 119.08 1ulp s THR 58 Ca 0.44 -1.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1ulp s THR 58 Cb 0.04 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.85 1ulp s THR 58 CO 0.00 0.00 0.62 -0.89 -0.69 0.00 0.00 174.62 173.66 1ulp s THR 59 N -2.51 4.92 -0.29 -0.82 2.01 -1.26 0.51 115.64 118.19 1ulp s THR 59 Ca 0.55 0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 1ulp s THR 59 Cb -0.07 -3.70 0.11 0.00 0.01 0.00 0.00 72.50 68.86 1ulp s THR 59 CO 0.34 -0.30 0.66 -0.31 -0.69 0.00 0.00 174.62 174.31 1ulp s TYR 60 N -2.09 -1.26 -0.34 4.92 2.02 0.14 -3.79 117.35 116.95 1ulp s TYR 60 Ca 0.47 2.27 -0.21 0.00 -0.37 0.00 0.00 57.07 59.24 1ulp s TYR 60 Cb -0.11 0.75 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 1ulp s TYR 60 CO 0.27 -0.63 0.67 0.99 -1.57 0.00 0.00 175.55 175.29 1ulp s THR 61 N 2.51 4.87 -0.15 -0.71 2.01 -1.10 -1.36 115.64 121.70 1ulp s THR 61 Ca -0.07 0.73 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 1ulp s THR 61 Cb -0.10 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1ulp s THR 61 CO -0.19 -0.29 0.60 -0.22 -0.69 0.00 0.00 174.62 173.82 1ulp s LEU 62 N 2.77 4.21 -0.03 4.42 2.96 -0.72 -4.25 118.68 128.05 1ulp s LEU 62 Ca 0.26 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1ulp s LEU 62 Cb -0.14 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.68 1ulp s LEU 62 CO 0.14 -0.17 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.30 1ulp s ARG 63 N 1.38 1.07 -0.29 1.98 3.52 -1.16 -2.83 118.95 122.61 1ulp s ARG 63 Ca 0.29 -0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 55.26 1ulp s ARG 63 Cb -0.16 -0.99 0.19 0.00 -1.56 0.00 0.00 34.95 32.43 1ulp s ARG 63 CO 0.12 0.16 1.41 1.52 -0.81 0.00 0.00 175.30 177.69 1ulp s TYR 64 N 0.09 -0.06 -0.47 5.12 -0.85 -0.86 -1.84 117.35 118.48 1ulp s TYR 64 Ca -0.02 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.69 1ulp s TYR 64 Cb -0.08 0.49 0.12 0.00 0.38 0.00 0.00 41.96 42.87 1ulp s TYR 64 CO 0.01 -0.03 0.21 0.99 -1.52 0.00 0.00 175.55 175.20 1ulp s THR 65 N -0.30 2.60 0.23 -3.49 2.01 -1.26 0.45 115.64 115.88 1ulp s THR 65 Ca 0.08 -2.97 -0.03 0.00 0.31 0.00 0.00 61.69 59.08 1ulp s THR 65 Cb -0.04 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1ulp s THR 65 CO -0.13 -0.74 0.45 0.00 -0.69 0.00 0.00 174.62 173.51 1ulp s ALA 66 N 0.12 3.74 -0.14 7.40 0.00 -0.76 -3.40 121.76 128.72 1ulp s ALA 66 Ca 0.15 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1ulp s ALA 66 Cb -0.23 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.79 1ulp s ALA 66 CO -0.03 0.39 0.36 0.99 0.00 0.00 0.00 175.76 177.48 1ulp s THR 67 N -1.92 -0.01 -0.01 0.00 2.01 -0.73 -2.38 115.64 112.59 1ulp s THR 67 Ca 0.41 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1ulp s THR 67 Cb -0.11 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1ulp s THR 67 CO 0.29 0.02 -0.18 0.00 -0.69 0.00 0.00 174.62 174.06 1ulp s ALA 68 N 0.70 1.50 -1.63 7.40 0.00 -0.66 -0.93 121.76 128.13 1ulp s ALA 68 Ca -0.04 -0.78 0.17 0.00 0.00 0.00 0.00 51.96 51.31 1ulp s ALA 68 