#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp s SER 2 N 0.00 5.94 -1.18 0.00 1.04 -1.26 -2.97 113.70 115.27 1ulp s SER 2 Ca 0.00 -2.92 -0.21 0.00 0.48 0.00 0.00 55.95 53.31 1ulp s SER 2 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 1ulp s SER 2 CO 0.00 -0.42 1.90 -0.81 0.98 0.00 0.00 173.24 174.89 1ulp n PRO 3 N 3.51 2.14 -1.37 4.02 -0.04 -1.26 -4.61 135.00 137.38 1ulp n PRO 3 Ca 0.12 -2.63 -0.32 0.00 -0.04 0.00 0.00 63.50 60.63 1ulp n PRO 3 Cb 0.41 -3.52 0.05 0.00 -0.04 0.00 0.00 33.50 30.40 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 6.97 3.43 0.00 0.52 -5.35 -1.26 -4.72 119.36 118.96 1ulp n ILE 4 Ca 0.47 -2.94 0.00 0.00 -0.27 0.00 0.00 62.75 60.01 1ulp n ILE 4 Cb 0.45 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 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 -0.44 2.45 2.63 3.28 0.00 -1.26 -4.53 105.19 107.33 1ulp n GLY 5 Ca 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 1ulp n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulp n GLU 6 N -2.00 -2.75 0.00 1.61 2.13 -1.26 -4.64 120.64 113.73 1ulp n GLU 6 Ca 0.00 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1ulp n GLU 6 Cb 0.00 -4.66 0.00 0.00 0.27 0.00 0.00 31.44 27.05 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 7 N -0.61 3.07 0.87 8.31 0.00 -1.25 -4.94 105.19 110.63 1ulp n GLY 7 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ulp n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 8 N 0.00 0.00 -1.53 2.61 -2.24 -1.26 -0.28 114.28 111.57 1ulp n THR 8 Ca 0.00 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 1ulp n THR 8 Cb 0.00 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.26 2.19 -0.53 4.78 3.72 -1.24 -4.66 117.46 121.47 1ulp n PHE 9 Ca -0.03 -2.18 -0.12 0.00 -0.05 0.00 0.00 57.45 55.07 1ulp n PHE 9 Cb 0.16 -1.28 0.04 0.00 -0.94 0.00 0.00 39.48 37.46 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 0.18 5.34 0.00 4.37 5.68 -1.26 -3.49 116.55 127.38 1ulp n ASP 10 Ca 0.50 -2.85 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1ulp n ASP 10 Cb 0.47 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ulp n ASP 11 N 0.34 0.00 0.00 -1.12 9.92 -1.26 -4.92 116.55 119.51 1ulp n ASP 11 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1ulp n ASP 11 Cb 0.69 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ulp n GLY 12 N 0.00 3.99 1.58 0.44 0.00 -1.26 -4.90 105.19 105.04 1ulp n GLY 12 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.15 1.15 0.00 1.61 -0.04 -1.26 -4.53 135.00 131.78 1ulp n PRO 13 Ca 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ulp n PRO 13 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.56 0.00 -0.02 0.54 4.71 -1.26 -1.26 120.64 124.91 1ulp n GLU 14 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1ulp n GLU 14 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 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 -1.12 3.69 0.62 0.00 -1.26 -5.09 105.19 102.03 1ulp n GLY 15 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 2.26 -4.34 1.61 7.02 -0.39 -4.74 117.44 118.86 1ulp n TRP 16 Ca 0.00 0.14 -0.27 0.00 -1.02 0.00 0.00 57.50 56.35 1ulp n TRP 16 Cb 0.50 -2.61 -0.10 0.00 -2.42 0.00 0.00 31.31 26.68 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 3.87 2.90 -0.00 -0.99 -7.23 -0.81 -4.88 120.40 113.25 1ulp s VAL 17 Ca 0.94 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1ulp s VAL 17 Cb -0.79 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.72 1ulp s VAL 17 CO 0.55 -0.12 -0.03 0.00 -0.31 0.00 0.00 175.10 175.19 1ulp s ALA 18 N -1.71 0.27 0.13 1.32 0.00 -1.26 -0.49 121.76 120.02 1ulp s ALA 18 Ca 0.24 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.16 1ulp s ALA 18 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1ulp s ALA 18 CO 0.13 0.06 -0.22 1.52 0.00 0.00 0.00 175.76 177.25 1ulp s TYR 19 N -0.05 1.98 0.00 0.00 -0.85 -0.71 -4.73 117.35 112.99 1ulp s TYR 19 Ca 0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1ulp s TYR 19 Cb -0.02 -1.05 0.00 0.00 0.38 0.00 0.00 41.96 41.27 1ulp s TYR 19 CO -0.00 0.29 0.00 0.41 -1.52 0.00 0.00 175.55 174.73 1ulp n GLY 20 N 0.81 1.82 0.48 5.49 0.00 -1.26 -2.96 105.19 109.56 1ulp n GLY 20 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.71 2.61 -2.24 -1.26 -5.04 114.28 104.64 1ulp n THR 21 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1ulp n THR 21 Cb 0.00 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 1ulp n THR 21 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ulp s ASP 22 N -0.44 5.37 0.00 3.42 1.47 -1.16 -4.81 116.67 120.52 1ulp s ASP 22 Ca 0.00 -0.89 0.00 0.00 1.18 0.00 0.00 52.55 52.84 1ulp s ASP 22 Cb 0.00 -1.92 0.00 0.00 -0.34 0.00 0.00 42.92 40.66 1ulp s ASP 22 CO 0.00 -0.28 0.00 0.61 0.68 0.00 