#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 5.38 0.00 0.00 0.01 -1.26 -5.06 113.70 112.77 1ulp s SER 2 Ca 0.00 -3.31 0.00 0.00 1.31 0.00 0.00 55.95 53.95 1ulp s SER 2 Cb 0.00 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1ulp s SER 2 CO 0.00 -0.26 0.00 -0.81 0.41 0.00 0.00 173.24 172.58 1ulp n PRO 3 N 2.85 1.62 -0.68 12.44 -0.04 -1.26 -4.41 135.00 145.51 1ulp n PRO 3 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1ulp n PRO 3 Cb 0.37 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.14 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 -0.12 2.09 -1.50 0.52 -5.35 -1.21 -4.79 119.36 109.00 1ulp n ILE 4 Ca 0.00 -1.08 -0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1ulp n ILE 4 Cb 0.00 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 0.54 -0.32 3.51 3.28 0.00 -1.26 -4.77 105.19 106.16 1ulp n GLY 5 Ca 0.22 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.98 0.09 -3.00 1.61 1.02 -1.26 -4.56 120.64 113.55 1ulp n GLU 6 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1ulp n GLU 6 Cb 0.48 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 6.00 -0.56 0.00 0.62 0.00 -1.17 -4.94 105.19 105.15 1ulp n GLY 7 Ca 0.64 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.70 0.00 -2.23 2.61 -2.24 -1.26 0.01 114.28 113.88 1ulp n THR 8 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1ulp n THR 8 Cb 0.00 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.00 2.98 -2.56 4.78 3.72 -1.21 -4.64 117.46 120.53 1ulp n PHE 9 Ca 0.00 -2.59 -0.41 0.00 -0.05 0.00 0.00 57.45 54.39 1ulp n PHE 9 Cb 0.00 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.32 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ulp n ASP 10 N -0.61 7.29 0.00 4.37 2.03 -1.17 -1.62 116.55 126.84 1ulp n ASP 10 Ca 0.41 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 52.19 1ulp n ASP 10 Cb 0.84 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 0.58 0.00 0.00 1.67 2.03 -1.26 -4.67 116.55 114.91 1ulp n ASP 11 Ca 0.47 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1ulp n ASP 11 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 1.50 0.00 0.27 0.00 -1.26 -4.99 105.19 100.71 1ulp n GLY 12 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.08 0.90 0.00 1.61 -0.04 -1.26 -4.72 135.00 131.42 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 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1ulp n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ulp n GLU 14 N -0.69 0.00 -0.93 0.54 4.07 -1.26 -1.63 120.64 120.73 1ulp n GLU 14 Ca 0.08 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1ulp n GLU 14 Cb 0.04 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.41 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 0.00 0.75 3.57 8.31 0.00 -1.26 -5.03 105.19 111.53 1ulp n GLY 15 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 2.04 0.35 1.61 0.52 -0.65 -4.16 118.94 118.65 1ulp s TRP 16 Ca 0.11 0.18 -0.10 0.00 0.02 0.00 0.00 56.10 56.30 1ulp s TRP 16 Cb 0.13 -4.19 -0.07 0.00 -1.15 0.00 0.00 33.47 28.19 1ulp s TRP 16 CO -0.06 -1.62 0.71 0.14 0.02 0.00 0.00 176.95 176.14 1ulp s VAL 17 N 9.12 4.81 -0.02 4.03 -7.23 -0.52 -4.88 120.40 125.71 1ulp s VAL 17 Ca 0.65 0.59 0.01 0.00 -1.81 0.00 0.00 61.98 61.42 1ulp s VAL 17 Cb -0.03 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1ulp s VAL 17 CO 0.03 -0.38 -0.02 0.00 -0.31 0.00 0.00 175.10 174.41 1ulp s ALA 18 N -2.20 0.39 0.29 1.32 0.00 -1.26 -0.54 121.76 119.76 1ulp s ALA 18 Ca 0.50 0.00 0.11 0.00 0.00 0.00 0.00 51.96 52.58 1ulp s ALA 18 Cb -0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1ulp s ALA 18 CO 0.27 0.00 -0.17 1.52 0.00 0.00 0.00 175.76 177.38 1ulp s TYR 19 N 0.58 2.28 -0.43 0.00 -0.85 -0.71 -4.75 117.35 113.48 1ulp s TYR 19 Ca -0.06 -0.38 -0.00 0.00 -0.52 0.00 0.00 57.07 56.10 1ulp s TYR 19 Cb -0.09 -1.07 0.00 0.00 0.38 0.00 0.00 41.96 41.18 1ulp s TYR 19 CO -0.01 0.67 0.36 0.41 -1.52 0.00 0.00 175.55 175.46 1ulp n GLY 20 N -0.65 0.18 0.00 5.49 0.00 -1.26 -3.01 105.19 105.94 1ulp n GLY 20 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.21 0.00 -1.13 2.61 -2.24 -1.26 -4.56 114.28 105.49 1ulp n THR 21 Ca -0.09 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1ulp n THR 21 Cb 0.56 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ulp n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ulp n ASP 22 N 0.00 6.46 0.00 3.42 2.03 -1.24 -4.96 116.55 122.27 1ulp n ASP 22 Ca 0.00 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.19 1ulp n ASP 22 Cb 0.00 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 23 N 0.58 0.41 0.00 0.27 0.00 -1.26 -5.00 105.19 100.20 1ulp n GLY 23 Ca 0.38 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 