#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 1.93 0.00 0.00 0.01 -1.26 -5.13 113.70 109.24 1ulp s SER 2 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1ulp s SER 2 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1ulp s SER 2 CO 0.00 -0.13 0.00 -0.81 0.41 0.00 0.00 173.24 172.71 1ulp n PRO 3 N 0.69 1.71 -1.11 12.44 -0.04 -1.26 -4.71 135.00 142.72 1ulp n PRO 3 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1ulp n PRO 3 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 2.99 -3.36 0.52 -5.35 -1.26 -4.80 119.36 107.98 1ulp n ILE 4 Ca 0.00 -2.14 -0.18 0.00 -0.27 0.00 0.00 62.75 60.16 1ulp n ILE 4 Cb 0.00 -1.44 0.05 0.00 -1.74 0.00 0.00 39.64 36.52 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 0.55 -1.13 5.14 3.28 0.00 -1.26 -4.02 105.19 107.74 1ulp n GLY 5 Ca 0.38 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.32 0.00 0.00 1.61 4.71 -1.26 -4.78 120.64 117.60 1ulp n GLU 6 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 1ulp n GLU 6 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.03 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ulp n GLY 7 N 0.00 -0.66 2.98 0.62 0.00 -1.24 -3.25 105.19 103.63 1ulp n GLY 7 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.42 1.76 2.61 -2.24 -1.26 -4.73 114.28 106.00 1ulp n THR 8 Ca 0.00 0.80 0.03 0.00 -2.27 0.00 0.00 64.05 62.62 1ulp n THR 8 Cb 0.00 -3.74 0.20 0.00 -2.10 0.00 0.00 70.33 64.69 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 2.02 0.00 -0.94 4.78 3.01 -1.26 -4.04 117.46 121.03 1ulp n PHE 9 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.24 1ulp n PHE 9 Cb 0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.64 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ulp n ASP 10 N -0.62 5.78 0.00 4.37 2.03 -0.42 -3.26 116.55 124.43 1ulp n ASP 10 Ca 0.05 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1ulp n ASP 10 Cb 0.02 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ulp n ASP 11 N 1.44 0.00 0.00 1.67 8.00 -1.25 -4.44 116.55 121.96 1ulp n ASP 11 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1ulp n ASP 11 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 12 N 0.00 2.52 0.00 0.44 0.00 -1.24 -4.93 105.19 101.98 1ulp n GLY 12 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 0.26 0.85 0.00 1.61 -0.04 -1.26 -4.57 135.00 131.85 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 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.55 0.00 -0.46 0.54 4.07 -1.26 -1.78 120.64 121.20 1ulp n GLU 14 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1ulp n GLU 14 Cb 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 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 0.56 3.69 8.31 0.00 -1.26 -5.09 105.19 111.40 1ulp n GLY 15 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.30 0.30 1.61 0.52 -0.73 -4.79 118.94 118.15 1ulp s TRP 16 Ca 0.00 0.15 0.10 0.00 0.02 0.00 0.00 56.10 56.37 1ulp s TRP 16 Cb 0.00 -4.07 -0.05 0.00 -1.15 0.00 0.00 33.47 28.20 1ulp s TRP 16 CO 0.00 -4.37 -0.03 0.54 0.02 0.00 0.00 176.95 173.11 1ulp s VAL 17 N 2.64 2.94 0.02 4.03 0.11 -0.98 -5.00 120.40 124.16 1ulp s VAL 17 Ca 0.77 -2.03 -0.10 0.00 -2.93 0.00 0.00 61.98 57.70 1ulp s VAL 17 Cb -0.43 -2.72 0.01 0.00 -1.53 0.00 0.00 36.38 31.71 1ulp s VAL 17 CO 0.34 -0.31 0.21 0.00 -3.33 0.00 0.00 175.10 172.01 1ulp s ALA 18 N -2.44 -0.46 -0.13 1.54 0.00 -1.26 -2.18 121.76 116.84 1ulp s ALA 18 Ca 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 1ulp s ALA 18 Cb -0.04 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1ulp s ALA 18 CO 0.19 -0.29 0.06 1.52 0.00 0.00 0.00 175.76 177.24 1ulp s TYR 19 N -1.92 0.34 -0.33 0.00 -0.85 -0.65 -4.77 117.35 109.16 1ulp s TYR 19 Ca -0.10 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.26 1ulp s TYR 19 Cb -0.04 -0.70 0.14 0.00 0.38 0.00 0.00 41.96 41.74 1ulp s TYR 19 CO -0.00 -0.41 1.13 0.41 -1.52 0.00 0.00 175.55 175.15 1ulp n GLY 20 N 5.23 -0.25 1.93 5.49 0.00 -1.26 -2.51 105.19 113.82 1ulp n GLY 20 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.54 0.00 -1.39 2.61 -2.24 -1.26 -4.20 114.28 107.26 1ulp n THR 21 Ca -0.22 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 1ulp n THR 21 Cb 0.69 -1.05 0.09 0.00 -2.10 0.00 0.00 70.33 67.97 1ulp n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ulp n ASP 22 N -0.22 6.59 0.00 3.42 5.68 -1.26 -4.94 116.55 125.82 1ulp n ASP 22 Ca -0.11 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.43 