Cb -0.05 -0.38 0.93 0.00 0.00 0.00 0.00 23.12 23.62 1ulp s ALA 68 CO -0.05 0.37 1.49 0.43 0.00 0.00 0.00 175.76 178.00 1ulp n SER 69 N 2.63 0.00 -0.17 0.00 7.64 -1.24 -2.36 113.62 120.13 1ulp n SER 69 Ca -0.15 -0.17 0.08 0.00 1.01 0.00 0.00 58.87 59.64 1ulp n SER 69 Cb 0.54 -0.19 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 70 N -1.19 1.44 -3.93 0.44 5.66 -1.26 -4.73 114.28 110.71 1ulp n THR 70 Ca 0.10 -1.73 -0.41 0.00 -3.05 0.00 0.00 64.05 58.96 1ulp n THR 70 Cb 0.11 -0.06 0.03 0.00 -1.55 0.00 0.00 70.33 68.86 1ulp n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ulp n ASP 71 N -1.10 -4.60 -4.80 1.09 2.03 -0.99 -4.89 116.55 103.29 1ulp n ASP 71 Ca 0.12 -1.18 -0.38 0.00 0.52 0.00 0.00 54.79 53.86 1ulp n ASP 71 Cb 0.65 -2.22 -0.06 0.00 -0.72 0.00 0.00 41.12 38.77 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 -3.47 4.60 -0.56 5.18 0.11 -1.25 -4.61 120.40 120.39 1ulp s VAL 72 Ca 0.46 1.37 0.04 0.00 -2.93 0.00 0.00 61.98 60.91 1ulp s VAL 72 Cb -0.22 -3.96 0.14 0.00 -1.53 0.00 0.00 36.38 30.80 1ulp s VAL 72 CO 0.93 0.48 0.31 -0.89 -3.33 0.00 0.00 175.10 172.60 1ulp s THR 73 N -1.21 2.68 0.00 5.04 2.01 -1.26 -1.24 115.64 121.66 1ulp s THR 73 Ca 0.34 -3.53 0.00 0.00 0.31 0.00 0.00 61.69 58.81 1ulp s THR 73 Cb -0.20 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ulp s THR 73 CO 0.22 -0.85 0.00 1.33 -0.69 0.00 0.00 174.62 174.63 1ulp n VAL 74 N 2.86 0.00 -4.27 3.82 0.24 -1.26 -4.87 118.33 114.85 1ulp n VAL 74 Ca 0.08 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.11 1ulp n VAL 74 Cb 0.33 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.53 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 2.13 1.91 0.19 7.34 1.81 -1.17 -3.60 118.95 127.56 1ulp s ARG 75 Ca 0.00 -0.44 0.07 0.00 -1.72 0.00 0.00 55.73 53.65 1ulp s ARG 75 Cb 0.00 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.73 1ulp s ARG 75 CO 0.00 -0.13 -0.15 0.00 -0.68 0.00 0.00 175.30 174.35 1ulp s ALA 76 N 1.19 1.92 0.00 2.13 0.00 -0.55 -1.29 121.76 125.16 1ulp s ALA 76 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1ulp s ALA 76 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1ulp s ALA 76 CO -0.04 0.08 0.00 1.47 0.00 0.00 0.00 175.76 177.28 1ulp n LEU 77 N -0.16 0.00 0.00 0.00 -0.00 -0.94 -3.00 117.00 112.90 1ulp n LEU 77 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.76 1ulp n LEU 77 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 1ulp n LEU 77 CO 0.33 0.00 0.01 0.52 -0.00 0.00 0.00 177.39 178.25 1ulp n VAL 78 N 0.96 0.00 -1.93 1.47 0.31 -1.26 -2.36 118.33 115.52 1ulp n VAL 78 Ca 0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 64.34 62.50 1ulp n VAL 78 Cb 0.00 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1ulp n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ulp n GLY 79 N -0.52 -0.51 3.16 2.92 0.00 -1.09 -3.60 105.19 105.56 1ulp n GLY 79 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.84 0.82 -0.54 1.61 -2.07 -1.21 -2.24 119.66 114.18 1ulp s GLN 80 Ca 0.00 -1.26 -0.08 0.00 -1.82 0.00 