1.03 -2.35 1.61 -0.04 -1.26 -4.82 135.00 129.17 1ulp n PRO 24 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1ulp n PRO 24 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ulp n PRO 24 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1ulp n LEU 25 N 0.00 0.00 -4.24 1.53 -0.00 -1.26 -4.68 117.00 108.35 1ulp n LEU 25 Ca 0.00 -0.94 -0.14 0.00 -0.00 0.00 0.00 56.01 54.93 1ulp n LEU 25 Cb 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.33 1ulp n LEU 25 CO 0.00 -0.33 -0.41 -0.62 -0.00 0.00 0.00 177.39 176.04 1ulp s ASP 26 N -2.01 1.72 0.00 1.45 2.15 -0.98 -5.00 116.67 114.00 1ulp s ASP 26 Ca 0.08 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 52.06 1ulp s ASP 26 Cb -0.01 0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 1ulp s ASP 26 CO 0.05 -0.34 0.00 0.35 -0.17 0.00 0.00 175.17 175.06 1ulp n THR 27 N -0.17 0.00 -2.51 1.71 -2.24 -1.26 -0.89 114.28 108.93 1ulp n THR 27 Ca -0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1ulp n THR 27 Cb 0.61 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1ulp n THR 27 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ulp n SER 28 N -1.36 -3.82 -4.09 3.42 7.64 -1.26 -1.87 113.62 112.28 1ulp n SER 28 Ca 0.00 0.16 -0.36 0.00 1.01 0.00 0.00 58.87 59.68 1ulp n SER 28 Cb 0.16 -3.25 -0.02 0.00 -1.01 0.00 0.00 64.21 60.09 1ulp n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ulp n THR 29 N -3.41 -2.62 0.06 0.44 -2.24 -1.26 -4.60 114.28 100.65 1ulp n THR 29 Ca -0.13 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1ulp n THR 29 Cb 0.60 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ulp n GLY 30 N -2.19 -1.00 3.25 3.38 0.00 -0.64 -4.55 105.19 103.44 1ulp n GLY 30 Ca -0.21 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.81 -0.66 4.61 0.00 -0.88 -3.07 121.76 118.95 1ulp s ALA 31 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1ulp s ALA 31 Cb 0.00 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1ulp s ALA 31 CO 0.00 -0.26 1.24 -1.17 0.00 0.00 0.00 175.76 175.56 1ulp s LEU 32 N -1.31 3.31 -0.38 0.00 2.96 -0.90 -4.08 118.68 118.27 1ulp s LEU 32 Ca -0.13 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1ulp s LEU 32 Cb -0.05 -2.87 0.07 0.00 0.50 0.00 0.00 46.19 43.84 1ulp s LEU 32 CO 0.04 -1.66 0.18 0.00 -1.32 0.00 0.00 176.35 173.59 1ulp s VAL 34 N 1.34 4.87 -0.70 0.00 -7.23 -0.37 -2.32 120.40 115.99 1ulp s VAL 34 Ca 0.02 1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 61.01 1ulp s VAL 34 Cb -0.22 -3.81 0.08 0.00 0.56 0.00 0.00 36.38 33.00 1ulp s VAL 34 CO 0.01 0.56 0.96 0.00 -0.31 0.00 0.00 175.10 176.31 1ulp s ALA 35 N -1.11 3.19 -0.04 1.32 0.00 -1.26 -2.52 121.76 121.35 1ulp s ALA 35 Ca 0.27 -2.05 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 1ulp s ALA 35 Cb -0.18 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 1ulp s ALA 35 CO 0.17 -2.76 0.82 0.08 0.00 0.00 0.00 175.76 174.07 1ulp s VAL 36 N 3.66 4.96 1.14 0.00 1.01 -0.44 -3.65 120.40 127.08 1ulp s VAL 36 Ca 0.22 1.71 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 1ulp s VAL 36 Cb -0.16 -4.16 0.28 0.00 0.00 0.00 0.00 36.38 32.34 1ulp s VAL 36 CO 0.06 0.21 1.05 -0.81 0.00 0.00 0.00 175.10 175.62 1ulp n PRO 37 N 3.81 -2.87 -0.93 2.72 -0.04 -1.26 -1.78 135.00 134.64 1ulp n PRO 37 Ca 0.02 -1.68 -0.37 0.00 -0.04 0.00 0.00 63.50 61.43 1ulp n PRO 37 Cb 0.51 -1.52 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 1ulp n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 38 N -4.68 -5.27 -1.02 0.55 0.00 -1.26 -3.52 120.51 105.31 1ulp n ALA 38 Ca -0.20 -1.14 -0.44 0.00 0.00 0.00 0.00 53.44 51.66 1ulp n ALA 38 Cb 0.55 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 3.13 -0.17 3.38 0.00 0.00 -0.51 -4.40 105.19 106.63 1ulp n GLY 39 Ca -0.01 0.88 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 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 6.32 -1.44 -0.73 1.61 2.88 -1.26 -4.60 113.62 116.41 1ulp n SER 40 Ca 0.45 -0.54 0.05 0.00 -1.33 0.00 0.00 58.87 57.50 1ulp n SER 40 Cb -0.02 -0.51 0.21 0.00 -0.75 0.00 0.00 64.21 63.13 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp n ALA 41 N 5.31 3.26 0.00 -1.46 0.00 -1.26 -1.71 120.51 124.65 1ulp n ALA 41 Ca 0.65 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 51.35 1ulp n ALA 41 Cb 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.99 0.00 0.00 0.00 10.64 -1.26 -5.02 117.38 120.75 1ulp n GLN 42 Ca 0.23 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1ulp n GLN 42 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.23 1ulp n GLN 42 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1ulp n TYR 43 N 0.00 0.00 -2.98 2.61 4.19 -1.26 -5.07 117.16 114.64 1ulp n TYR 