1ulp n ASP 22 Cb 0.37 -0.88 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ulp n GLY 23 N -0.94 0.80 3.69 6.12 0.00 -1.26 -4.26 105.19 109.33 1ulp n GLY 23 Ca 0.59 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.34 1.01 1.61 0.04 -1.26 -4.87 135.00 135.87 1ulp s PRO 24 Ca 0.00 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1ulp s PRO 24 Cb 0.00 -3.53 -0.12 0.00 0.04 0.00 0.00 34.50 30.89 1ulp s PRO 24 CO 0.00 -0.47 -0.95 1.47 0.04 0.00 0.00 177.00 177.09 1ulp n LEU 25 N 5.07 -3.54 -4.27 -3.56 -0.00 -1.26 -4.98 117.00 104.45 1ulp n LEU 25 Ca 0.11 0.06 -0.23 0.00 -0.00 0.00 0.00 56.01 55.95 1ulp n LEU 25 Cb 0.45 -0.70 -0.12 0.00 -0.00 0.00 0.00 43.42 43.05 1ulp n LEU 25 CO 0.56 -3.70 -0.51 -1.81 -0.00 0.00 0.00 177.39 171.94 1ulp s ASP 26 N -1.21 2.42 0.00 1.45 1.11 -1.14 -5.01 116.67 114.28 1ulp s ASP 26 Ca 0.42 -0.67 0.00 0.00 0.18 0.00 0.00 52.55 52.47 1ulp s ASP 26 Cb -0.03 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.83 1ulp s ASP 26 CO 0.71 0.04 0.00 0.35 1.18 0.00 0.00 175.17 177.45 1ulp n THR 27 N 1.12 0.00 -3.27 -1.27 -2.24 -1.26 -1.36 114.28 106.01 1ulp n THR 27 Ca -0.20 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1ulp n THR 27 Cb 0.54 -0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.29 -5.38 -3.11 3.42 2.88 -1.26 -1.53 113.62 106.34 1ulp n SER 28 Ca 0.00 -0.39 -0.15 0.00 -1.33 0.00 0.00 58.87 57.00 1ulp n SER 28 Cb 0.26 -4.35 -0.02 0.00 -0.75 0.00 0.00 64.21 59.35 1ulp n SER 28 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ulp n THR 29 N -4.44 -0.21 0.10 2.46 -2.24 -1.26 -4.57 114.28 104.13 1ulp n THR 29 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ulp n THR 29 Cb 0.58 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.76 -0.33 3.25 3.38 0.00 -0.59 -3.86 105.19 106.29 1ulp n GLY 30 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N -1.99 -0.84 -0.34 4.61 0.00 -0.68 -1.30 121.76 121.22 1ulp s ALA 31 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 1ulp s ALA 31 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1ulp s ALA 31 CO 0.00 -0.25 0.73 -1.17 0.00 0.00 0.00 175.76 175.07 1ulp s LEU 32 N -1.14 4.15 -0.04 0.00 0.20 -0.95 -4.01 118.68 116.90 1ulp s LEU 32 Ca -0.12 0.39 0.07 0.00 0.69 0.00 0.00 54.13 55.15 1ulp s LEU 32 Cb -0.05 -2.96 -0.01 0.00 -0.43 0.00 0.00 46.19 42.74 1ulp s LEU 32 CO 0.04 -0.64 -0.24 0.00 -0.29 0.00 0.00 176.35 175.22 1ulp s VAL 34 N -0.35 3.63 -0.93 0.00 -7.23 -1.00 -2.91 120.40 111.62 1ulp s VAL 34 Ca 0.03 -0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 1ulp s VAL 34 Cb -0.11 -2.56 0.13 0.00 0.56 0.00 0.00 36.38 34.40 1ulp s VAL 34 CO 0.01 0.43 1.13 0.00 -0.31 0.00 0.00 175.10 176.36 1ulp s ALA 35 N -0.96 3.36 -0.15 1.32 0.00 -1.26 -2.22 121.76 121.84 1ulp s ALA 35 Ca 0.16 -2.76 -0.29 0.00 0.00 0.00 0.00 51.96 49.07 1ulp s ALA 35 Cb -0.11 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 1ulp s ALA 35 CO 0.06 -2.99 1.40 0.08 0.00 0.00 0.00 175.76 174.32 1ulp s VAL 36 N 2.71 4.03 0.59 0.00 1.01 -0.57 -4.17 120.40 123.99 1ulp s VAL 36 Ca 0.33 1.23 -0.18 0.00 0.00 0.00 0.00 61.98 63.35 1ulp s VAL 36 Cb -0.05 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ulp s VAL 36 CO -0.09 -0.16 1.15 -2.16 0.00 0.00 0.00 175.10 173.84 1ulp s PRO 37 N 3.81 3.09 0.35 2.72 0.04 -1.26 -1.70 135.00 142.05 1ulp s PRO 37 Ca 0.61 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 1ulp s PRO 37 Cb -0.25 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.18 1ulp s PRO 37 CO 0.21 -1.07 0.43 0.00 0.04 0.00 0.00 177.00 176.61 1ulp n ALA 38 N -1.65 -2.20 -3.43 8.56 0.00 -1.26 -2.84 120.51 117.68 1ulp n ALA 38 Ca 0.12 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1ulp n ALA 38 Cb 0.51 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 1.97 -0.40 1.28 0.00 0.00 -0.74 -4.77 105.19 102.52 1ulp n GLY 39 Ca 0.13 1.05 -0.04 0.00 0.00 0.00 0.00 46.02 47.16 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 -0.72 3.07 -1.40 1.61 3.41 -1.13 -4.03 113.62 114.43 1ulp n SER 40 Ca -0.09 -2.49 0.05 0.00 -0.26 0.00 0.00 58.87 56.07 1ulp n SER 40 Cb 0.64 -0.60 0.26 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.03 3.39 -1.49 7.33 0.00 -1.26 0.35 120.51 128.86 1ulp n ALA 41 Ca 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1ulp n ALA 41 Cb 0.80 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.41 0.47 -0.53 0.00 10.64 -1.26 -4.68 117.38 122.43 1ulp n GLN 42 Ca 0.18 0.00 0.42 0.00 -1.83 