0.00 55.36 52.20 1ulp s GLN 80 Cb 0.00 -0.28 0.14 0.00 -1.09 0.00 0.00 33.01 31.78 1ulp s GLN 80 CO 0.00 0.01 0.41 -0.80 -1.32 0.00 0.00 175.29 173.58 1ulp s ASN 81 N -2.82 5.73 0.00 12.60 -0.87 -1.06 -4.64 114.94 123.88 1ulp s ASN 81 Ca 0.09 -2.17 0.00 0.00 -1.57 0.00 0.00 52.86 49.21 1ulp s ASN 81 Cb 0.02 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 1ulp s ASN 81 CO -0.03 -0.62 0.00 0.61 -2.57 0.00 0.00 177.10 174.49 1ulp n GLY 82 N 4.54 4.81 3.74 0.66 0.00 -1.26 -2.78 105.19 114.90 1ulp n GLY 82 Ca -0.02 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 2.21 -2.00 4.61 0.00 -1.26 0.39 121.76 124.40 1ulp s ALA 83 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1ulp s ALA 83 Cb 0.00 -3.39 0.18 0.00 0.00 0.00 0.00 23.12 19.91 1ulp s ALA 83 CO 0.00 -1.72 0.99 -0.35 0.00 0.00 0.00 175.76 174.69 1ulp n PRO 84 N -2.84 0.87 -0.10 0.00 -0.04 -1.26 -4.37 135.00 127.27 1ulp n PRO 84 Ca 0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1ulp n PRO 84 Cb 0.51 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.55 -1.70 0.00 0.54 4.01 0.16 -5.03 117.16 114.59 1ulp n TYR 85 Ca 0.02 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1ulp n TYR 85 Cb 0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.34 1.70 3.98 2.72 0.00 -1.26 -4.94 105.19 107.05 1ulp n GLY 86 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 3.31 0.00 2.61 -4.23 -1.26 -3.36 115.64 112.71 1ulp s THR 87 Ca 0.00 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1ulp s THR 87 Cb 0.00 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1ulp s THR 87 CO 0.00 -0.11 0.00 1.33 -0.54 0.00 0.00 174.62 175.30 1ulp n VAL 88 N -2.04 0.00 -3.80 2.29 0.24 -1.24 -4.53 118.33 109.25 1ulp n VAL 88 Ca 0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.00 1ulp n VAL 88 Cb 0.59 -0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.17 4.37 -0.42 1.34 1.02 -1.26 -4.69 118.68 116.88 1ulp s LEU 89 Ca 0.00 0.51 0.05 0.00 0.02 0.00 0.00 54.13 54.71 1ulp s LEU 89 Cb 0.00 -2.58 0.17 0.00 0.02 0.00 0.00 46.19 43.80 1ulp s LEU 89 CO 0.00 0.28 0.49 1.51 0.02 0.00 0.00 176.35 178.64 1ulp s ASP 90 N -1.65 0.21 0.20 2.29 -4.77 -1.26 -4.00 116.67 107.69 1ulp s ASP 90 Ca 0.26 -1.77 -0.06 0.00 -3.30 0.00 0.00 52.55 47.68 1ulp s ASP 90 Cb -0.13 0.90 0.02 0.00 -1.09 0.00 0.00 42.92 42.62 1ulp s ASP 90 CO 0.15 -0.18 0.37 0.35 0.70 0.00 0.00 175.17 176.56 1ulp n THR 91 N 3.73 0.00 -5.12 2.11 -2.24 -1.16 -5.08 114.28 106.52 1ulp n THR 91 Ca 0.16 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1ulp n THR 91 Cb 0.50 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.07 2.86 -1.24 3.42 1.04 -1.26 -1.48 113.70 114.98 1ulp s SER 92 Ca 0.10 -0.51 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 1ulp s SER 92 Cb -0.02 -1.26 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 1ulp s SER 92 CO 0.07 0.15 1.82 -2.16 0.98 0.00 0.00 173.24 174.09 1ulp s PRO 93 N 0.35 3.31 0.27 4.02 0.04 -1.24 -4.87 135.00 136.89 1ulp s PRO 93 Ca -0.17 -1.59 -0.30 0.00 0.04 0.00 0.00 61.00 