43 Ca 0.00 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.11 1ulp n TYR 43 Cb 0.00 0.00 0.01 0.00 0.49 0.00 0.00 39.34 39.84 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ulp n GLY 44 N -0.36 -1.76 3.81 2.98 0.00 -1.26 -4.78 105.19 103.82 1ulp n GLY 44 Ca 0.00 0.82 -0.37 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.87 4.60 -0.17 1.61 1.01 -1.01 -4.74 120.40 119.84 1ulp s VAL 45 Ca 0.16 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1ulp s VAL 45 Cb -0.03 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.56 1ulp s VAL 45 CO 0.68 0.32 0.92 -0.83 0.00 0.00 0.00 175.10 176.20 1ulp s GLY 46 N -1.49 -0.33 -0.14 4.51 0.00 -1.16 0.24 107.32 108.95 1ulp s GLY 46 Ca 0.39 2.01 -0.02 0.00 0.00 0.00 0.00 44.72 47.10 1ulp s GLY 46 CO 0.21 1.22 -0.08 0.14 0.00 0.00 0.00 173.10 174.59 1ulp s VAL 47 N -0.76 3.45 0.05 1.40 1.01 0.15 -1.73 120.40 123.97 1ulp s VAL 47 Ca -0.03 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1ulp s VAL 47 Cb -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ulp s VAL 47 CO 0.02 0.51 -0.26 0.68 0.00 0.00 0.00 175.10 176.05 1ulp s VAL 48 N 0.38 2.08 -0.12 2.92 -7.23 0.30 -1.55 120.40 117.18 1ulp s VAL 48 Ca -0.07 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1ulp s VAL 48 Cb -0.15 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.06 1ulp s VAL 48 CO 0.04 0.31 0.19 -0.22 -0.31 0.00 0.00 175.10 175.12 1ulp s LEU 49 N -1.32 -0.12 0.20 1.32 2.96 -1.17 -1.43 118.68 119.12 1ulp s LEU 49 Ca 0.11 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 1ulp s LEU 49 Cb -0.10 0.38 -0.07 0.00 0.50 0.00 0.00 46.19 46.90 1ulp s LEU 49 CO 0.02 -0.27 0.56 0.54 -1.32 0.00 0.00 176.35 175.88 1ulp s ASN 50 N 2.32 6.70 0.00 3.68 4.22 -1.26 -1.09 114.94 129.51 1ulp s ASN 50 Ca 0.04 0.99 0.00 0.00 -2.14 0.00 0.00 52.86 51.75 1ulp s ASN 50 Cb -0.13 -2.25 0.00 0.00 1.28 0.00 0.00 41.25 40.15 1ulp s ASN 50 CO -0.08 -0.02 0.00 0.61 -2.04 0.00 0.00 177.10 175.58 1ulp n GLY 51 N 0.19 0.61 3.21 0.45 0.00 -1.17 -4.87 105.19 103.61 1ulp n GLY 51 Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 1.01 -0.91 1.61 1.01 -1.26 -3.29 120.40 118.57 1ulp s VAL 52 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1ulp s VAL 52 Cb 0.00 -1.66 0.32 0.00 0.00 0.00 0.00 36.38 35.04 1ulp s VAL 52 CO 0.00 -0.71 1.54 0.00 0.00 0.00 0.00 175.10 175.94 1ulp n ALA 53 N 0.08 5.59 -2.48 5.51 0.00 -1.26 -4.60 120.51 123.34 1ulp n ALA 53 Ca -0.12 -4.66 -0.25 0.00 0.00 0.00 0.00 53.44 48.41 1ulp n ALA 53 Cb 0.60 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 1ulp n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulp s ILE 54 N -4.18 1.90 -0.03 0.00 -1.09 -1.16 -4.96 121.20 111.67 1ulp s ILE 54 Ca 0.41 -1.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.14 1ulp s ILE 54 Cb 0.20 -1.75 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1ulp s ILE 54 CO -0.11 -0.09 0.46 -1.84 -1.23 0.00 0.00 174.94 172.14 1ulp n GLU 55 N 0.82 0.14 -3.01 2.79 0.28 -1.25 0.01 120.64 120.43 1ulp n GLU 55 Ca -0.17 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 1ulp n GLU 55 Cb 0.54 0.34 0.00 0.00 1.43 0.00 0.00 31.44 33.75 1ulp n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ulp n GLU 56 N -0.16 -1.94 -2.56 3.44 2.13 0.19 -4.81 120.64 116.93 1ulp n GLU 56 Ca -0.06 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.34 1ulp n GLU 56 Cb 0.46 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.17 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 57 N -0.00 5.10 3.89 8.31 0.00 -1.22 -2.68 105.19 118.59 1ulp n GLY 57 Ca 0.00 -2.34 -0.25 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.37 1.93 0.41 2.61 2.01 -0.93 -4.83 115.64 115.48 1ulp s THR 58 Ca 0.38 -1.45 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 1ulp s THR 58 Cb 0.10 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1ulp s THR 58 CO 0.02 0.00 0.69 -0.89 -0.69 0.00 0.00 174.62 173.75 1ulp s THR 59 N -2.69 4.96 0.26 -0.82 2.01 -1.26 0.18 115.64 118.28 1ulp s THR 59 Ca 0.39 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 1ulp s THR 59 Cb -0.02 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1ulp s THR 59 CO 0.24 -0.66 0.47 -1.22 -0.69 0.00 0.00 174.62 172.76 1ulp n TYR 60 N -1.83 -1.67 -3.47 4.92 4.01 0.10 -3.58 117.16 115.64 1ulp n TYR 60 Ca -0.01 -1.40 -0.11 0.00 -0.16 0.00 0.00 57.90 56.22 1ulp n TYR 60 Cb 0.55 0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 40.04 1ulp n TYR 60 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ulp s THR 61 N -2.49 -0.55 -0.24 -0.72 2.01 -1.09 -2.50 115.64 110.06 1ulp s THR 61 Ca 0.14 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 1ulp s THR 61 Cb -0.02 