0.00 0.00 57.00 55.77 1ulp n GLN 42 Cb 0.86 0.00 0.65 0.00 -0.86 0.00 0.00 30.24 30.89 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 0.00 0.00 0.00 2.61 0.18 -1.26 -4.76 117.16 113.93 1ulp n TYR 43 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1ulp n TYR 43 Cb 0.00 -0.39 0.00 0.00 -0.38 0.00 0.00 39.34 38.57 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ulp n GLY 44 N -1.77 1.33 3.96 -7.48 0.00 -1.26 -5.07 105.19 94.90 1ulp n GLY 44 Ca 0.35 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 2.44 0.00 1.61 1.01 -1.08 -4.81 120.40 119.57 1ulp s VAL 45 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ulp s VAL 45 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 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 -2.65 3.25 3.24 4.51 0.00 -1.04 -0.52 105.19 111.98 1ulp n GLY 46 Ca 0.09 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 2.00 0.18 1.61 1.01 -0.05 -1.64 120.40 121.51 1ulp s VAL 47 Ca 0.00 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 61.07 1ulp s VAL 47 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1ulp s VAL 47 CO 0.00 0.55 -0.25 0.68 0.00 0.00 0.00 175.10 176.09 1ulp s VAL 48 N 0.03 2.33 -0.37 2.92 -7.23 -0.92 -1.32 120.40 115.84 1ulp s VAL 48 Ca -0.09 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1ulp s VAL 48 Cb -0.15 -2.10 0.15 0.00 0.56 0.00 0.00 36.38 34.84 1ulp s VAL 48 CO 0.05 -0.08 0.25 -0.22 -0.31 0.00 0.00 175.10 174.79 1ulp s LEU 49 N -2.56 1.00 -0.48 1.32 2.96 -1.16 -2.32 118.68 117.44 1ulp s LEU 49 Ca 0.20 -2.35 -0.27 0.00 -0.22 0.00 0.00 54.13 51.48 1ulp s LEU 49 Cb -0.08 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1ulp s LEU 49 CO 0.09 -0.27 1.89 0.20 -1.32 0.00 0.00 176.35 176.94 1ulp s ASN 50 N 0.86 5.45 0.00 3.68 0.01 -1.26 -2.74 114.94 120.94 1ulp s ASN 50 Ca 0.21 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1ulp s ASN 50 Cb -0.16 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1ulp s ASN 50 CO -0.04 -2.15 0.00 0.61 -1.51 0.00 0.00 177.10 174.01 1ulp n GLY 51 N 5.61 -1.23 3.65 0.66 0.00 -1.16 -5.01 105.19 107.71 1ulp n GLY 51 Ca 0.23 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 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 1.69 -0.49 1.61 1.01 -0.63 -4.28 120.40 119.32 1ulp s VAL 52 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.03 1ulp s VAL 52 Cb 0.00 -2.75 0.19 0.00 0.00 0.00 0.00 36.38 33.82 1ulp s VAL 52 CO 0.00 0.00 0.43 0.00 0.00 0.00 0.00 175.10 175.53 1ulp n ALA 53 N -1.03 2.99 -2.54 5.51 0.00 -0.96 -4.15 120.51 120.32 1ulp n ALA 53 Ca -0.09 -3.58 -0.26 0.00 0.00 0.00 0.00 53.44 49.52 1ulp n ALA 53 Cb 0.67 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.67 2.34 -0.27 0.00 -1.09 -0.74 -4.86 121.20 115.91 1ulp s ILE 54 Ca 0.32 -2.13 -0.13 0.00 -2.23 0.00 0.00 60.65 56.48 1ulp s ILE 54 Cb 0.05 -2.71 0.09 0.00 -1.58 0.00 0.00 42.46 38.32 1ulp s ILE 54 CO -0.16 -0.19 0.64 -1.61 -1.23 0.00 0.00 174.94 172.39 1ulp s GLU 55 N -3.65 0.63 0.00 2.79 0.41 -1.08 -0.83 118.70 116.98 1ulp s GLU 55 Ca 0.33 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 1ulp s GLU 55 Cb 0.02 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.71 1ulp s GLU 55 CO 0.17 -0.17 0.00 -0.85 -0.49 0.00 0.00 175.26 173.93 1ulp n GLU 56 N 4.68 0.00 -2.63 1.61 0.28 0.39 -2.88 120.64 122.09 1ulp n GLU 56 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.40 1ulp n GLU 56 Cb 0.55 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.42 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 1.69 0.45 -1.84 0.00 -1.21 -2.19 107.32 104.22 1ulp s GLY 57 Ca 0.00 -2.88 0.07 0.00 0.00 0.00 0.00 44.72 41.91 1ulp s GLY 57 CO 0.00 2.62 0.24 -1.59 0.00 0.00 0.00 173.10 174.38 1ulp s THR 58 N 3.98 2.14 0.32 0.90 2.01 -0.32 -4.88 115.64 119.79 1ulp s THR 58 Ca 0.51 -1.62 -0.07 0.00 0.31 0.00 0.00 61.69 60.82 1ulp s THR 58 Cb 0.02 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 1ulp s THR 58 CO 0.04 0.00 0.63 -0.89 -0.69 0.00 0.00 174.62 173.71 1ulp s THR 59 N -2.64 4.93 0.32 -0.82 2.01 -1.26 0.27 115.64 118.45 1ulp s THR 59 Ca 0.38 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 1ulp s THR 59 Cb 0.01 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ulp s THR 59 CO 0.22 -0.37 0.74 -0.31 -0.69 0.00 0.00 174.62 174.21 1ulp s TYR 60 N -2.16 -0.05 -0.21 4.92 2.02 -0.23 -3.85 117.35 117.79 1ulp s TYR 60 Ca 0.47 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1ulp s TYR 60 Cb -0.11 0.74 