58.98 1ulp s PRO 93 Cb -0.17 -5.40 -0.13 0.00 0.04 0.00 0.00 34.50 28.84 1ulp s PRO 93 CO 0.08 -3.02 1.46 0.00 0.04 0.00 0.00 177.00 175.55 1ulp n ALA 94 N 11.08 1.63 -2.60 8.56 0.00 -1.26 -4.15 120.51 133.76 1ulp n ALA 94 Ca 0.47 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 54.02 1ulp n ALA 94 Cb 0.46 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.27 2.21 0.00 0.00 1.43 -0.37 -4.95 118.68 116.73 1ulp s LEU 95 Ca 0.65 -1.60 -0.19 0.00 -1.03 0.00 0.00 54.13 51.96 1ulp s LEU 95 Cb -0.59 -0.45 0.07 0.00 0.03 0.00 0.00 46.19 45.26 1ulp s LEU 95 CO 0.51 -0.81 0.92 1.07 0.23 0.00 0.00 176.35 178.27 1ulp n THR 96 N -1.01 0.00 0.20 5.49 5.66 -1.24 -3.92 114.28 119.46 1ulp n THR 96 Ca -0.10 -0.54 0.03 0.00 -3.05 0.00 0.00 64.05 60.39 1ulp n THR 96 Cb 0.66 0.72 0.40 0.00 -1.55 0.00 0.00 70.33 70.56 1ulp n THR 96 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ulp h SER 97 N 1.78 0.00 -2.48 1.09 0.87 -1.79 -1.76 113.55 111.26 1ulp h SER 97 Ca -0.25 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.85 1ulp h SER 97 Cb 1.09 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.14 1ulp h SER 97 CO 0.33 0.32 0.14 -1.61 -0.53 0.00 0.00 176.83 175.48 1ulp s GLU 98 N -4.31 1.66 0.18 2.24 2.02 -1.26 -4.85 118.70 114.37 1ulp s GLU 98 Ca -0.03 -0.96 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1ulp s GLU 98 Cb 0.15 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 1ulp s GLU 98 CO 0.72 -1.49 1.22 -1.25 0.02 0.00 0.00 175.26 174.48 1ulp s PRO 99 N -5.20 4.46 -0.47 0.39 0.04 -1.26 -4.65 135.00 128.31 1ulp s PRO 99 Ca 0.66 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.64 1ulp s PRO 99 Cb -0.06 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.36 1ulp s PRO 99 CO 0.45 -0.14 0.20 0.50 0.04 0.00 0.00 177.00 178.05 1ulp s ARG 100 N -0.09 1.84 0.57 4.56 3.52 -1.00 -5.02 118.95 123.32 1ulp s ARG 100 Ca 0.54 -2.41 -0.16 0.00 -0.13 0.00 0.00 55.73 53.58 1ulp s ARG 100 Cb -0.33 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1ulp s ARG 100 CO 0.36 -1.06 1.03 -1.14 -0.81 0.00 0.00 175.30 173.68 1ulp s GLN 101 N 0.05 3.56 -0.03 5.12 2.00 -1.26 -1.83 119.66 127.27 1ulp s GLN 101 Ca 0.15 1.08 0.02 0.00 -2.00 0.00 0.00 55.36 54.62 1ulp s GLN 101 Cb -0.24 -2.07 0.01 0.00 0.80 0.00 0.00 33.01 31.50 1ulp s GLN 101 CO -0.02 -0.60 -0.09 0.08 -0.50 0.00 0.00 175.29 174.15 1ulp s VAL 102 N -2.56 0.83 -0.20 1.34 1.01 0.17 -4.90 120.40 116.09 1ulp s VAL 102 Ca 0.61 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1ulp s VAL 102 Cb -0.13 -0.75 0.10 0.00 0.00 0.00 0.00 36.38 35.60 1ulp s VAL 102 CO 0.36 0.26 0.36 -0.89 0.00 0.00 0.00 175.10 175.19 1ulp s THR 103 N 0.31 -0.56 -0.28 3.92 2.01 -1.25 -2.60 115.64 117.20 1ulp s THR 103 Ca -0.05 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1ulp s THR 103 Cb -0.10 -0.68 0.08 0.00 0.01 0.00 0.00 72.50 71.81 1ulp s THR 103 CO 0.01 -0.01 0.69 -1.61 -0.69 0.00 0.00 174.62 173.01 1ulp s GLU 104 N 2.53 0.72 -0.54 4.92 2.02 -1.13 -4.99 118.70 122.23 1ulp s GLU 104 Ca 0.05 