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1ulp s THR 61 CO 0.10 -0.06 0.62 -0.22 -0.69 0.00 0.00 174.62 174.37 1ulp s LEU 62 N 2.52 4.08 -0.06 4.42 2.96 -0.92 -4.15 118.68 127.52 1ulp s LEU 62 Ca 0.07 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1ulp s LEU 62 Cb -0.14 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.71 1ulp s LEU 62 CO -0.14 -0.34 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.29 1ulp s ARG 63 N 2.35 1.71 -0.08 1.98 0.52 -1.16 -2.72 118.95 121.55 1ulp s ARG 63 Ca 0.26 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 1ulp s ARG 63 Cb -0.16 -1.42 0.10 0.00 0.52 0.00 0.00 34.95 34.00 1ulp s ARG 63 CO 0.09 0.05 0.86 1.52 0.02 0.00 0.00 175.30 177.84 1ulp s TYR 64 N 0.58 -0.46 -0.45 -0.53 -0.85 -0.89 -2.36 117.35 112.38 1ulp s TYR 64 Ca -0.13 0.66 0.04 0.00 -0.52 0.00 0.00 57.07 57.11 1ulp s TYR 64 Cb -0.15 0.46 0.12 0.00 0.38 0.00 0.00 41.96 42.77 1ulp s TYR 64 CO 0.04 -0.49 0.19 0.99 -1.52 0.00 0.00 175.55 174.75 1ulp s THR 65 N -1.73 2.52 0.21 -3.49 2.01 -1.26 -0.83 115.64 113.07 1ulp s THR 65 Ca -0.03 -2.93 -0.01 0.00 0.31 0.00 0.00 61.69 59.03 1ulp s THR 65 Cb -0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1ulp s THR 65 CO 0.01 -0.73 0.41 0.00 -0.69 0.00 0.00 174.62 173.62 1ulp s ALA 66 N 0.18 3.81 -0.14 7.40 0.00 -0.97 -3.39 121.76 128.66 1ulp s ALA 66 Ca 0.15 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1ulp s ALA 66 Cb -0.23 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 20.90 1ulp s ALA 66 CO -0.03 0.41 0.35 0.99 0.00 0.00 0.00 175.76 177.48 1ulp s THR 67 N -1.89 -0.02 -0.07 0.00 2.01 -0.69 -2.47 115.64 112.51 1ulp s THR 67 Ca 0.39 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1ulp s THR 67 Cb -0.11 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1ulp s THR 67 CO 0.29 0.02 -0.24 0.00 -0.69 0.00 0.00 174.62 174.01 1ulp s ALA 68 N 0.77 2.08 0.59 7.40 0.00 -1.10 -0.49 121.76 131.01 1ulp s ALA 68 Ca -0.05 -0.98 0.31 0.00 0.00 0.00 0.00 51.96 51.24 1ulp s ALA 68 Cb -0.06 -0.68 1.20 0.00 0.00 0.00 0.00 23.12 23.58 1ulp s ALA 68 CO -0.05 0.37 1.52 1.03 0.00 0.00 0.00 175.76 178.62 1ulp h SER 69 N 6.26 0.00 -2.67 0.00 0.87 -1.72 -3.27 113.55 113.01 1ulp h SER 69 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1ulp h SER 69 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1ulp h SER 69 CO 0.47 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.84 1ulp n THR 70 N -3.50 0.00 -1.83 2.23 5.66 -1.26 -4.59 114.28 110.99 1ulp n THR 70 Ca 0.22 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.85 1ulp n THR 70 Cb 1.34 -0.24 0.05 0.00 -1.55 0.00 0.00 70.33 69.93 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 -1.06 7.18 -4.35 1.09 2.03 -1.26 -2.51 116.55 117.68 1ulp n ASP 71 Ca 0.00 -3.81 -0.29 0.00 0.52 0.00 0.00 54.79 51.21 1ulp n ASP 71 Cb 0.00 -0.95 0.25 0.00 -0.72 0.00 0.00 41.12 39.69 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 -5.04 1.87 -0.48 5.18 0.11 -1.24 -4.70 120.40 116.10 1ulp s VAL 72 Ca 0.55 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.67 1ulp s VAL 72 Cb 0.45 -2.17 0.19 0.00 -1.53 0.00 0.00 36.38 33.32 1ulp s VAL 72 CO -0.27 0.00 0.70 -0.89 -3.33 0.00 0.00 175.10 171.31 1ulp s THR 73 N -2.56 -0.98 0.00 5.04 2.01 -1.26 -1.68 115.64 116.20 1ulp s THR 73 Ca 0.68 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1ulp s THR 73 Cb -0.21 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1ulp s THR 73 CO 0.62 0.00 0.00 1.33 -0.69 0.00 0.00 174.62 175.88 1ulp n VAL 74 N 3.49 0.00 -4.06 3.82 0.24 -1.25 -4.89 118.33 115.68 1ulp n VAL 74 Ca 0.15 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.13 1ulp n VAL 74 Cb 0.57 -1.51 -0.15 0.00 -1.47 0.00 0.00 33.84 31.28 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 1.46 2.31 0.23 7.34 0.52 -1.14 -3.24 118.95 126.43 1ulp s ARG 75 Ca 0.00 -1.12 0.10 0.00 -0.52 0.00 0.00 55.73 54.19 1ulp s ARG 75 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 1ulp s ARG 75 CO 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 175.30 174.75 1ulp s ALA 76 N 1.22 2.93 0.00 2.13 0.00 0.14 -1.30 121.76 126.88 1ulp s ALA 76 Ca -0.04 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1ulp s ALA 76 Cb -0.18 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1ulp s ALA 76 CO -0.07 0.37 0.00 1.47 0.00 0.00 0.00 175.76 177.52 1ulp n LEU 77 N -0.34 0.00 -4.00 0.00 -0.00 -0.59 -2.78 117.00 109.29 1ulp n LEU 77 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.82 1ulp n LEU 77 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.37 0.00 0.21 -0.69 -0.00 0.00 0.00 177.39 177.27 1ulp s VAL 78 N -4.00 0.00 0.00 1.47 1.01 -1.26 -2.37 120.40 115.25 1ulp s VAL 78 