0.00 175.17 176.18 1ulp n GLY 23 N 4.89 -2.81 3.67 2.12 0.00 -1.26 -4.77 105.19 107.03 1ulp n GLY 23 Ca -0.13 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 4.26 -0.14 1.61 0.04 -1.26 -4.86 135.00 134.65 1ulp s PRO 24 Ca 0.00 1.82 -0.41 0.00 0.04 0.00 0.00 61.00 62.44 1ulp s PRO 24 Cb 0.00 -3.72 -0.19 0.00 0.04 0.00 0.00 34.50 30.63 1ulp s PRO 24 CO 0.00 -0.65 1.32 1.28 0.04 0.00 0.00 177.00 178.99 1ulp n LEU 25 N 6.14 0.84 -4.65 -3.56 4.77 -1.26 -4.86 117.00 114.42 1ulp n LEU 25 Ca 0.14 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.86 1ulp n LEU 25 Cb 0.44 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1ulp n LEU 25 CO 0.57 -1.33 0.43 -1.81 -1.33 0.00 0.00 177.39 173.92 1ulp s ASP 26 N 1.22 6.69 0.00 -1.43 1.01 -0.84 -4.86 116.67 118.46 1ulp s ASP 26 Ca 0.94 0.84 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1ulp s ASP 26 Cb -1.25 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 40.31 1ulp s ASP 26 CO 0.63 -0.34 0.00 0.35 0.21 0.00 0.00 175.17 176.01 1ulp n THR 27 N 4.92 0.00 -3.57 -1.27 -2.24 -1.26 -1.68 114.28 109.19 1ulp n THR 27 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1ulp n THR 27 Cb 0.49 -0.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.73 -3.31 0.00 3.42 2.88 -1.26 -4.66 113.62 109.96 1ulp n SER 28 Ca 0.00 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1ulp n SER 28 Cb 0.00 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 58.66 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 -4.45 0.00 -2.01 2.46 5.66 -1.26 -4.98 114.28 109.70 1ulp n THR 29 Ca -0.18 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.81 1ulp n THR 29 Cb 0.63 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.88 3.21 1.09 0.00 -1.23 -4.09 105.19 105.05 1ulp n GLY 30 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.19 -0.38 4.61 0.00 -1.24 -3.59 121.76 122.34 1ulp s ALA 31 Ca 0.01 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1ulp s ALA 31 Cb 0.01 0.33 0.11 0.00 0.00 0.00 0.00 23.12 23.57 1ulp s ALA 31 CO -0.00 -0.26 0.10 -1.17 0.00 0.00 0.00 175.76 174.43 1ulp s LEU 32 N -3.11 4.76 -0.37 0.00 0.20 -0.56 -4.18 118.68 115.41 1ulp s LEU 32 Ca 0.18 -2.29 -0.15 0.00 0.69 0.00 0.00 54.13 52.56 1ulp s LEU 32 Cb 0.05 -1.66 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1ulp s LEU 32 CO -0.00 -0.37 0.35 0.00 -0.29 0.00 0.00 176.35 176.03 1ulp s VAL 34 N 1.93 4.84 -0.90 0.00 -7.23 -1.03 -1.98 120.40 116.03 1ulp s VAL 34 Ca 0.10 0.72 -0.19 0.00 -1.81 0.00 0.00 61.98 60.80 1ulp s VAL 34 Cb -0.17 -3.67 0.12 0.00 0.56 0.00 0.00 36.38 33.22 1ulp s VAL 34 CO 0.12 0.04 1.11 0.00 -0.31 0.00 0.00 175.10 176.06 1ulp s ALA 35 N -1.70 3.32 0.09 1.32 0.00 -1.26 -2.96 121.76 120.57 1ulp s ALA 35 Ca 0.45 -2.66 -0.30 0.00 0.00 0.00 0.00 51.96 49.45 1ulp s ALA 35 Cb -0.13 -4.04 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1ulp s ALA 35 CO 0.20 -2.97 0.98 0.08 0.00 0.00 0.00 175.76 174.04 1ulp s VAL 36 N 2.88 4.53 1.03 0.00 1.01 0.11 -2.98 120.40 126.99 1ulp s VAL 36 Ca 0.32 2.04 -0.12 0.00 0.00 0.00 0.00 61.98 64.21 1ulp s VAL 36 Cb -0.06 -4.30 0.21 0.00 0.00 0.00 0.00 36.38 32.23 1ulp s VAL 36 CO -0.07 0.28 1.07 -2.16 0.00 0.00 0.00 175.10 174.22 1ulp s PRO 37 N 0.20 0.13 0.02 2.72 0.04 -1.26 -2.33 135.00 134.52 1ulp s PRO 37 Ca 0.48 0.71 -0.34 0.00 0.04 0.00 0.00 61.00 61.89 1ulp s PRO 37 Cb -0.23 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 1ulp s PRO 37 CO 0.30 -2.98 1.75 0.00 0.04 0.00 0.00 177.00 176.11 1ulp n ALA 38 N -4.38 1.11 -1.89 8.56 0.00 -1.26 -1.72 120.51 120.93 1ulp n ALA 38 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ulp n ALA 38 Cb 0.56 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.98 -0.30 3.42 0.00 0.00 0.74 -2.44 105.19 110.58 1ulp n GLY 39 Ca 0.20 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 -1.26 0.00 0.00 0.00 173.32 172.06 1ulp n SER 40 N -0.51 -2.29 -4.84 1.61 2.88 -0.70 -3.90 113.62 105.88 1ulp n SER 40 Ca 0.00 -0.55 -0.35 0.00 -1.33 0.00 0.00 58.87 56.63 1ulp n SER 40 Cb 0.30 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.10 3.53 -0.55 -1.46 0.00 -1.02 0.25 121.76 119.41 1ulp s ALA 41 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ulp s ALA 41 Cb -0.05 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1ulp s ALA 41 CO 0.47 0.42 0.00 0.00 0.00 0.00 0.00 175.76 176.65 1ulp n GLN 42 N 0.74 -2.26 -3.67 0.00 10.64 -1.26 -4.85 117.38 116.71 1ulp n GLN 42 Ca -0.04 0.31 -0.09 0.00 -1.83 0.00 0.00 57.00 55.34 1ulp n GLN 42 Cb 0.52 -4.75 -0.10 0.00 -0.86 0.00 0.00 30.24 25.04 1ulp n GLN 42 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 1ulp s TYR 43 N -2.11 -0.70 -0.76 2.61 6.14 -1.25 -5.08 117.35 116.19 1ulp s TYR 43 Ca 0.00 1.41 -0.20 0.00 0.64 0.00 0.00 