1.20 -0.22 0.00 0.02 0.00 0.00 54.97 56.02 1ulp s GLU 104 Cb -0.14 0.17 0.05 0.00 0.10 0.00 0.00 34.13 34.32 1ulp s GLU 104 CO -0.13 -0.14 0.80 0.99 0.02 0.00 0.00 175.26 176.80 1ulp s THR 105 N 1.49 4.60 0.16 3.63 2.01 -1.26 -1.75 115.64 124.52 1ulp s THR 105 Ca -0.09 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1ulp s THR 105 Cb -0.05 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 1ulp s THR 105 CO -0.17 -1.00 0.10 0.72 -0.69 0.00 0.00 174.62 173.58 1ulp s PHE 106 N 3.36 3.08 -0.92 4.92 -0.12 -0.46 -4.85 117.98 122.99 1ulp s PHE 106 Ca 0.23 -0.03 -0.18 0.00 -0.05 0.00 0.00 56.93 56.90 1ulp s PHE 106 Cb -0.16 -1.49 0.15 0.00 -0.63 0.00 0.00 43.02 40.88 1ulp s PHE 106 CO 0.15 0.52 1.07 0.99 -0.05 0.00 0.00 175.22 177.90 1ulp s THR 107 N -1.70 4.89 -0.86 -4.49 2.01 -1.26 -0.69 115.64 113.54 1ulp s THR 107 Ca 0.30 -1.75 -0.33 0.00 0.31 0.00 0.00 61.69 60.22 1ulp s THR 107 Cb -0.10 -4.73 -0.20 0.00 0.01 0.00 0.00 72.50 67.48 1ulp s THR 107 CO 0.22 -1.43 2.58 0.00 -0.69 0.00 0.00 174.62 175.30 1ulp n ALA 108 N 6.09 0.34 -1.51 7.40 0.00 0.18 -4.57 120.51 128.44 1ulp n ALA 108 Ca 0.23 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 1ulp n ALA 108 Cb 0.49 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 10.47 7.28 0.00 0.00 3.41 -1.26 -2.36 113.62 131.16 1ulp n SER 109 Ca 0.61 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1ulp n SER 109 Cb 0.07 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 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 2.11 0.00 -3.19 7.33 0.00 -1.05 -4.72 120.51 120.99 1ulp n ALA 110 Ca 0.59 0.00 0.04 0.00 0.00 0.00 0.00 53.44 54.07 1ulp n ALA 110 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.95 -1.00 -0.34 0.00 2.01 -1.26 0.16 115.64 113.25 1ulp s THR 111 Ca 0.00 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1ulp s THR 111 Cb 0.00 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.58 1ulp s THR 111 CO 0.00 -0.00 0.09 -0.31 -0.69 0.00 0.00 174.62 173.71 1ulp s TYR 112 N 2.86 3.37 0.00 4.92 2.02 -0.83 -4.86 117.35 124.83 1ulp s TYR 112 Ca 0.19 -1.95 0.00 0.00 -0.37 0.00 0.00 57.07 54.94 1ulp s TYR 112 Cb -0.15 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 1ulp s TYR 112 CO -0.21 -0.84 0.00 -0.35 -1.57 0.00 0.00 175.55 172.58 1ulp n PRO 113 N 4.66 1.16 -0.64 -1.71 -0.04 -1.25 -1.68 135.00 135.50 1ulp n PRO 113 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1ulp n PRO 113 Cb 0.43 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.04 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 -3.00 3.02 -3.36 0.55 0.00 -1.26 -4.37 120.51 112.09 1ulp n ALA 114 Ca 0.00 -2.83 -0.12 0.00 0.00 0.00 0.00 53.44 50.49 1ulp n ALA 114 Cb 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.36 -0.53 -1.19 0.00 2.01 -1.26 -4.62 115.64 107.69 1ulp s THR 115 Ca 0.33 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 1ulp s THR 115 Cb 0.33 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1ulp s THR 115 CO -0.06 -0.31 1.90 -0.81 -0.69 0.00 0.00 174.62 174.65 1ulp n PRO 116 N 5.34 2.21 -2.49 4.92 -0.04 -1.24 -4.47 135.00 139.23 1ulp n PRO 116 Ca -0.01 -2.65 -0.18 0.00 -0.04 0.00 0.00 63.50 60.62 1ulp n PRO 116 Cb 0.48 -3.49 0.08 0.00 -0.04 0.00 0.00 33.50 30.53 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 117 N 10.65 0.65 0.03 0.55 0.00 0.11 -4.90 120.51 127.60 1ulp n ALA 117 Ca 0.48 -1.