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1ulp s VAL 78 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1ulp s VAL 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 79 N -0.44 0.18 3.81 4.51 0.00 -1.18 -3.19 105.19 108.88 1ulp n GLY 79 Ca -0.02 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 1ulp n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulp s GLN 80 N -2.00 4.02 -0.39 1.61 2.00 -0.77 -2.17 119.66 121.96 1ulp s GLN 80 Ca 0.00 0.41 0.03 0.00 -2.00 0.00 0.00 55.36 53.80 1ulp s GLN 80 Cb 0.00 -3.27 0.11 0.00 0.80 0.00 0.00 33.01 30.65 1ulp s GLN 80 CO 0.00 0.57 0.13 -0.80 -0.50 0.00 0.00 175.29 174.69 1ulp s ASN 81 N -0.70 4.39 0.00 6.67 0.02 0.11 -4.19 114.94 121.25 1ulp s ASN 81 Ca 0.24 -2.33 0.00 0.00 -1.02 0.00 0.00 52.86 49.75 1ulp s ASN 81 Cb -0.16 -1.42 0.00 0.00 0.02 0.00 0.00 41.25 39.68 1ulp s ASN 81 CO 0.13 -0.34 0.00 0.61 0.02 0.00 0.00 177.10 177.52 1ulp n GLY 82 N 4.00 0.60 1.68 0.66 0.00 -1.26 0.21 105.19 111.08 1ulp n GLY 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 83 N 0.00 -1.98 0.92 4.61 0.00 -1.26 -4.72 120.51 118.07 1ulp n ALA 83 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.94 1ulp n ALA 83 Cb 0.00 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.02 1ulp n ALA 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ulp n PRO 84 N -1.40 1.41 -1.43 0.00 -0.04 -1.26 -4.97 135.00 127.32 1ulp n PRO 84 Ca 0.00 -0.35 0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1ulp n PRO 84 Cb 0.14 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.03 -3.64 0.00 0.54 4.01 -1.26 -5.04 117.16 111.79 1ulp n TYR 85 Ca 0.03 1.91 0.00 0.00 -0.16 0.00 0.00 57.90 59.68 1ulp n TYR 85 Cb 0.32 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 36.04 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -4.23 3.24 3.86 2.72 0.00 -1.26 -4.73 105.19 104.80 1ulp n GLY 86 Ca -0.04 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 4.94 0.00 2.61 -4.23 -1.26 -1.85 115.64 115.85 1ulp s THR 87 Ca 0.00 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1ulp s THR 87 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1ulp s THR 87 CO 0.00 0.08 0.00 1.33 -0.54 0.00 0.00 174.62 175.49 1ulp n VAL 88 N 0.29 0.00 -4.10 2.29 0.24 -1.19 -4.78 118.33 111.08 1ulp n VAL 88 Ca -0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 1ulp n VAL 88 Cb 0.52 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.71 3.84 -0.39 1.34 1.02 -1.25 -4.85 118.68 115.67 1ulp s LEU 89 Ca 0.00 0.09 0.05 0.00 0.02 0.00 0.00 54.13 54.28 1ulp s LEU 89 Cb 0.00 -2.32 0.16 0.00 0.02 0.00 0.00 46.19 44.05 1ulp s LEU 89 CO 0.00 0.24 0.45 -0.62 0.02 0.00 0.00 176.35 176.44 1ulp s ASP 90 N -1.92 0.42 0.36 2.29 -1.08 -1.26 -4.12 116.67 111.35 1ulp s ASP 90 Ca 0.25 -1.50 -0.13 0.00 -0.52 0.00 0.00 52.55 50.64 1ulp s ASP 90 Cb -0.12 0.91 0.05 0.00 -1.46 0.00 0.00 42.92 42.30 1ulp s ASP 90 CO 0.16 -0.22 0.72 0.35 0.52 0.00 0.00 175.17 176.70 1ulp n THR 91 N 4.12 0.00 -4.53 1.71 -2.24 -1.12 -5.07 114.28 107.16 1ulp n THR 91 Ca 0.13 -0.90 -0.24 0.00 -2.27 0.00 0.00 64.05 60.76 1ulp n THR 91 Cb 0.48 0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.88 1.74 -0.89 3.42 0.01 -1.26 -0.68 113.70 113.17 1ulp s SER 92 Ca 0.14 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 1ulp s SER 92 Cb -0.04 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.36 1ulp s SER 92 CO 0.11 0.02 1.81 -2.16 0.41 0.00 0.00 173.24 173.43 1ulp s PRO 93 N 0.73 2.80 0.00 12.44 0.04 -1.20 -4.85 135.00 144.97 1ulp s PRO 93 Ca -0.13 -0.37 -0.30 0.00 0.04 0.00 0.00 61.00 60.24 1ulp s PRO 93 Cb -0.16 -5.02 -0.06 0.00 0.04 0.00 0.00 34.50 29.31 1ulp s PRO 93 CO 0.03 -3.02 1.41 0.00 0.04 0.00 0.00 177.00 175.46 1ulp s ALA 94 N 8.74 3.59 0.42 8.56 0.00 -1.26 -3.97 121.76 137.84 1ulp s ALA 94 Ca 0.63 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.55 1ulp s ALA 94 Cb -0.06 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1ulp s ALA 94 CO 0.00 -0.92 0.01 -0.51 0.00 0.00 0.00 175.76 174.34 1ulp s LEU 95 N 2.41 2.85 0.00 0.00 1.43 -0.68 -4.88 118.68 119.82 1ulp s LEU 95 Ca 0.64 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1ulp s LEU 95 Cb -0.32 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1ulp s LEU 95 CO 0.27 -0.48 0.00 1.07 0.23 0.00 0.00 176.35 177.44 1ulp n THR 96 N -0.99 0.00 -0.40 5.49 5.66 -1.05 -3.65 114.28 119.34 1ulp n THR 96 Ca -0.06 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 1ulp n THR 96 Cb 0.67 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.64 1ulp n THR 96 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ulp n SER 97 N 0.00 3.82 -3.91 1.09 3.41 -1.25 -2.72 113.62 114.06 1ulp n SER 97 Ca 0.00 -2.88 -0.12 0.00 -0.26 0.00 0.00 58.87 55.61 1ulp n SER 97 Cb 0.00 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.20 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ulp s GLU 98 N -2.20 1.49 0.10 4.33 2.02 -1.26 -5.08 118.70 118.09 1ulp s GLU 98 Ca 0.38 -1.53 -0.31 0.00 0.02 0.00 0.00 54.97 53.53 1ulp s GLU 98 Cb 0.30 0.38 -0.07 0.00 0.10 0.00 0.00 34.13 34.85 1ulp s GLU 98 CO 0.09 -0.57 1.25 -1.25 0.02 0.00 0.00 175.26 174.80 1ulp s PRO 99 N -3.87 4.41 -0.47 0.39 0.04 -1.26 -4.65 135.00 129.59 1ulp s PRO 99 Ca 0.31 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1ulp s PRO 99 Cb 0.03 -3.30 0.12 0.00 0.04 0.00 0.00 34.50 31.38 1ulp s PRO 99 CO 0.13 -0.28 0.20 1.03 0.04 0.00 0.00 177.00 178.12 1ulp s ARG 100 N 0.86 1.84 -0.84 4.56 0.52 -1.03 -5.01 118.95 119.85 1ulp s ARG 100 Ca 0.59 -2.39 -0.24 0.00 -0.52 0.00 0.00 55.73 53.18 1ulp s ARG 100 Cb -0.32 -3.30 0.06 0.00 0.52 0.00 0.00 34.95 31.91 1ulp s ARG 100 CO 0.31 -1.06 1.25 -1.14 0.02 0.00 0.00 175.30 174.68 1ulp s GLN 101 N 0.09 3.37 -0.04 3.54 0.74 -1.26 -2.28 119.66 123.82 1ulp s GLN 101 Ca 0.15 -0.87 -0.20 0.00 0.05 0.00 0.00 55.36 54.49 1ulp s GLN 101 Cb -0.24 -4.68 -0.05 0.00 1.10 0.00 0.00 33.01 29.14 1ulp s GLN 101 CO -0.03 -2.05 0.57 0.08 -0.55 0.00 0.00 175.29 173.32 1ulp s VAL 102 N 4.71 4.99 -0.14 1.34 1.01 -0.01 -4.92 120.40 127.39 1ulp s VAL 102 Ca 0.36 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 1ulp s VAL 102 Cb -0.07 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1ulp s VAL 102 CO 0.02 0.39 0.37 -0.89 0.00 0.00 0.00 175.10 174.99 1ulp s THR 103 N 0.07 -0.00 0.17 3.92 2.01 -1.26 -2.10 115.64 118.44 1ulp s THR 103 Ca 0.30 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 1ulp s THR 103 Cb -0.17 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 71.89 1ulp s THR 103 CO 0.16 0.00 0.62 -1.61 -0.69 0.00 0.00 174.62 173.10 1ulp s GLU 104 N 0.25 1.31 -0.16 4.92 2.02 -1.10 -5.00 118.70 120.94 1ulp s GLU 104 Ca -0.00 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1ulp s GLU 104 Cb -0.03 0.59 -0.02 0.00 0.10 0.00 0.00 34.13 34.77 1ulp s GLU 104 CO -0.00 -0.58 -0.07 -0.08 0.02 0.00 0.00 175.26 174.55 1ulp s THR 105 N -3.75 3.48 0.08 3.63 -1.32 -1.26 -2.17 115.64 114.32 1ulp s THR 105 Ca 0.02 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1ulp s THR 105 Cb -0.01 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 1ulp s THR 105 CO -0.11 0.49 -0.06 0.72 -2.21 0.00 0.00 174.62 173.45 1ulp s PHE 106 N 0.57 0.78 -0.82 9.09 -0.12 -1.04 -4.96 117.98 121.49 1ulp s PHE 106 Ca -0.05 -0.82 -0.20 0.00 -0.05 0.00 0.00 56.93 55.81 1ulp s PHE 106 Cb -0.15 -0.47 0.11 0.00 -0.63 0.00 0.00 43.02 41.88 1ulp s PHE 106 CO 0.03 -0.16 1.04 0.99 -0.05 0.00 0.00 175.22 177.07 1ulp s THR 107 N -3.04 4.61 -0.90 -4.49 2.01 -1.26 -0.72 115.64 111.85 1ulp s THR 107 Ca 0.05 -1.15 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 1ulp s THR 107 Cb 0.01 -4.73 -0.24 0.00 0.01 0.00 0.00 72.50 67.55 1ulp s THR 107 CO -0.04 -1.46 2.28 0.00 -0.69 0.00 0.00 174.62 174.71 1ulp n ALA 108 N 6.89 0.75 -1.45 7.40 0.00 0.49 -4.70 120.51 129.89 1ulp n ALA 108 Ca 0.13 -1.10 -0.28 0.00 0.00 0.00 0.00 53.44 52.19 1ulp n ALA 108 Cb 0.47 -2.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.02 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 11.95 6.89 0.00 0.00 3.41 -1.26 -2.18 113.62 132.43 1ulp n SER 109 Ca 0.58 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1ulp n SER 109 Cb 0.28 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 1.95 0.00 -3.48 7.33 0.00 -1.09 -4.86 120.51 120.36 1ulp n ALA 110 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 1ulp n ALA 110 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.28 -0.54 -0.78 0.00 2.01 -1.26 0.55 115.64 113.34 1ulp s THR 111 Ca 0.00 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 111 Cb 0.00 -0.71 0.20 0.00 0.01 0.00 0.00 72.50 72.00 1ulp s THR 111 CO 0.00 -0.06 0.64 -0.31 -0.69 0.00 0.00 174.62 174.20 1ulp s TYR 112 N 2.51 3.67 0.00 4.92 2.02 0.10 -4.52 117.35 126.05 1ulp s TYR 112 Ca 0.07 -2.76 0.00 0.00 -0.37 0.00 0.00 57.07 54.01 1ulp s TYR 112 Cb -0.14 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.11 1ulp s TYR 112 CO -0.13 -0.82 0.00 -0.35 -1.57 0.00 0.00 175.55 172.68 1ulp n PRO 113 N 3.03 -0.04 -2.68 -1.71 -0.04 -1.23 -2.98 135.00 129.36 1ulp n PRO 113 Ca 0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 113 Cb 0.39 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.54 -3.95 0.55 0.00 -1.26 -2.77 120.51 112.62 1ulp n ALA 114 Ca 0.00 -2.43 -0.30 0.00 0.00 0.00 0.00 53.44 50.70 1ulp n ALA 114 Cb 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.84 2.20 -0.06 0.00 2.01 -1.26 -5.03 115.64 111.66 1ulp s THR 115 Ca 0.25 -2.60 -0.30 0.00 0.31 0.00 0.00 61.69 59.36 1ulp s THR 115 Cb 0.43 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1ulp s THR 115 CO -0.01 -0.69 1.31 -2.16 -0.69 0.00 0.00 174.62 172.38 1ulp s PRO 116 N 0.54 4.29 0.00 4.92 0.04 -1.22 -4.43 135.00 139.14 1ulp s PRO 116 Ca 0.13 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ulp s PRO 116 Cb -0.21 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1ulp s PRO 116 CO -0.06 -0.57 0.00 0.00 0.04 0.00 0.00 177.00 176.41 1ulp n ALA 117 N 5.67 0.00 0.19 8.56 0.00 -1.11 -4.89 120.51 128.93 1ulp n ALA 117 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1ulp n ALA 117 Cb 0.45 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.52 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 1.00 1.07 0.00 0.00 0.00 -2.07 -3.23 119.26 116.03 1ulp h ALA 118 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ulp h ALA 118 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1ulp h ALA 118 CO 0.00 -0.07 -0.13 -3.47 0.00 0.00 0.00 179.25 175.58 1ulp n ASP 119 N -2.34 -0.46 -4.04 0.00 2.03 -1.26 -5.05 116.55 105.44 1ulp n ASP 119 Ca -0.02 -1.11 -0.33 0.00 0.52 0.00 0.00 54.79 53.85 1ulp n ASP 119 Cb 0.13 0.14 -0.09 0.00 -0.72 0.00 0.00 41.12 40.57 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ulp s ASP 120 N -0.46 5.34 0.00 1.67 1.11 -1.22 -4.74 116.67 118.38 1ulp s ASP 120 Ca 0.00 -3.48 0.00 0.00 0.18 0.00 0.00 52.55 49.25 1ulp s ASP 120 Cb 0.00 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.19 1ulp s ASP 120 CO 0.00 -0.21 0.57 -0.81 1.18 0.00 0.00 175.17 175.91 1ulp n PRO 121 N 2.59 0.92 0.00 8.23 -0.04 -0.92 -2.74 135.00 143.04 1ulp n PRO 121 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ulp n PRO 121 Cb 0.36 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.09 0.00 -3.12 0.54 0.28 0.57 -4.53 120.64 114.29 1ulp n GLU 122 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 1ulp n GLU 122 Cb 0.17 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.98 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 2.38 0.00 -1.84 0.00 -1.11 0.05 107.32 106.79 1ulp s GLY 123 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1ulp s GLY 123 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.01 1ulp n GLN 124 N -0.22 0.00 -4.61 2.90 10.64 -0.92 -3.02 117.38 122.14 1ulp n GLN 124 Ca 0.03 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.90 1ulp n GLN 124 Cb 0.53 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.78 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -1.60 2.43 -0.15 -0.39 1.01 -0.25 -3.13 121.20 119.12 1ulp s ILE 125 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.20 1ulp s ILE 125 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.46 1ulp s ILE 125 CO 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 174.94 174.99 1ulp s ALA 126 N -0.96 2.13 -0.38 9.38 0.00 -1.00 -3.04 121.76 127.89 1ulp s ALA 126 Ca 0.14 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1ulp s ALA 126 Cb -0.10 -1.04 0.11 0.00 0.00 0.00 0.00 23.12 22.08 1ulp s ALA 126 CO 0.05 -0.20 0.11 -0.06 0.00 0.00 0.00 175.76 175.67 1ulp s PHE 127 N 1.10 3.66 -1.10 0.00 0.40 -0.60 -1.54 117.98 119.90 1ulp s PHE 127 Ca -0.01 -2.92 -0.16 0.00 -0.60 0.00 0.00 56.93 53.24 1ulp s PHE 127 Cb -0.14 -2.98 0.15 0.00 0.51 0.00 0.00 43.02 40.56 1ulp s PHE 127 CO -0.07 -0.93 1.34 -0.65 0.70 0.00 0.00 175.22 175.61 1ulp s GLN 128 N 0.77 3.89 -0.20 0.44 -1.52 -0.42 -0.67 119.66 121.95 1ulp s GLN 128 Ca 0.11 -2.20 -0.03 0.00 -1.95 0.00 0.00 55.36 51.29 1ulp s GLN 128 Cb -0.21 -5.05 -0.02 0.00 -0.22 0.00 0.00 33.01 27.52 1ulp s GLN 128 CO -0.06 -1.81 2.73 1.28 -0.25 0.00 0.00 175.29 177.18 1ulp n LEU 129 N 6.24 5.89 0.00 2.90 4.77 0.66 -2.89 117.00 134.57 1ulp n LEU 129 Ca 0.33 -3.33 -0.02 0.00 -0.03 0.00 0.00 56.01 52.96 1ulp n LEU 129 Cb 0.46 -1.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.33 1ulp n LEU 129 CO 0.59 1.48 0.02 0.61 -1.33 0.00 0.00 177.39 178.76 1ulp n GLY 130 N 1.37 -3.20 3.53 -0.72 0.00 -0.34 -2.39 105.19 103.44 1ulp n GLY 130 Ca 0.34 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1ulp n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulp n GLY 131 N 0.72 -0.29 0.89 -0.02 0.00 -0.69 -4.25 105.19 101.54 1ulp n GLY 131 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 13.38 0.00 -2.39 1.61 3.72 -1.26 -4.80 117.46 127.72 1ulp n PHE 132 Ca 0.54 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.69 1ulp n PHE 132 Cb 0.32 -0.08 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N -5.16 4.25 -0.23 4.37 0.15 -1.26 -4.73 113.70 111.09 1ulp s SER 133 Ca -0.03 -0.07 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 