57.07 58.92 1ulp s TYR 43 Cb 0.00 0.28 0.11 0.00 0.42 0.00 0.00 41.96 42.77 1ulp s TYR 43 CO 0.00 -0.42 0.97 0.20 0.64 0.00 0.00 175.55 176.95 1ulp s GLY 44 N 2.05 1.72 -0.42 8.97 0.00 -1.26 -3.06 107.32 115.31 1ulp s GLY 44 Ca -0.05 -2.34 -0.24 0.00 0.00 0.00 0.00 44.72 42.09 1ulp s GLY 44 CO -0.13 1.92 0.84 0.14 0.00 0.00 0.00 173.10 175.88 1ulp s VAL 45 N 3.12 4.61 0.00 1.40 1.01 -1.15 -4.53 120.40 124.86 1ulp s VAL 45 Ca 0.24 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1ulp s VAL 45 Cb -0.13 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1ulp s VAL 45 CO 0.01 -0.64 0.04 -0.83 0.00 0.00 0.00 175.10 173.68 1ulp s GLY 46 N 2.05 0.11 -0.18 4.51 0.00 -1.16 0.17 107.32 112.83 1ulp s GLY 46 Ca 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 1ulp s GLY 46 CO 0.21 -0.35 -0.04 0.14 0.00 0.00 0.00 173.10 173.06 1ulp s VAL 47 N -1.10 3.73 0.01 1.40 1.01 0.10 -1.74 120.40 123.81 1ulp s VAL 47 Ca -0.12 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1ulp s VAL 47 Cb -0.07 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1ulp s VAL 47 CO 0.00 0.46 -0.26 0.68 0.00 0.00 0.00 175.10 175.99 1ulp s VAL 48 N 0.74 2.15 -0.39 2.92 -7.23 0.36 -1.01 120.40 117.94 1ulp s VAL 48 Ca -0.02 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1ulp s VAL 48 Cb -0.14 -1.79 0.12 0.00 0.56 0.00 0.00 36.38 35.12 1ulp s VAL 48 CO 0.02 0.46 0.16 -0.22 -0.31 0.00 0.00 175.10 175.21 1ulp s LEU 49 N -0.96 3.40 0.35 1.32 2.96 -1.15 -1.93 118.68 122.68 1ulp s LEU 49 Ca 0.11 -2.32 -0.26 0.00 -0.22 0.00 0.00 54.13 51.45 1ulp s LEU 49 Cb -0.10 -1.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1ulp s LEU 49 CO 0.01 -0.33 1.03 0.21 -1.32 0.00 0.00 176.35 175.95 1ulp s ASN 50 N 0.71 7.02 0.00 3.68 3.84 -1.26 -2.71 114.94 126.23 1ulp s ASN 50 Ca 0.14 2.02 0.00 0.00 0.21 0.00 0.00 52.86 55.23 1ulp s ASN 50 Cb -0.21 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.89 1ulp s ASN 50 CO -0.09 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.53 1ulp n GLY 51 N 0.58 0.55 3.54 1.21 0.00 -1.25 -5.01 105.19 104.81 1ulp n GLY 51 Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 2.28 -0.38 1.61 1.01 -1.12 -4.43 120.40 119.36 1ulp s VAL 52 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 61.98 59.79 1ulp s VAL 52 Cb 0.00 -2.63 0.16 0.00 0.00 0.00 0.00 36.38 33.91 1ulp s VAL 52 CO 0.00 -0.22 0.28 0.00 0.00 0.00 0.00 175.10 175.17 1ulp s ALA 53 N -2.60 1.15 0.19 5.51 0.00 -1.13 -4.16 121.76 120.72 1ulp s ALA 53 Ca 0.32 -2.16 0.08 0.00 0.00 0.00 0.00 51.96 50.20 1ulp s ALA 53 Cb 0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1ulp s ALA 53 CO 0.17 -2.04 -0.02 0.42 0.00 0.00 0.00 175.76 174.29 1ulp s ILE 54 N 0.53 3.59 -0.08 0.00 -1.09 -1.06 -4.38 121.20 118.70 1ulp s ILE 54 Ca 0.26 -1.52 -0.05 0.00 -2.23 0.00 0.00 60.65 57.11 1ulp s ILE 54 Cb -0.08 -2.81 0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1ulp s ILE 54 CO -0.10 -0.14 0.20 -1.61 -1.23 0.00 0.00 174.94 172.06 1ulp s GLU 55 N -3.00 0.17 0.00 2.79 2.02 -1.21 -0.67 118.70 118.80 1ulp s GLU 55 Ca 0.27 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1ulp s GLU 55 Cb -0.09 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1ulp s GLU 55 CO 0.18 -0.14 0.00 -0.85 0.02 0.00 0.00 175.26 174.47 1ulp n GLU 56 N 3.97 0.00 -3.05 1.61 0.28 0.30 -4.06 120.64 119.69 1ulp n GLU 56 Ca -0.23 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.35 1ulp n GLU 56 Cb 0.54 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.35 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 1.75 0.21 -1.84 0.00 -1.22 -2.34 107.32 103.88 1ulp s GLY 57 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1ulp s GLY 57 CO 0.00 1.57 0.08 -1.59 0.00 0.00 0.00 173.10 173.16 1ulp s THR 58 N 2.75 0.41 -0.65 0.90 2.01 -1.10 -4.93 115.64 115.03 1ulp s THR 58 Ca 0.28 -1.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.08 1ulp s THR 58 Cb -0.15 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 70.02 1ulp s THR 58 CO 0.12 -0.15 0.89 -0.89 -0.69 0.00 0.00 174.62 173.90 1ulp s THR 59 N -3.85 4.50 0.12 -0.82 2.01 -1.26 -1.91 115.64 114.41 1ulp s THR 59 Ca 0.34 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1ulp s THR 59 Cb 0.07 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1ulp s THR 59 CO 0.10 -1.36 0.08 -0.31 -0.69 0.00 0.00 174.62 172.44 1ulp s TYR 60 N 3.56 3.13 -0.24 4.92 2.02 -0.54 -2.95 117.35 127.25 1ulp s TYR 60 Ca 0.19 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1ulp s TYR 60 Cb -0.19 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 39.88 1ulp s TYR 60 CO 0.08 0.51 -0.05 0.99 -1.57 0.00 0.00 175.55 175.51 1ulp s THR 61 N -1.52 1.57 -0.25 -0.71 2.01 -1.24 -1.21 115.64 114.29 1ulp s THR 61 Ca 0.29 -1.26 