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.05 1ulp n ALA 117 Cb 0.45 0.39 -0.08 0.00 0.00 0.00 0.00 19.45 20.20 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp h ALA 118 N -0.17 -0.81 -0.82 0.00 0.00 -2.00 -1.87 119.26 113.59 1ulp h ALA 118 Ca -0.25 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.27 1ulp h ALA 118 Cb 1.05 0.90 -0.20 0.00 0.00 0.00 0.00 17.79 19.54 1ulp h ALA 118 CO 0.32 -1.04 0.40 -0.25 0.00 0.00 0.00 179.25 178.68 1ulp n ASP 119 N -5.45 4.25 -3.66 0.00 9.92 -1.26 -4.75 116.55 115.60 1ulp n ASP 119 Ca -0.06 -3.41 -0.30 0.00 -0.53 0.00 0.00 54.79 50.49 1ulp n ASP 119 Cb 0.38 -0.77 -0.14 0.00 -0.64 0.00 0.00 41.12 39.95 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ulp s ASP 120 N -1.25 3.73 0.81 -2.24 1.01 -0.70 -4.91 116.67 113.11 1ulp s ASP 120 Ca 0.55 -1.88 -0.11 0.00 0.71 0.00 0.00 52.55 51.82 1ulp s ASP 120 Cb 0.45 -0.76 0.07 0.00 1.01 0.00 0.00 42.92 43.70 1ulp s ASP 120 CO 0.12 -0.37 1.09 -2.16 0.21 0.00 0.00 175.17 174.06 1ulp s PRO 121 N 1.34 2.01 0.00 8.23 0.04 -1.26 0.09 135.00 145.45 1ulp s PRO 121 Ca 0.13 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1ulp s PRO 121 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1ulp s PRO 121 CO -0.18 -1.69 0.00 -0.85 0.04 0.00 0.00 177.00 174.32 1ulp n GLU 122 N -3.49 3.73 -4.50 4.56 0.28 -1.12 -3.83 120.64 116.26 1ulp n GLU 122 Ca 0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.84 1ulp n GLU 122 Cb 0.56 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.26 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 -0.27 0.69 0.16 -1.84 0.00 -1.26 -2.55 107.32 102.25 1ulp s GLY 123 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 1ulp s GLY 123 CO 0.00 0.08 0.23 0.61 0.00 0.00 0.00 173.10 174.02 1ulp n GLN 124 N 3.66 0.34 -4.89 2.90 10.64 -0.95 -0.87 117.38 128.22 1ulp n GLN 124 Ca -0.22 -1.19 -0.31 0.00 -1.83 0.00 0.00 57.00 53.46 1ulp n GLN 124 Cb 0.52 1.19 -0.14 0.00 -0.86 0.00 0.00 30.24 30.95 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 -2.60 2.34 -0.21 -0.39 1.01 -0.47 -2.66 121.20 118.22 1ulp s ILE 125 Ca 0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 1ulp s ILE 125 Cb -0.01 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1ulp s ILE 125 CO 0.09 0.39 -0.10 0.00 0.00 0.00 0.00 174.94 175.32 1ulp s ALA 126 N -0.81 2.63 -0.48 9.38 0.00 -0.99 -3.03 121.76 128.45 1ulp s ALA 126 Ca 0.12 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1ulp s ALA 126 Cb -0.10 -1.51 0.13 0.00 0.00 0.00 0.00 23.12 21.64 1ulp s ALA 126 CO 0.02 -0.43 0.24 -0.06 0.00 0.00 0.00 175.76 175.53 1ulp s PHE 127 N 1.40 3.44 -0.55 0.00 0.40 -0.31 -2.21 117.98 120.16 1ulp s