0.11 0.00 -0.40 0.00 0.00 41.96 42.30 1ulp s TYR 60 CO 0.30 -1.36 0.35 0.99 -1.57 0.00 0.00 175.55 174.26 1ulp s THR 61 N -3.29 -0.55 -0.24 -0.71 2.01 -1.17 -1.83 115.64 109.85 1ulp s THR 61 Ca 0.13 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 61 Cb -0.05 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1ulp s THR 61 CO 0.09 -0.04 0.63 -0.22 -0.69 0.00 0.00 174.62 174.39 1ulp s LEU 62 N 2.52 4.08 -0.06 4.42 2.96 -0.92 -4.15 118.68 127.53 1ulp s LEU 62 Ca 0.06 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1ulp s LEU 62 Cb -0.14 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.71 1ulp s LEU 62 CO -0.13 -0.34 -0.08 -0.60 -1.32 0.00 0.00 176.35 173.87 1ulp s ARG 63 N 2.36 1.27 -0.02 1.98 3.52 -1.17 -2.97 118.95 123.91 1ulp s ARG 63 Ca 0.27 -0.25 -0.28 0.00 -0.13 0.00 0.00 55.73 55.34 1ulp s ARG 63 Cb -0.16 -1.16 0.10 0.00 -1.56 0.00 0.00 34.95 32.17 1ulp s ARG 63 CO 0.09 -0.06 0.83 1.52 -0.81 0.00 0.00 175.30 176.87 1ulp s TYR 64 N 0.92 -0.44 -0.35 5.12 -0.85 -1.06 -1.67 117.35 119.03 1ulp s TYR 64 Ca -0.11 0.48 0.04 0.00 -0.52 0.00 0.00 57.07 56.97 1ulp s TYR 64 Cb -0.15 0.50 0.10 0.00 0.38 0.00 0.00 41.96 42.79 1ulp s TYR 64 CO 0.01 -0.56 0.06 0.99 -1.52 0.00 0.00 175.55 174.52 1ulp s THR 65 N -2.44 2.32 0.14 -3.49 2.01 -1.26 0.33 115.64 113.25 1ulp s THR 65 Ca 0.00 -2.36 0.03 0.00 0.31 0.00 0.00 61.69 59.67 1ulp s THR 65 Cb -0.01 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1ulp s THR 65 CO -0.04 -0.61 0.26 0.00 -0.69 0.00 0.00 174.62 173.54 1ulp s ALA 66 N 0.88 3.92 -0.14 7.40 0.00 -1.01 -3.16 121.76 129.65 1ulp s ALA 66 Ca 0.11 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1ulp s ALA 66 Cb -0.19 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.24 1ulp s ALA 66 CO -0.08 0.56 0.37 0.99 0.00 0.00 0.00 175.76 177.60 1ulp s THR 67 N -1.72 -0.01 -0.08 0.00 2.01 -0.66 -2.41 115.64 112.77 1ulp s THR 67 Ca 0.34 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1ulp s THR 67 Cb -0.11 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ulp s THR 67 CO 0.28 0.01 -0.10 0.00 -0.69 0.00 0.00 174.62 174.12 1ulp s ALA 68 N 0.57 1.23 0.59 7.40 0.00 -0.96 0.19 121.76 130.78 1ulp s ALA 68 Ca -0.03 -0.42 0.33 0.00 0.00 0.00 0.00 51.96 51.84 1ulp s ALA 68 Cb -0.05 -0.65 1.27 0.00 0.00 0.00 0.00 23.12 23.70 1ulp s ALA 68 CO -0.03 -0.04 1.52 0.77 0.00 0.00 0.00 175.76 177.98 1ulp h SER 69 N 7.30 0.00 -1.94 0.00 0.02 -1.65 -3.02 113.55 114.27 1ulp h SER 69 Ca -0.31 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.10 1ulp h SER 69 Cb 1.17 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 1ulp h SER 69 CO 0.46 0.00 -0.54 0.28 -1.14 0.00 0.00 176.83 175.89 1ulp s THR 70 N -4.62 3.26 -1.38 -2.27 -1.32 -1.26 -4.39 115.64 103.67 1ulp s THR 70 Ca -0.04 -1.65 -0.13 0.00 -1.21 0.00 0.00 61.69 58.66 1ulp s THR 70 Cb 0.18 -3.02 0.08 0.00 -1.51 0.00 0.00 72.50 68.23 1ulp s THR 70 CO 0.61 -0.22 2.03 -0.67 -2.21 0.00 0.00 174.62 174.16 1ulp n ASP 71 N -1.16 4.39 -4.80 8.08 2.03 -1.26 -3.44 116.55 120.40 1ulp n ASP 71 Ca -0.04 -2.92 -0.38 0.00 0.52 0.00 0.00 54.79 51.97 1ulp n ASP 71 Cb 0.60 -1.62 -0.06 0.00 -0.72 0.00 0.00 41.12 39.32 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 2.58 5.11 -0.56 5.18 0.11 -1.23 -4.86 120.40 126.73 1ulp s VAL 72 Ca 0.46 0.81 0.04 0.00 -2.93 0.00 0.00 61.98 60.36 1ulp s VAL 72 Cb 0.11 -3.72 0.14 0.00 -1.53 0.00 0.00 36.38 31.38 1ulp s VAL 72 CO -0.04 0.50 0.31 -0.89 -3.33 0.00 0.00 175.10 171.65 1ulp s THR 73 N -0.48 2.66 0.00 5.04 2.01 -1.26 -1.43 115.64 122.17 1ulp s THR 73 Ca 0.23 -3.54 0.00 0.00 0.31 0.00 0.00 61.69 58.69 1ulp s THR 73 Cb -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1ulp s THR 73 CO 0.11 -0.85 0.00 1.33 -0.69 0.00 0.00 174.62 174.53 1ulp n VAL 74 N 2.85 0.00 -4.69 3.82 0.24 -1.09 -4.89 118.33 114.57 1ulp n VAL 74 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.14 1ulp n VAL 74 Cb 0.33 -0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.05 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 1.75 1.53 0.06 7.34 0.52 -1.17 -3.04 118.95 125.94 1ulp s ARG 75 Ca 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1ulp s ARG 75 Cb 0.00 -1.35 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 1ulp s ARG 75 CO 0.00 0.20 -0.06 0.00 0.02 0.00 0.00 175.30 175.45 1ulp s ALA 76 N 0.11 0.67 0.00 2.13 0.00 -0.81 -1.26 121.76 122.59 1ulp s ALA 76 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1ulp s ALA 76 Cb -0.11 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1ulp s ALA 76 CO 0.02 -0.16 0.00 1.47 0.00 0.00 0.00 175.76 177.09 1ulp n LEU 77 N 0.76 0.00 -4.09 0.00 -0.00 -1.06 -3.00 117.00 109.61 1ulp n LEU 77 Ca -0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.69 1ulp n LEU 77 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.25 0.00 0.13 -0.69 -0.00 0.00 0.00 177.39 177.07 1ulp s VAL 78 N -4.00 0.00 -0.03 1.47 1.01 -1.26 -3.06 120.40 114.53 1ulp s VAL 78 Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.18 1ulp s VAL 78 Cb 0.00 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.84 1ulp s VAL 78 CO 0.00 0.00 0.86 0.61 0.00 0.00 0.00 175.10 176.57 1ulp n GLY 79 N -0.55 0.31 0.00 4.51 0.00 -1.15 -3.73 105.19 104.59 1ulp n GLY 79 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.62 3.69 -2.73 1.61 7.27 -0.99 -2.15 117.38 123.46 1ulp n GLN 80 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.02 1ulp n GLN 80 Cb 0.38 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.12 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 -2.36 0.00 1.69 5.03 0.55 -4.19 115.26 115.98 1ulp n ASN 81 Ca 0.00 -3.52 0.00 0.00 0.87 0.00 0.00 54.58 51.93 1ulp n ASN 81 Cb 0.00 1.87 0.00 0.00 -1.02 0.00 0.00 39.78 40.63 1ulp n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ulp n GLY 82 N 0.57 3.14 3.26 7.41 0.00 -1.26 -3.00 105.19 115.31 1ulp n GLY 82 Ca 0.06 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.02 1.91 4.61 0.00 -1.26 -1.08 120.51 121.68 1ulp n ALA 83 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ulp n ALA 83 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.30 0.96 -0.92 0.00 -0.04 -1.26 -5.05 135.00 129.99 1ulp n PRO 84 Ca 0.07 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1ulp n PRO 84 Cb 0.48 -1.00 -0.04 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.50 -2.49 -3.53 0.54 4.01 -0.24 -5.05 117.16 109.90 1ulp n TYR 85 Ca 0.00 1.37 0.00 0.00 -0.16 0.00 0.00 57.90 59.11 1ulp n TYR 85 Cb 0.00 -2.27 -0.05 0.00 -0.31 0.00 0.00 39.34 36.71 1ulp n TYR 85 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ulp s GLY 86 N -5.49 0.05 0.12 2.72 0.00 -1.26 -4.99 107.32 98.47 1ulp s GLY 86 Ca 0.00 3.25 0.00 0.00 0.00 0.00 0.00 44.72 47.97 1ulp s GLY 86 CO 0.00 2.90 0.28 -0.51 0.00 0.00 0.00 173.10 175.77 1ulp s THR 87 N 1.73 5.31 0.00 0.90 -4.23 -1.26 -2.34 115.64 115.75 1ulp s THR 87 Ca -0.06 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1ulp s THR 87 Cb -0.04 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1ulp s THR 87 CO -0.15 -0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.26 1ulp n VAL 88 N -0.18 0.00 -4.33 2.29 0.24 -1.24 -4.72 118.33 110.38 1ulp n VAL 88 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 1ulp n VAL 88 Cb 0.53 -0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 32.60 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 -3.01 3.39 -0.46 1.34 1.02 -1.26 -4.82 118.68 114.88 1ulp s LEU 89 Ca 0.00 -0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.14 1ulp s LEU 89 Cb 0.00 -1.95 0.18 0.00 0.02 0.00 0.00 46.19 44.44 1ulp s LEU 89 CO 0.00 0.28 0.55 1.51 0.02 0.00 0.00 176.35 178.71 1ulp s ASP 90 N -1.54 -0.18 0.24 2.29 -4.77 -1.26 -4.08 116.67 107.37 1ulp s ASP 90 Ca 0.19 -2.22 -0.04 0.00 -3.30 0.00 0.00 52.55 47.18 1ulp s ASP 90 Cb -0.11 0.91 -0.03 0.00 -1.09 0.00 0.00 42.92 42.60 1ulp s ASP 90 CO 0.10 -0.11 0.27 0.42 0.70 0.00 0.00 175.17 176.55 1ulp s THR 91 N 0.61 0.00 -0.22 2.11 -4.23 -1.16 -5.08 115.64 107.67 1ulp s THR 91 Ca 0.30 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1ulp s THR 91 Cb 0.00 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1ulp s THR 91 CO -0.11 0.00 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.38 1ulp s SER 92 N -3.15 3.79 0.66 3.99 0.01 -1.26 -1.93 113.70 115.80 1ulp s SER 92 Ca 0.34 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.43 1ulp s SER 92 Cb 0.04 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.75 1ulp s SER 92 CO 0.14 -0.10 1.11 -2.16 0.41 0.00 0.00 173.24 172.64 1ulp s PRO 93 N 1.20 2.83 0.04 12.44 0.04 -1.17 -4.89 135.00 145.48 1ulp s PRO 93 Ca -0.02 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.43 1ulp s PRO 93 Cb -0.16 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ulp s PRO 93 CO -0.09 -1.23 -0.14 0.00 0.04 0.00 0.00 177.00 175.58 1ulp s ALA 94 N -2.37 1.18 0.30 8.56 0.00 -1.26 -2.67 121.76 125.50 1ulp s ALA 94 Ca 0.66 