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 1ulp s THR 61 Cb -0.11 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1ulp s THR 61 CO 0.22 -0.11 0.62 -0.22 -0.69 0.00 0.00 174.62 174.43 1ulp s LEU 62 N 1.37 4.06 -0.21 4.42 2.96 -0.91 -3.89 118.68 126.49 1ulp s LEU 62 Ca -0.06 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1ulp s LEU 62 Cb -0.19 -2.83 0.06 0.00 0.50 0.00 0.00 46.19 43.72 1ulp s LEU 62 CO -0.06 -0.36 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.99 1ulp s ARG 63 N 2.46 1.24 0.04 1.98 3.52 -1.14 -2.74 118.95 124.31 1ulp s ARG 63 Ca 0.26 -0.71 -0.05 0.00 -0.13 0.00 0.00 55.73 55.10 1ulp s ARG 63 Cb -0.16 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 1ulp s ARG 63 CO 0.09 -0.59 0.08 1.52 -0.81 0.00 0.00 175.30 175.59 1ulp s TYR 64 N 1.60 0.23 -0.38 5.12 -0.85 -0.88 -2.79 117.35 119.40 1ulp s TYR 64 Ca -0.03 -0.56 0.04 0.00 -0.52 0.00 0.00 57.07 55.99 1ulp s TYR 64 Cb -0.18 -0.16 0.11 0.00 0.38 0.00 0.00 41.96 42.11 1ulp s TYR 64 CO -0.07 -0.37 0.11 0.99 -1.52 0.00 0.00 175.55 174.69 1ulp s THR 65 N -2.76 2.40 0.10 -3.49 2.01 -1.03 -1.27 115.64 111.60 1ulp s THR 65 Ca -0.04 -2.56 -0.02 0.00 0.31 0.00 0.00 61.69 59.38 1ulp s THR 65 Cb -0.00 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1ulp s THR 65 CO -0.05 -0.65 0.29 0.00 -0.69 0.00 0.00 174.62 173.52 1ulp s ALA 66 N 0.64 3.91 -0.15 7.40 0.00 -1.04 -3.30 121.76 129.21 1ulp s ALA 66 Ca 0.12 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1ulp s ALA 66 Cb -0.21 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.00 1ulp s ALA 66 CO -0.06 0.75 0.36 0.99 0.00 0.00 0.00 175.76 177.79 1ulp s THR 67 N -1.59 -0.03 -0.11 0.00 2.01 -0.73 -2.37 115.64 112.82 1ulp s THR 67 Ca 0.38 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.51 1ulp s THR 67 Cb -0.13 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1ulp s THR 67 CO 0.27 0.04 -0.22 0.00 -0.69 0.00 0.00 174.62 174.01 1ulp s ALA 68 N 1.28 2.24 -1.08 7.40 0.00 -1.21 -2.15 121.76 128.24 1ulp s ALA 68 Ca -0.09 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1ulp s ALA 68 Cb -0.09 -0.90 0.37 0.00 0.00 0.00 0.00 23.12 22.51 1ulp s ALA 68 CO -0.11 0.22 1.25 0.45 0.00 0.00 0.00 175.76 177.57 1ulp n SER 69 N 3.64 0.00 -0.58 0.00 2.88 -1.26 -1.57 113.62 116.73 1ulp n SER 69 Ca -0.19 0.44 0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1ulp n SER 69 Cb 0.53 -0.46 0.21 0.00 -0.75 0.00 0.00 64.21 63.74 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ulp n THR 70 N -1.46 2.09 -3.59 2.46 5.66 -1.26 -4.80 114.28 113.38 1ulp n THR 70 Ca 0.02 -1.98 -0.26 0.00 -3.05 0.00 0.00 64.05 58.79 1ulp n THR 70 Cb 0.09 -0.22 0.01 0.00 -1.55 0.00 0.00 70.33 68.67 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 -0.81 -5.50 -4.61 1.09 2.03 -0.61 -4.94 116.55 103.20 1ulp n ASP 71 Ca 0.19 -0.56 -0.34 0.00 0.52 0.00 0.00 54.79 54.60 1ulp n ASP 71 Cb 0.78 -2.22 -0.11 0.00 -0.72 0.00 0.00 41.12 38.85 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 -2.51 3.85 -0.64 5.18 0.11 -1.19 -4.84 120.40 120.36 1ulp s VAL 72 Ca 0.13 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1ulp s VAL 72 Cb -0.02 -2.60 0.16 0.00 -1.53 0.00 0.00 36.38 32.39 1ulp s VAL 72 CO 0.87 0.58 0.41 -0.89 -3.33 0.00 0.00 175.10 172.74 1ulp s THR 73 N -0.85 2.81 0.00 5.04 2.01 -1.26 -0.98 115.64 122.40 1ulp s THR 73 Ca 0.13 -3.92 0.00 0.00 0.31 0.00 0.00 61.69 58.21 1ulp s THR 73 Cb -0.11 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1ulp s THR 73 CO 0.02 -0.93 0.00 1.33 -0.69 0.00 0.00 174.62 174.35 1ulp n VAL 74 N 2.40 0.00 -4.38 3.82 0.24 -1.22 -4.89 118.33 114.30 1ulp n VAL 74 Ca 0.14 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.25 1ulp n VAL 74 Cb 0.34 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.57 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 2.45 0.85 0.03 7.34 1.81 -1.10 -3.61 118.95 126.72 1ulp s ARG 75 Ca 0.00 -0.55 -0.06 0.00 -1.72 0.00 0.00 55.73 53.41 1ulp s ARG 75 Cb 0.00 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.67 1ulp s ARG 75 CO 0.00 0.21 0.10 0.00 -0.68 0.00 0.00 175.30 174.94 1ulp s ALA 76 N -0.56 -0.10 0.00 2.13 0.00 -1.10 -0.99 121.76 121.14 1ulp s ALA 76 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1ulp s ALA 76 Cb -0.06 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1ulp s ALA 76 CO 0.00 -0.31 0.00 1.47 0.00 0.00 0.00 175.76 176.92 1ulp n LEU 77 N 0.83 0.00 -3.90 0.00 -0.00 -0.89 -3.05 117.00 109.99 1ulp n LEU 77 Ca -0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.96 1ulp n LEU 77 CO 0.23 0.00 0.29 -0.69 -0.00 0.00 0.00 177.39 177.21 1ulp s VAL 78 N -1.24 0.01 0.00 1.47 1.01 -1.26 -2.75 120.40 117.63 1ulp s VAL 78 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1ulp s VAL 78 