PHE 127 Ca 0.05 -2.92 -0.22 0.00 -0.60 0.00 0.00 56.93 53.23 1ulp s PHE 127 Cb -0.14 -2.99 0.05 0.00 0.51 0.00 0.00 43.02 40.45 1ulp s PHE 127 CO -0.07 -0.85 0.83 -0.65 0.70 0.00 0.00 175.22 175.19 1ulp s GLN 128 N 0.26 3.24 -0.85 0.44 -1.52 -0.41 0.24 119.66 121.06 1ulp s GLN 128 Ca 0.14 -0.54 -0.02 0.00 -1.95 0.00 0.00 55.36 52.99 1ulp s GLN 128 Cb -0.22 -4.09 0.35 0.00 -0.22 0.00 0.00 33.01 28.83 1ulp s GLN 128 CO -0.03 -1.43 2.02 1.28 -0.25 0.00 0.00 175.29 176.88 1ulp n LEU 129 N 7.03 7.52 -4.57 2.90 4.77 0.79 -3.03 117.00 132.41 1ulp n LEU 129 Ca -0.02 -4.85 -0.27 0.00 -0.03 0.00 0.00 56.01 50.84 1ulp n LEU 129 Cb 0.46 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1ulp n LEU 129 CO 0.60 1.77 1.43 -0.83 -1.33 0.00 0.00 177.39 179.03 1ulp s GLY 130 N -1.10 0.14 -0.70 -0.72 0.00 -1.12 -2.63 107.32 101.18 1ulp s GLY 130 Ca 0.52 -1.88 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 1ulp s GLY 130 CO -0.42 3.55 0.59 0.61 0.00 0.00 0.00 173.10 177.43 1ulp n GLY 131 N 6.23 -0.90 0.13 0.20 0.00 0.96 -4.69 105.19 107.12 1ulp n GLY 131 Ca 0.43 0.71 -0.18 0.00 0.00 0.00 0.00 46.02 46.98 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 -1.96 0.27 -2.28 1.61 3.72 -1.26 -4.70 117.46 112.87 1ulp n PHE 132 Ca -0.26 0.06 -0.15 0.00 -0.05 0.00 0.00 57.45 57.05 1ulp n PHE 132 Cb 0.66 -1.04 0.09 0.00 -0.94 0.00 0.00 39.48 38.25 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp n SER 133 N -3.29 0.67 0.00 4.37 2.88 -1.26 -4.78 113.62 112.21 1ulp n SER 133 Ca -0.42 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1ulp n SER 133 Cb 1.01 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1ulp n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp n ALA 134 N -3.07 0.00 -0.37 -1.46 0.00 -1.26 -4.65 120.51 109.70 1ulp n ALA 134 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1ulp n ALA 134 Cb 0.37 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.90 0.26 0.00 1.11 -1.26 -1.18 116.67 113.70 1ulp s ASP 135 Ca 0.00 0.94 -0.30 0.00 0.18 0.00 0.00 52.55 53.37 1ulp s ASP 135 Cb 0.00 -1.36 -0.14 0.00 1.07 0.00 0.00 42.92 42.49 1ulp s ASP 135 CO 0.00 -5.28 1.30 0.00 1.18 0.00 0.00 175.17 172.37 1ulp n ALA 136 N -5.58 0.73 -3.02 5.23 0.00 -1.26 -4.08 120.51 112.53 1ulp n ALA 136 Ca 0.11 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ulp n ALA 136 Cb 0.59 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.30 -0.29 -3.42 0.00 2.14 -1.07 -4.84 117.44 111.26 1ulp n TRP 137 Ca 0.10 -0.04 -0.12 0.00 2.07 0.00 0.00 57.50 59.51 1ulp n TRP 137 Cb 0.32 0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.80 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 -2.29 0.00 0.28 -1.67 -1.32 -1.26 -1.42 115.64 107.97 1ulp s THR 138 Ca 0.01 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1ulp s THR 138 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1ulp s THR 138 CO 0.00 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.48 1ulp s LEU 139 N -2.72 2.66 -0.29 9.08 1.02 -1.11 -3.61 118.68 123.71 1ulp s LEU 139 