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1ulp s ALA 94 Cb -0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1ulp s ALA 94 CO 0.42 0.23 0.13 -0.51 0.00 0.00 0.00 175.76 176.02 1ulp s LEU 95 N -1.09 1.73 0.00 0.00 1.43 -0.52 -4.84 118.68 115.39 1ulp s LEU 95 Ca 0.02 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1ulp s LEU 95 Cb -0.08 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.21 1ulp s LEU 95 CO 0.01 -0.82 0.00 1.07 0.23 0.00 0.00 176.35 176.84 1ulp n THR 96 N -0.58 0.00 -0.14 5.49 5.66 -1.14 -3.57 114.28 120.00 1ulp n THR 96 Ca -0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1ulp n THR 96 Cb 0.65 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.55 1ulp n THR 96 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ulp n SER 97 N 0.00 3.41 -3.66 1.09 2.88 -1.24 -2.27 113.62 113.83 1ulp n SER 97 Ca 0.00 -2.78 -0.11 0.00 -1.33 0.00 0.00 58.87 54.64 1ulp n SER 97 Cb 0.00 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 62.75 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -1.76 1.71 0.09 -1.46 8.01 -1.26 -5.06 118.70 118.97 1ulp s GLU 98 Ca 0.30 -1.49 -0.31 0.00 0.01 0.00 0.00 54.97 53.48 1ulp s GLU 98 Cb 0.25 0.45 -0.07 0.00 -4.31 0.00 0.00 34.13 30.45 1ulp s GLU 98 CO 0.06 -0.71 1.25 -1.25 0.01 0.00 0.00 175.26 174.63 1ulp s PRO 99 N -3.55 4.41 -0.58 0.39 0.04 -1.26 -4.62 135.00 129.83 1ulp s PRO 99 Ca 0.26 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1ulp s PRO 99 Cb -0.00 -3.31 0.14 0.00 0.04 0.00 0.00 34.50 31.37 1ulp s PRO 99 CO 0.14 -0.29 0.33 1.03 0.04 0.00 0.00 177.00 178.25 1ulp s ARG 100 N 0.91 2.14 0.60 4.56 0.52 -1.01 -5.01 118.95 121.66 1ulp s ARG 100 Ca 0.60 -2.82 -0.18 0.00 -0.52 0.00 0.00 55.73 52.81 1ulp s ARG 100 Cb -0.32 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1ulp s ARG 100 CO 0.30 -1.16 1.15 -0.65 0.02 0.00 0.00 175.30 174.96 1ulp s GLN 101 N -0.60 3.04 -0.03 3.54 -1.52 -1.26 -2.39 119.66 120.44 1ulp s GLN 101 Ca 0.19 1.61 0.03 0.00 -1.95 0.00 0.00 55.36 55.23 1ulp s GLN 101 Cb -0.20 -1.96 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1ulp s GLN 101 CO -0.04 -1.10 -0.10 0.08 -0.25 0.00 0.00 175.29 173.87 1ulp s VAL 102 N -1.91 0.86 -0.27 1.09 1.01 0.15 -4.92 120.40 116.42 1ulp s VAL 102 Ca 0.72 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1ulp s VAL 102 Cb -0.25 -0.76 0.14 0.00 0.00 0.00 0.00 36.38 35.52 1ulp s VAL 102 CO 0.33 0.26 0.36 0.42 0.00 0.00 0.00 175.10 176.47 1ulp s THR 103 N 0.12 -0.54 -0.09 3.92 -4.23 -1.26 -2.56 115.64 111.00 1ulp s THR 103 Ca -0.02 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1ulp s THR 103 Cb -0.08 -0.91 0.04 0.00 1.34 0.00 0.00 72.50 72.89 1ulp s THR 103 CO 0.01 -0.27 0.21 -1.61 -0.54 0.00 0.00 174.62 172.41 1ulp s GLU 104 N 2.48 0.19 0.61 3.99 2.02 -1.16 -5.03 118.70 121.81 1ulp s GLU 104 Ca 0.10 0.42 -0.02 0.00 0.02 0.00 0.00 54.97 55.49 1ulp s GLU 104 Cb -0.14 -0.07 0.04 0.00 0.10 0.00 0.00 34.13 34.07 1ulp s GLU 104 CO -0.25 -0.12 0.87 0.99 0.02 0.00 0.00 175.26 176.77 1ulp s THR 105 N 0.91 2.54 -0.27 3.63 2.01 -1.26 -2.16 115.64 121.04 1ulp s THR 105 Ca -0.07 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1ulp s THR 105 Cb -0.08 -3.02 0.18 0.00 0.01 0.00 0.00 72.50 69.60 1ulp s THR 105 CO -0.05 -0.01 1.31 0.72 -0.69 0.00 0.00 174.62 175.89 1ulp s PHE 106 N -2.96 -0.09 -0.84 4.92 -0.71 -0.76 -4.94 117.98 112.60 1ulp s PHE 106 Ca 0.58 0.14 -0.19 0.00 -1.04 0.00 0.00 56.93 56.43 1ulp s PHE 106 Cb -0.10 0.49 0.13 0.00 -1.21 0.00 0.00 43.02 42.33 1ulp s PHE 106 CO 0.41 -0.08 1.01 0.99 -1.34 0.00 0.00 175.22 176.21 1ulp s THR 107 N -1.08 4.82 -0.29 -4.49 2.01 -1.26 -1.07 115.64 114.27 1ulp s THR 107 Ca 0.07 -1.49 -0.36 0.00 0.31 0.00 0.00 61.69 60.22 1ulp s THR 107 Cb -0.01 -4.69 -0.12 0.00 0.01 0.00 0.00 72.50 67.69 1ulp s THR 107 CO -0.06 -1.39 2.04 0.00 -0.69 0.00 0.00 174.62 174.52 1ulp n ALA 108 N 6.29 0.76 -1.85 7.40 0.00 0.14 -4.63 120.51 128.62 1ulp n ALA 108 Ca 0.15 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 1ulp n ALA 108 Cb 0.48 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 8.33 7.21 -0.66 0.00 3.41 -1.25 -1.18 113.62 129.48 1ulp n SER 109 Ca 0.35 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1ulp n SER 109 Cb 0.21 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 0.07 0.00 -3.75 7.33 0.00 -0.93 -4.78 120.51 118.45 1ulp n ALA 110 Ca 0.52 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.69 1ulp n ALA 110 Cb 