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1ulp s VAL 78 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1ulp n GLY 79 N -0.40 -0.92 0.00 4.51 0.00 -1.17 -3.48 105.19 103.72 1ulp n GLY 79 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ulp n GLN 80 N -0.33 2.16 -2.73 1.61 7.27 -0.33 -1.98 117.38 123.05 1ulp n GLN 80 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1ulp n GLN 80 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 1ulp n GLN 80 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ulp n ASN 81 N 0.00 -2.34 0.00 1.69 4.13 0.60 -4.16 115.26 115.17 1ulp n ASN 81 Ca 0.00 -3.63 0.00 0.00 1.68 0.00 0.00 54.58 52.63 1ulp n ASN 81 Cb 0.00 1.91 0.00 0.00 -1.54 0.00 0.00 39.78 40.15 1ulp n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ulp n GLY 82 N 0.43 -0.45 3.31 7.41 0.00 -1.26 -3.03 105.19 111.60 1ulp n GLY 82 Ca 0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.00 1.91 -0.17 4.61 0.00 -1.26 -2.04 121.76 123.81 1ulp s ALA 83 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1ulp s ALA 83 Cb 0.00 -0.20 0.17 0.00 0.00 0.00 0.00 23.12 23.08 1ulp s ALA 83 CO 0.00 0.28 1.70 -0.35 0.00 0.00 0.00 175.76 177.39 1ulp n PRO 84 N 0.60 1.46 -1.60 0.00 -0.04 -1.26 -4.94 135.00 129.22 1ulp n PRO 84 Ca -0.16 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1ulp n PRO 84 Cb 0.56 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.44 -4.25 -3.24 0.54 4.02 -0.87 -5.04 117.16 108.76 1ulp n TYR 85 Ca 0.19 2.30 0.04 0.00 -0.01 0.00 0.00 57.90 60.41 1ulp n TYR 85 Cb 0.68 -3.53 -0.03 0.00 -0.02 0.00 0.00 39.34 36.44 1ulp n TYR 85 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1ulp s GLY 86 N -5.19 -0.17 -0.01 2.72 0.00 -1.26 -4.95 107.32 98.47 1ulp s GLY 86 Ca 0.00 3.05 0.03 0.00 0.00 0.00 0.00 44.72 47.79 1ulp s GLY 86 CO 0.00 3.52 -0.06 -0.51 0.00 0.00 0.00 173.10 176.05 1ulp s THR 87 N 2.59 3.69 0.00 0.90 -4.23 -1.26 -1.19 115.64 116.14 1ulp s THR 87 Ca -0.01 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1ulp s THR 87 Cb -0.07 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1ulp s THR 87 CO -0.14 0.42 0.00 1.33 -0.54 0.00 0.00 174.62 175.69 1ulp n VAL 88 N 1.64 0.00 -4.44 2.29 0.24 -1.23 -4.83 118.33 112.01 1ulp n VAL 88 Ca -0.16 -0.19 -0.34 0.00 -2.04 0.00 0.00 64.34 61.61 1ulp n VAL 88 Cb 0.53 0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.96 3.39 -0.46 1.34 1.02 -1.25 -4.85 118.68 115.91 1ulp s LEU 89 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 54.13 54.24 1ulp s LEU 89 Cb 0.00 -1.78 0.18 0.00 0.02 0.00 0.00 46.19 44.61 1ulp s LEU 89 CO 0.00 0.32 0.54 1.51 0.02 0.00 0.00 176.35 178.74 1ulp s ASP 90 N -0.54 -0.11 0.35 2.29 -4.77 -1.26 -4.05 116.67 108.59 1ulp s ASP 90 Ca 0.09 -2.21 0.07 0.00 -3.30 0.00 0.00 52.55 47.19 1ulp s ASP 90 Cb -0.12 0.88 -0.03 0.00 -1.09 0.00 0.00 42.92 42.56 1ulp s ASP 90 CO 0.02 -0.12 0.25 0.42 0.70 0.00 0.00 175.17 176.44 1ulp s THR 91 N 0.64 0.12 -0.22 2.11 -4.23 -1.17 -5.08 115.64 107.80 1ulp s THR 91 Ca 0.29 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1ulp s THR 91 Cb -0.00 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.43 1ulp s THR 91 CO -0.11 0.00 -0.16 -0.44 -0.54 0.00 0.00 174.62 173.38 1ulp s SER 92 N -3.44 3.77 -0.85 3.99 0.01 -1.26 -2.73 113.70 113.19 1ulp s SER 92 Ca 0.37 -1.00 -0.25 0.00 1.31 0.00 0.00 55.95 56.38 1ulp s SER 92 Cb 0.02 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1ulp s SER 92 CO 0.25 -0.09 1.80 -2.16 0.41 0.00 0.00 173.24 173.45 1ulp s PRO 93 N 1.20 2.79 0.44 12.44 0.04 -1.24 -4.92 135.00 145.75 1ulp s PRO 93 Ca -0.02 -0.23 -0.22 0.00 0.04 0.00 0.00 61.00 60.57 1ulp s PRO 93 Cb -0.16 -4.91 -0.09 0.00 0.04 0.00 0.00 34.50 29.38 1ulp s PRO 93 CO -0.09 -2.96 1.04 0.00 0.04 0.00 0.00 177.00 175.03 1ulp s ALA 94 N 8.72 2.99 0.10 8.56 0.00 -1.26 -3.38 121.76 137.48 1ulp s ALA 94 Ca 0.63 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1ulp s ALA 94 Cb -0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1ulp s ALA 94 CO 0.03 -0.25 -0.00 -0.51 0.00 0.00 0.00 175.76 175.03 1ulp s LEU 95 N -3.04 2.20 0.00 0.00 1.43 -0.15 -4.83 118.68 114.28 1ulp s LEU 95 Ca 0.62 -1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 1ulp s LEU 95 Cb -0.19 0.18 0.08 0.00 0.03 0.00 0.00 46.19 46.29 1ulp s LEU 95 CO 0.24 -0.63 1.13 1.07 0.23 0.00 0.00 176.35 178.39 1ulp n THR 96 N -0.02 0.00 0.07 5.49 5.66 -1.22 -3.15 114.28 121.11 1ulp n THR 96 Ca -0.10 -0.25 0.18 0.00 -3.05 0.00 0.00 64.05 60.84 1ulp n THR 96 Cb 0.62 0.58 0.70 0.00 -1.55 0.00 0.00 70.33 70.69 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 1.84 0.00 -3.26 1.09 0.87 -1.87 -3.21 113.55 109.02 1ulp h SER 97 Ca -0.21 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.87 1ulp h