1ulp s SER 133 Cb 0.01 -0.33 -0.11 0.00 -1.71 0.00 0.00 66.02 63.88 1ulp s SER 133 CO 0.04 -1.93 -0.23 0.00 1.20 0.00 0.00 173.24 172.31 1ulp n ALA 134 N -2.99 0.99 -2.02 5.45 0.00 -1.26 -3.51 120.51 117.17 1ulp n ALA 134 Ca 0.13 -0.87 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 1ulp n ALA 134 Cb 0.60 -0.03 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 -6.90 5.30 0.09 0.00 1.01 -1.26 -1.42 116.67 113.49 1ulp s ASP 135 Ca -0.33 -0.56 -0.33 0.00 0.71 0.00 0.00 52.55 52.05 1ulp s ASP 135 Cb 0.10 -0.23 -0.12 0.00 1.01 0.00 0.00 42.92 43.68 1ulp s ASP 135 CO 0.47 -1.12 1.78 0.00 0.21 0.00 0.00 175.17 176.51 1ulp n ALA 136 N -2.13 1.72 -3.33 5.23 0.00 -1.26 -3.03 120.51 117.71 1ulp n ALA 136 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1ulp n ALA 136 Cb 0.60 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 5.21 0.00 -3.93 0.00 2.14 -0.74 -4.82 117.44 115.30 1ulp n TRP 137 Ca 0.19 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.67 1ulp n TRP 137 Cb 0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.81 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 -1.40 0.00 -0.06 -1.67 -1.32 -1.26 -1.32 115.64 108.60 1ulp s THR 138 Ca 0.00 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1ulp s THR 138 Cb 0.00 -2.30 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 1ulp s THR 138 CO 0.00 0.00 -0.09 -0.76 -2.21 0.00 0.00 174.62 171.56 1ulp s LEU 139 N -3.02 1.50 -0.31 9.08 1.02 -1.05 -3.74 118.68 122.17 1ulp s LEU 139 Ca 0.18 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.09 1ulp s LEU 139 Cb -0.03 -0.72 0.10 0.00 0.02 0.00 0.00 46.19 45.56 1ulp s LEU 139 CO 0.10 -0.01 0.07 0.00 0.02 0.00 0.00 176.35 176.53 1ulp n LEU 141 N 4.64 0.00 0.00 0.00 4.77 -0.74 -1.71 117.00 123.96 1ulp n LEU 141 Ca -0.01 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1ulp n LEU 141 Cb 0.42 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ulp n LEU 141 CO 0.15 -0.79 0.00 -0.90 -1.33 0.00 0.00 177.39 174.52 1ulp n ASP 142 N -2.70 0.00 0.00 -1.43 5.68 -1.22 -2.12 116.55 114.75 1ulp n ASP 142 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1ulp n ASP 142 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 -4.59 -1.12 8.00 -1.09 -4.06 116.55 113.69 1ulp n ASP 143 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 1ulp n ASP 143 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 5.18 0.04 2.53 1.01 0.10 -2.82 120.40 126.44 1ulp s VAL 144 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1ulp s VAL 144 Cb 0.00 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1ulp s VAL 144 CO 0.00 0.09 0.14 0.00 0.00 0.00 0.00 175.10 175.34 1ulp s ALA 145 N 2.05 -0.19 -0.07 5.51 0.00 -1.00 -3.05 121.76 125.01 1ulp s ALA 145 Ca 0.14 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1ulp s ALA 145 Cb -0.16 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1ulp s ALA 145 CO 0.11 -0.36 0.27 -1.17 0.00 0.00 0.00 175.76 174.61 1ulp s LEU 146 N -2.21 0.97 -0.19 0.00 2.96 -1.26 -2.96 118.68 115.98 1ulp s LEU 146 Ca -0.04 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 1ulp s LEU 146 Cb -0.00 1.01 0.15 0.00 0.50 0.00 0.00 46.19 47.84 1ulp s LEU 146 CO -0.05 -0.21 1.12 -0.62 -1.32 0.00 0.00 176.35 175.27 1ulp s ASP 147 N -0.36 -0.25 0.23 3.68 -1.08 -1.26 -4.94 116.67 112.69 1ulp s ASP 147 Ca -0.05 0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 52.19 1ulp s ASP 147 Cb -0.03 0.21 -0.05 0.00 -1.46 0.00 0.00 42.92 41.59 1ulp s ASP 147 CO 0.01 -0.25 0.47 -0.94 0.52 0.00 0.00 175.17 174.98 1ulp s SER 148 N -1.21 6.46 0.00 -0.34 1.04 -1.23 -2.67 113.70 115.74 1ulp s SER 148 Ca 0.03 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1ulp s SER 148 Cb -0.01 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1ulp s SER 148 CO -0.02 -0.09 0.00 1.21 0.98 0.00 0.00 173.24 175.32 1ulp n GLU 149 N -0.55 3.48 -2.70 4.02 4.07 -1.26 -4.96 120.64 122.74 1ulp n GLU 149 Ca -0.02 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.04 1ulp n GLU 149 Cb 0.53 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.02 1ulp n GLU 149 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1ulp n VAL 150 N 0.00 0.26 -2.29 6.31 3.14 -1.26 -4.90 118.33 119.59 1ulp n VAL 150 Ca 0.00 -1.59 0.02 0.00 -2.96 0.00 0.00 64.34 59.81 1ulp n VAL 150 Cb 0.00 1.01 0.01 0.00 -1.06 0.00 0.00 33.84 33.80 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 -1.01 0.00 0.00 1.45 2.13 -1.26 -5.24 120.64 116.71 1ulp n GLU 151 Ca -0.08 -1.56 0.00 0.00 0.66 0.00 0.00 57.16 56.18 1ulp n GLU 151 Cb 0.85 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.39 1ulp n GLU 151 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19