Ca 0.01 -1.01 0.01 0.00 0.02 0.00 0.00 54.13 53.16 1ulp s LEU 139 Cb -0.01 -1.15 0.15 0.00 0.02 0.00 0.00 46.19 45.20 1ulp s LEU 139 CO -0.13 0.02 0.37 0.00 0.02 0.00 0.00 176.35 176.63 1ulp n LEU 141 N 5.34 0.00 0.00 0.00 4.77 -0.54 -1.78 117.00 124.79 1ulp n LEU 141 Ca -0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1ulp n LEU 141 Cb 0.48 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ulp n LEU 141 CO -0.01 -0.74 0.00 -0.90 -1.33 0.00 0.00 177.39 174.41 1ulp n ASP 142 N -2.72 0.00 0.00 -1.43 5.68 -1.22 -2.12 116.55 114.74 1ulp n ASP 142 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1ulp n ASP 142 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1ulp n ASP 142 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ulp n ASP 143 N 0.00 0.00 -4.55 -1.12 8.00 -1.15 -4.53 116.55 113.20 1ulp n ASP 143 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ulp s VAL 144 N 0.00 4.77 0.06 2.53 1.01 -1.21 -2.03 120.40 125.52 1ulp s VAL 144 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1ulp s VAL 144 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1ulp s VAL 144 CO 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 175.10 174.48 1ulp s ALA 145 N 3.00 0.73 -0.18 5.51 0.00 -0.77 -4.35 121.76 125.70 1ulp s ALA 145 Ca 0.27 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 1ulp s ALA 145 Cb -0.13 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1ulp s ALA 145 CO 0.19 -0.04 0.41 -1.17 0.00 0.00 0.00 175.76 175.15 1ulp s LEU 146 N -1.88 -0.37 0.06 0.00 2.96 -1.26 -2.97 118.68 115.22 1ulp s LEU 146 Ca -0.05 0.93 -0.26 0.00 -0.22 0.00 0.00 54.13 54.52 1ulp s LEU 146 Cb -0.07 1.32 0.08 0.00 0.50 0.00 0.00 46.19 48.01 1ulp s LEU 146 CO -0.00 -0.21 0.67 -0.62 -1.32 0.00 0.00 176.35 174.86 1ulp s ASP 147 N 2.04 -0.57 0.19 3.68 2.15 -1.26 -4.92 116.67 117.98 1ulp s ASP 147 Ca -0.05 0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.20 1ulp s ASP 147 Cb -0.10 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1ulp s ASP 147 CO -0.13 -0.80 0.24 -0.24 -0.17 0.00 0.00 175.17 174.08 1ulp n SER 148 N 0.09 0.60 -4.04 -0.34 2.88 -1.25 -2.69 113.62 108.87 1ulp n SER 148 Ca -0.17 -1.44 -0.32 0.00 -1.33 0.00 0.00 58.87 55.62 1ulp n SER 148 Cb 0.62 -0.13 -0.15 0.00 -0.75 0.00 0.00 64.21 63.80 1ulp n SER 148 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 149 N -2.80 2.17 0.00 -1.46 0.41 -1.26 -4.96 118.70 110.80 1ulp s GLU 149 Ca 0.18 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 1ulp s GLU 149 Cb -0.01 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1ulp s GLU 149 CO 0.11 -0.53 0.00 1.55 -0.49 0.00 0.00 175.26 175.91 1ulp n VAL 150 N 4.52 0.00 -0.95 2.63 3.14 -1.26 -4.96 118.33 121.45 1ulp n VAL 150 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1ulp n VAL 150 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.06 3.75 0.00 1.45 1.02 -1.26 -5.28 120.64 120.25 1ulp n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ulp n GLU 151 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20