SER 97 Cb 1.10 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.09 1ulp h SER 97 CO 0.30 0.00 0.01 -1.61 -0.53 0.00 0.00 176.83 175.00 1ulp s GLU 98 N -4.95 3.40 0.40 2.24 2.02 -1.26 -4.97 118.70 115.58 1ulp s GLU 98 Ca -0.05 -0.06 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1ulp s GLU 98 Cb 0.18 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 1ulp s GLU 98 CO 0.69 -0.17 1.11 -1.25 0.02 0.00 0.00 175.26 175.66 1ulp s PRO 99 N -4.63 4.09 -0.44 0.39 0.04 -1.26 -4.76 135.00 128.44 1ulp s PRO 99 Ca 0.46 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1ulp s PRO 99 Cb -0.10 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 31.96 1ulp s PRO 99 CO 0.42 -0.24 0.17 0.50 0.04 0.00 0.00 177.00 177.89 1ulp s ARG 100 N -2.40 1.77 -0.84 4.56 3.52 -1.00 -5.01 118.95 119.56 1ulp s ARG 100 Ca 0.58 -2.30 -0.23 0.00 -0.13 0.00 0.00 55.73 53.64 1ulp s ARG 100 Cb -0.26 -3.28 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1ulp s ARG 100 CO 0.33 -1.04 1.21 -1.14 -0.81 0.00 0.00 175.30 173.85 1ulp s GLN 101 N 0.23 3.37 -0.02 5.12 2.00 -1.26 -2.51 119.66 126.58 1ulp s GLN 101 Ca 0.14 -0.97 -0.20 0.00 -2.00 0.00 0.00 55.36 52.33 1ulp s GLN 101 Cb -0.23 -4.68 -0.05 0.00 0.80 0.00 0.00 33.01 28.85 1ulp s GLN 101 CO -0.03 -2.00 0.57 0.08 -0.50 0.00 0.00 175.29 173.41 1ulp s VAL 102 N 4.42 4.96 -0.15 1.34 1.01 -0.39 -4.94 120.40 126.65 1ulp s VAL 102 Ca 0.34 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1ulp s VAL 102 Cb -0.07 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1ulp s VAL 102 CO 0.02 0.41 0.37 -0.89 0.00 0.00 0.00 175.10 175.00 1ulp s THR 103 N -0.10 -0.03 -0.27 3.92 2.01 -1.25 -2.08 115.64 117.84 1ulp s THR 103 Ca 0.30 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.17 1ulp s THR 103 Cb -0.18 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 71.86 1ulp s THR 103 CO 0.16 0.04 0.72 -1.61 -0.69 0.00 0.00 174.62 173.24 1ulp s GLU 104 N 1.28 0.81 -1.23 4.92 2.02 -1.11 -4.99 118.70 120.41 1ulp s GLU 104 Ca -0.09 1.04 -0.12 0.00 0.02 0.00 0.00 54.97 55.82 1ulp s GLU 104 Cb -0.08 0.36 0.18 0.00 0.10 0.00 0.00 34.13 34.68 1ulp s GLU 104 CO -0.11 -0.11 1.59 -2.37 0.02 0.00 0.00 175.26 174.29 1ulp n THR 105 N 2.97 4.32 -2.40 3.63 5.66 -1.26 -2.14 114.28 125.07 1ulp n THR 105 Ca -0.15 -4.65 -0.33 0.00 -3.05 0.00 0.00 64.05 55.87 1ulp n THR 105 Cb 0.56 -2.42 -0.03 0.00 -1.55 0.00 0.00 70.33 66.89 1ulp n THR 105 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1ulp s PHE 106 N 0.96 3.23 -0.65 1.09 -0.12 -0.35 -4.69 117.98 117.46 1ulp s PHE 106 Ca 0.41 1.52 -0.19 0.00 -0.05 0.00 0.00 56.93 58.62 1ulp s PHE 106 Cb 0.02 -2.90 0.11 0.00 -0.63 0.00 0.00 43.02 39.61 1ulp s PHE 106 CO 0.00 -0.60 0.78 0.99 -0.05 0.00 0.00 175.22 176.35 1ulp s THR 107 N -2.40 4.78 -0.55 -4.49 2.01 -1.26 -1.46 115.64 112.27 1ulp s THR 107 Ca 0.62 -1.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 1ulp s THR 107 Cb -0.12 -4.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 1ulp s THR 107 CO 0.28 -1.21 2.44 0.00 -0.69 0.00 0.00 174.62 175.44 1ulp n ALA 108 N 6.43 0.71 -1.56 7.40 0.00 -0.80 -4.67 120.51 128.02 1ulp n ALA 108 Ca -0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 53.44 52.15 1ulp n ALA 108 Cb 0.44 -3.15 -0.05 0.00 0.00 0.00 0.00 19.45 16.68 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 15.77 7.20 0.00 0.00 3.41 -1.26 -2.70 113.62 136.04 1ulp n SER 109 Ca 0.40 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1ulp n SER 109 Cb 0.50 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 1.88 0.00 -3.65 7.33 0.00 -0.99 -4.81 120.51 120.26 1ulp n ALA 110 Ca 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 1ulp n ALA 110 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.27 -0.66 -0.71 0.00 2.01 -1.26 0.11 115.64 113.86 1ulp s THR 111 Ca 0.00 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1ulp s THR 111 Cb 0.00 -0.88 0.18 0.00 0.01 0.00 0.00 72.50 71.81 1ulp s THR 111 CO 0.00 0.02 0.54 -0.31 -0.69 0.00 0.00 174.62 174.19 1ulp s TYR 112 N 2.49 3.55 0.85 4.92 2.02 0.16 -4.66 117.35 126.69 1ulp s TYR 112 Ca -0.06 -2.88 -0.11 0.00 -0.37 0.00 0.00 57.07 53.65 1ulp s TYR 112 Cb -0.11 -3.16 0.10 0.00 -0.40 0.00 0.00 41.96 38.40 1ulp s TYR 112 CO -0.17 -0.78 1.09 -1.25 -1.57 0.00 0.00 175.55 172.87 1ulp s PRO 113 N -0.58 1.60 -0.98 -1.71 0.04 -1.26 -2.57 135.00 129.54 1ulp s PRO 113 Ca 0.21 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1ulp s PRO 113 Cb -0.15 -1.84 0.32 0.00 0.04 0.00 0.00 34.50 32.86 1ulp s PRO 113 CO -0.07 -2.02 1.60 0.00 0.04 0.00 0.00 177.00 176.55 1ulp n ALA 114 N -3.74 5.61 -3.59 8.56 0.00 -1.26 -3.12 120.51 122.98 1ulp n ALA 114 Ca 0.07 -4.68 -0.29 0.00 0.00 0.00 0.00 53.44 48.54 1ulp n ALA 114 Cb 0.55 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.86 0.88 -0.90 0.00 2.01 -1.26 -5.06 115.64 107.45 1ulp s THR 115 Ca 0.38 -2.34 -0.24 0.00 0.31 0.00 0.00 61.69 59.79 1ulp s THR 115 Cb 0.16 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1ulp s THR 115 CO -0.06 -0.98 1.74 -2.16 -0.69 0.00 0.00 174.62 172.46 1ulp s PRO 116 N 0.49 2.94 0.18 4.92 0.04 -1.26 -3.94 135.00 138.36 1ulp s PRO 116 Ca 0.20 -0.47 -0.11 0.00 0.04 0.00 0.00 61.00 60.65 1ulp s PRO 116 Cb -0.19 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1ulp s PRO 116 CO -0.03 -2.86 0.36 0.00 0.04 0.00 0.00 177.00 174.51 1ulp s ALA 117 N 8.05 -0.27 0.02 8.56 0.00 0.14 -5.02 121.76 133.24 1ulp s ALA 117 Ca 0.60 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 1ulp s ALA 117 Cb -0.05 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.83 1ulp s ALA 117 CO -0.01 -0.70 1.08 0.00 0.00 0.00 0.00 175.76 176.14 1ulp h ALA 118 N 2.44 -0.99 -0.06 0.00 0.00 -1.98 -3.22 119.26 115.45 1ulp h ALA 118 Ca -0.31 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1ulp h ALA 118 Cb 1.24 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ulp h ALA 118 CO 0.45 -0.94 -0.43 0.22 0.00 0.00 0.00 179.25 178.54 1ulp h ASP 119 N -0.74 0.15 -3.65 0.00 3.58 -1.98 -3.37 116.42 110.41 1ulp h ASP 119 Ca -0.07 -0.06 -0.73 0.00 0.42 0.00 0.00 57.03 56.59 1ulp h ASP 119 Cb 0.49 -0.04 -0.31 0.00 1.72 0.00 0.00 39.33 41.19 1ulp h ASP 119 CO 0.11 0.57 -0.29 -1.81 -2.88 0.00 0.00 179.24 174.94 1ulp s ASP 120 N -6.89 5.77 0.44 2.28 1.11 -1.22 -4.99 116.67 113.18 1ulp s ASP 120 Ca -0.04 -2.34 0.00 0.00 0.18 0.00 0.00 52.55 50.35 1ulp s ASP 120 Cb 0.14 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 42.12 1ulp s ASP 120 CO 0.76 -0.57 0.00 -0.81 1.18 0.00 0.00 175.17 175.72 1ulp n PRO 121 N 4.31 0.33 0.00 8.23 -0.04 -1.23 -0.68 135.00 145.91 1ulp n PRO 121 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ulp n PRO 121 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1ulp n PRO 121 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ulp n GLU 122 N -0.56 0.00 -3.77 0.54 0.28 -1.17 -4.16 120.64 111.81 1ulp n GLU 122 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1ulp n GLU 122 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 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 0.00 -0.22 0.00 -1.84 0.00 -1.18 0.22 107.32 104.30 1ulp s GLY 123 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1ulp s GLY 123 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1ulp n GLN 124 N 2.79 0.00 -4.36 2.90 10.64 -0.84 -2.80 117.38 125.72 1ulp n GLN 124 Ca -0.14 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.75 1ulp n GLN 124 Cb 0.58 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.84 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 -0.02 2.56 -0.09 -0.39 1.01 -1.10 -3.06 121.20 120.12 1ulp s ILE 125 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 60.65 58.95 1ulp s ILE 125 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1ulp s ILE 125 CO 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 174.94 174.90 1ulp s ALA 126 N -1.23 1.20 -0.30 9.38 0.00 -1.11 -2.92 121.76 126.77 1ulp s ALA 126 Ca 0.17 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1ulp s ALA 126 Cb -0.10 -0.74 0.08 0.00 0.00 0.00 0.00 23.12 22.36 1ulp s ALA 126 CO 0.09 -0.21 -0.02 -0.06 0.00 0.00 0.00 175.76 175.56 1ulp s PHE 127 N 1.31 3.45 -0.11 0.00 0.40 -0.18 -2.09 117.98 120.77 1ulp s PHE 127 Ca -0.03 -2.48 -0.20 0.00 -0.60 0.00 0.00 56.93 53.62 1ulp s PHE 127 Cb -0.14 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1ulp s PHE 127 CO -0.03 -0.90 0.58 -0.65 0.70 0.00 0.00 175.22 174.92 1ulp s GLN 128 N 1.06 4.36 -0.13 0.44 -0.21 -0.16 -0.72 119.66 124.30 1ulp s GLN 128 Ca -0.01 0.63 0.21 0.00 0.02 0.00 0.00 55.36 56.21 1ulp s GLN 128 Cb -0.20 -3.46 0.42 0.00 1.00 0.00 0.00 33.01 30.77 1ulp s GLN 128 CO -0.05 0.07 1.16 1.28 -2.12 0.00 0.00 175.29 175.64 1ulp n LEU 129 N 3.88 0.81 -4.67 2.90 4.77 0.44 -2.72 117.00 122.40 1ulp n LEU 129 Ca -0.04 -2.51 -0.42 0.00 -0.03 0.00 0.00 56.01 53.02 1ulp n LEU 129 Cb 0.51 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1ulp n LEU 129 CO 0.45 0.91 0.64 -0.83 -1.33 0.00 0.00 177.39 177.23 1ulp s GLY 130 N -2.53 2.11 -1.05 -0.72 0.00 -1.16 -2.94 107.32 101.03 1ulp s GLY 130 Ca 0.26 0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 1ulp s GLY 130 CO -0.10 1.71 0.70 0.61 0.00 0.00 0.00 173.10 176.02 1ulp n GLY 131 N 3.42 -1.05 0.83 0.20 0.00 0.14 -4.86 105.19 103.87 1ulp n GLY 131 Ca 0.05 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.90 0.00 -0.90 1.61 3.01 -1.25 -4.97 117.46 111.06 1ulp n PHE 132 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1ulp n PHE 132 Cb 0.60 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ulp n SER 133 N -3.49 0.00 0.03 4.37 2.88 -1.26 -4.99 113.62 111.16 1ulp n SER 133 Ca -0.03 -0.12 -0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ulp n SER 133 Cb 0.09 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -3.00 2.98 -2.08 -1.46 0.00 -1.26 -3.97 120.51 111.71 1ulp n ALA 134 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1ulp n ALA 134 Cb 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 -5.70 6.71 0.02 0.00 1.01 -1.26 0.26 116.67 117.71 1ulp s ASP 135 Ca -0.00 1.32 -0.37 0.00 0.71 0.00 0.00 52.55 54.21 1ulp s ASP 135 Cb 0.00 -2.40 -0.16 0.00 1.01 0.00 0.00 42.92 41.37 1ulp s ASP 135 CO 0.00 -0.32 1.44 0.00 0.21 0.00 0.00 175.17 176.51 1ulp n ALA 136 N -0.77 -0.69 -3.44 5.23 0.00 -1.26 -3.64 120.51 115.95 1ulp n ALA 136 Ca 0.04 0.49 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 1ulp n ALA 136 Cb 0.54 -2.12 -0.03 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 3.19 -0.24 -4.04 0.00 2.14 -0.98 -4.88 117.44 112.63 1ulp n TRP 137 Ca 0.20 -0.91 -0.13 0.00 2.07 0.00 0.00 57.50 58.73 1ulp n TRP 137 Cb 0.18 0.09 -0.04 0.00 -0.81 0.00 0.00 31.31 30.74 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 -2.42 0.00 -0.07 -1.67 2.01 -1.26 -0.71 115.64 111.52 1ulp s THR 138 Ca 0.13 -1.49 -0.02 0.00 0.31 0.00 0.00 61.69 60.61 1ulp s THR 138 Cb 0.01 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.97 1ulp s THR 138 CO 0.09 0.00 0.05 -0.76 -0.69 0.00 0.00 174.62 173.31 1ulp s LEU 139 N -3.17 0.29 -0.32 4.42 1.02 -1.16 -4.37 118.68 115.39 1ulp s LEU 139 Ca 0.27 -0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.21 1ulp s LEU 139 Cb -0.01 -0.23 -0.02 0.00 0.02 0.00 0.00 46.19 45.95 1ulp s LEU 139 CO 0.17 -0.26 0.20 0.00 0.02 0.00 0.00 176.35 176.48 1ulp s LEU 141 N 1.69 2.65 0.00 0.00 1.43 -1.00 -1.77 118.68 121.69 1ulp s LEU 141 Ca 0.06 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1ulp s LEU 141 Cb -0.17 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1ulp s LEU 141 CO 0.09 -1.11 0.00 -0.90 0.23 0.00 0.00 176.35 174.66 1ulp n ASP 142 N -1.75 0.00 -4.06 2.29 5.75 -1.21 -1.50 116.55 116.07 1ulp n ASP 142 Ca -0.03 0.00 -0.45 0.00 -0.01 0.00 0.00 54.79 54.30 1ulp n ASP 142 Cb 0.64 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.00 -3.91 -4.49 -1.12 2.03 -1.14 -2.46 116.55 105.46 1ulp n ASP 143 Ca 0.00 -1.28 -0.41 0.00 0.52 0.00 0.00 54.79 53.62 1ulp n ASP 143 Cb 0.00 -1.81 -0.10 0.00 -0.72 0.00 0.00 41.12 38.49 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 -3.58 5.19 0.08 5.18 1.01 0.61 -3.77 120.40 125.13 1ulp s VAL 144 Ca 0.46 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1ulp s VAL 144 Cb -0.25 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ulp s VAL 144 CO 0.97 -0.12 -0.06 0.00 0.00 0.00 0.00 175.10 175.89 1ulp s ALA 145 N 1.69 0.81 -0.30 5.51 0.00 -1.12 -3.92 121.76 124.43 1ulp s ALA 145 Ca 0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 1ulp s ALA 145 Cb -0.18 0.18 0.15 0.00 0.00 0.00 0.00 23.12 23.27 1ulp s ALA 145 CO 0.10 -0.25 0.90 -1.17 0.00 0.00 0.00 175.76 175.35 1ulp s LEU 146 N -2.84 -0.70 0.00 0.00 2.96 -1.25 -2.89 118.68 113.95 1ulp s LEU 146 Ca 0.08 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1ulp s LEU 146 Cb 0.04 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.57 1ulp s LEU 146 CO -0.05 -0.14 0.00 -0.67 -1.32 0.00 0.00 176.35 174.16 1ulp n ASP 147 N 4.83 0.07 -3.85 3.68 2.03 -1.26 -4.08 116.55 117.97 1ulp n ASP 147 Ca -0.12 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.01 1ulp n ASP 147 Cb 0.53 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ulp s SER 148 N 1.00 0.76 1.13 1.67 1.04 -1.26 -3.72 113.70 114.32 1ulp s SER 148 Ca 0.00 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 1ulp s SER 148 Cb 0.00 -0.34 0.25 0.00 0.10 0.00 0.00 66.02 66.03 1ulp s SER 148 CO 0.00 -0.09 1.09 -0.70 0.98 0.00 0.00 173.24 174.52 1ulp s GLU 149 N 1.04 -0.65 -0.01 4.02 2.56 -1.15 -5.00 118.70 119.51 1ulp s GLU 149 Ca -0.09 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1ulp s GLU 149 Cb -0.14 -1.64 0.01 0.00 2.00 0.00 0.00 34.13 34.37 1ulp s GLU 149 CO -0.01 -3.39 0.59 1.55 -0.56 0.00 0.00 175.26 173.43 1ulp n VAL 150 N -4.59 0.00 -3.46 3.70 3.14 -1.26 -4.87 118.33 110.99 1ulp n VAL 150 Ca 0.09 -0.04 0.02 0.00 -2.96 0.00 0.00 64.34 61.46 1ulp n VAL 150 Cb 0.58 0.31 -0.05 0.00 -1.06 0.00 0.00 33.84 33.62 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1ulp s GLU 151 N 0.00 0.08 0.00 1.45 2.12 -1.26 -5.29 118.70 115.81 1ulp s GLU 151 Ca 0.00 0.17 0.26 0.00 0.36 0.00 0.00 54.97 55.76 1ulp s GLU 151 Cb 0.02 0.06 0.59 0.00 0.26 0.00 0.00 34.13 35.05 1ulp s GLU 151 CO -0.00 -0.02 1.48 -0.11 -0.54 0.00 0.00 175.26 176.07