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.85 0.53 -0.80 0.00 2.01 -1.26 0.15 115.64 113.42 1ulp s THR 111 Ca 0.00 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1ulp s THR 111 Cb 0.00 -0.95 0.26 0.00 0.01 0.00 0.00 72.50 71.82 1ulp s THR 111 CO 0.00 -0.10 0.97 -1.22 -0.69 0.00 0.00 174.62 173.58 1ulp n TYR 112 N 5.06 3.28 -0.46 4.92 4.01 -0.01 -4.35 117.16 129.61 1ulp n TYR 112 Ca -0.09 -3.68 0.00 0.00 -0.16 0.00 0.00 57.90 53.97 1ulp n TYR 112 Cb 0.48 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1ulp n TYR 112 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ulp n PRO 113 N 1.17 -0.36 -3.17 -0.72 -0.04 -1.26 -1.79 135.00 128.83 1ulp n PRO 113 Ca 0.28 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 113 Cb 0.38 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 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 2.68 -3.22 0.55 0.00 -1.26 -3.19 120.51 113.07 1ulp n ALA 114 Ca 0.00 -3.70 -0.15 0.00 0.00 0.00 0.00 53.44 49.59 1ulp n ALA 114 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.37 -0.40 -1.20 0.00 2.01 -1.26 -4.92 115.64 107.51 1ulp s THR 115 Ca 0.40 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.91 1ulp s THR 115 Cb 0.27 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1ulp s THR 115 CO -0.09 -0.55 1.87 -2.16 -0.69 0.00 0.00 174.62 173.01 1ulp s PRO 116 N 1.03 2.91 -0.42 4.92 0.04 -1.25 -4.29 135.00 137.92 1ulp s PRO 116 Ca 0.23 -1.35 0.05 0.00 0.04 0.00 0.00 61.00 59.97 1ulp s PRO 116 Cb -0.07 -5.32 0.43 0.00 0.04 0.00 0.00 34.50 29.59 1ulp s PRO 116 CO -0.07 -3.48 1.21 0.00 0.04 0.00 0.00 177.00 174.70 1ulp n ALA 117 N 12.71 5.18 -0.92 8.56 0.00 -0.70 -4.99 120.51 140.36 1ulp n ALA 117 Ca 0.45 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1ulp n ALA 117 Cb 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n ALA 118 N -0.57 0.00 0.29 0.00 0.00 -1.26 -2.63 120.51 116.34 1ulp n ALA 118 Ca 0.42 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.03 1ulp n ALA 118 Cb 0.73 0.00 0.92 0.00 0.00 0.00 0.00 19.45 21.10 1ulp n ALA 118 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ulp h ASP 119 N 0.00 0.00 -4.05 0.00 3.58 -1.95 -3.30 116.42 110.70 1ulp h ASP 119 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1ulp h ASP 119 Cb 0.00 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.67 1ulp h ASP 119 CO 0.00 0.00 -0.53 -1.81 -2.88 0.00 0.00 179.24 174.02 1ulp s ASP 120 N -4.58 4.87 0.75 2.28 1.01 -1.08 -5.08 116.67 114.83 1ulp s ASP 120 Ca -0.04 -2.68 0.00 0.00 0.71 0.00 0.00 52.55 50.54 1ulp s ASP 120 Cb 0.10 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.28 1ulp s ASP 120 CO 0.31 -0.35 0.00 -0.81 0.21 0.00 0.00 175.17 174.52 1ulp n PRO 121 N 3.64 -0.20 0.00 8.23 -0.04 -1.25 -1.72 135.00 143.68 1ulp n PRO 121 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ulp n PRO 121 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.97 0.00 -3.81 0.54 0.28 -1.16 -4.43 120.64 111.09 1ulp n GLU 122 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1ulp n GLU 122 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 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 -0.02 0.00 -1.84 0.00 -1.19 0.20 107.32 104.47 1ulp s GLY 123 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1ulp s GLY 123 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1ulp n GLN 124 N 0.46 0.00 -4.35 2.90 10.64 -0.92 -1.60 117.38 124.51 1ulp n GLN 124 Ca -0.18 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.70 1ulp n GLN 124 Cb 0.60 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.86 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 -1.79 2.54 -0.11 -0.39 1.01 -1.11 -2.92 121.20 118.44 1ulp s ILE 125 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 60.65 58.99 1ulp s ILE 125 Cb 0.00 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1ulp s ILE 125 CO 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 174.94 174.91 1ulp s ALA 126 N -1.15 1.46 -0.34 9.38 0.00 -1.17 -2.97 121.76 126.97 1ulp s ALA 126 Ca 0.16 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1ulp s ALA 126 Cb -0.10 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.25 1ulp s ALA 126 CO 0.08 -0.26 0.05 -0.06 0.00 0.00 0.00 175.76 175.57 1ulp s PHE 127 N 1.37 3.65 -0.62 0.00 0.40 -0.43 -2.55 117.98 119.80 1ulp s PHE 127 Ca -0.00 -2.78 -0.22 0.00 -0.60 0.00 0.00 56.93 53.33 1ulp s PHE 127 Cb -0.14 -2.81 0.07 0.00 0.51 0.00 0.00 43.02 40.66 1ulp s PHE 127 CO -0.06 -0.94 0.90 -0.65 0.70 0.00 0.00 175.22 175.18 1ulp s GLN 128 N 0.98 3.14 -0.63 0.44 -1.52 -0.39 -0.87 119.66 120.81 1ulp s GLN 128 Ca 0.07 -0.79 -0.00 0.00 -1.95 0.00 0.00 55.36 52.70 1ulp s GLN 128 Cb -0.20 -4.19 0.43 0.00 -0.22 0.00 0.00 33.01 28.83 1ulp s GLN 128 CO -0.07 -1.68 1.84 1.28 -0.25 0.00 0.00 175.29 176.41 1ulp n LEU 129 N 7.40 7.03 -4.36 2.90 4.77 0.32 -3.04 117.00 132.01 1ulp n LEU 129 Ca -0.04 -4.54 -0.46 0.00 -0.03 0.00 0.00 56.01 50.95 1ulp n LEU 129 Cb 0.45 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1ulp n LEU 129 CO 0.63 1.68 0.67 -0.83 -1.33 0.00 0.00 177.39 178.21 1ulp s GLY 130 N -2.08 2.64 0.00 -0.72 0.00 -1.06 -2.62 107.32 103.49 1ulp s GLY 130 Ca 0.59 -3.34 0.00 0.00 0.00 0.00 0.00 44.72 41.97 1ulp s GLY 130 CO -0.10 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1ulp n GLY 131 N 3.98 -2.04 1.39 0.20 0.00 0.15 -4.61 105.19 104.27 1ulp n GLY 131 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.59 -3.48 -2.40 1.61 3.72 -1.26 -4.86 117.46 111.37 1ulp n PHE 132 Ca 0.00 0.85 -0.22 0.00 -0.05 0.00 0.00 57.45 58.03 1ulp n PHE 132 Cb 0.00 2.32 0.13 0.00 -0.94 0.00 0.00 39.48 40.99 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 -3.06 0.96 0.00 4.37 2.88 -1.26 -4.66 113.62 112.85 1ulp n SER 133 Ca 0.00 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1ulp n SER 133 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 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 -3.12 0.01 -1.30 -1.46 0.00 -1.26 -4.61 120.51 108.78 1ulp n ALA 134 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1ulp n ALA 134 Cb 0.53 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.07 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ulp n ASP 135 N 0.00 0.15 -4.69 0.00 9.92 -1.26 -1.80 116.55 118.87 1ulp n ASP 135 Ca 0.00 0.63 -0.57 0.00 -0.53 0.00 0.00 54.79 54.33 1ulp n ASP 135 Cb 0.00 -1.38 -0.07 0.00 -0.64 0.00 0.00 41.12 39.03 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ulp n ALA 136 N -2.60 -0.40 -3.00 2.24 0.00 -1.26 -4.60 120.51 110.89 1ulp n ALA 136 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1ulp n ALA 136 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 4.81 0.00 -3.83 0.00 2.14 -0.69 -4.76 117.44 115.10 1ulp n TRP 137 Ca 0.25 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.75 1ulp n TRP 137 Cb 0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.61 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N 0.74 0.00 0.25 -1.67 -1.32 -1.26 -1.51 115.64 110.87 1ulp s THR 138 Ca 0.00 -0.94 0.11 0.00 -1.21 0.00 0.00 61.69 59.65 1ulp s THR 138 Cb 0.00 -1.95 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 1ulp s THR 138 CO 0.00 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.46 1ulp s LEU 139 N -2.91 2.57 -0.36 9.08 1.02 -0.94 -3.74 118.68 123.39 1ulp s LEU 139 Ca 0.11 -1.01 0.04 0.00 0.02 0.00 0.00 54.13 53.28 1ulp s LEU 139 Cb -0.06 -0.99 0.16 0.00 0.02 0.00 0.00 46.19 45.33 1ulp s LEU 139 CO 0.06 -0.01 0.42 0.00 0.02 0.00 0.00 176.35 176.84 1ulp n LEU 141 N 4.49 0.00 0.00 0.00 4.77 -0.48 -1.66 117.00 124.13 1ulp n LEU 141 Ca 0.09 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1ulp n LEU 141 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ulp n LEU 141 CO 0.05 -1.00 0.00 -0.90 -1.33 0.00 0.00 177.39 174.22 1ulp n ASP 142 N -3.08 0.00 0.00 -1.43 5.68 -1.19 -2.24 116.55 114.29 1ulp n ASP 142 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1ulp n ASP 142 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 -1.26 -4.17 116.55 113.45 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 4.73 0.16 2.53 1.01 -1.22 -3.01 120.40 124.61 1ulp s VAL 144 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1ulp s VAL 144 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1ulp s VAL 144 CO 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 175.10 174.56 1ulp s ALA 145 N 3.08 1.15 -0.16 5.51 0.00 -0.67 -3.72 121.76 126.95 1ulp s ALA 145 Ca 0.28 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 1ulp s ALA 145 Cb -0.13 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.79 1ulp s ALA 145 CO 0.20 -0.42 0.42 -1.17 0.00 0.00 0.00 175.76 174.79 1ulp s LEU 146 N -3.13 0.36 0.02 0.00 2.96 -1.26 -3.04 118.68 114.59 1ulp s LEU 146 Ca 0.26 0.86 -0.22 0.00 -0.22 0.00 0.00 54.13 54.81 1ulp s LEU 146 Cb 0.07 1.45 0.05 0.00 0.50 0.00 0.00 46.19 48.26 1ulp s LEU 146 CO 0.04 -0.15 0.49 -1.81 -1.32 0.00 0.00 176.35 173.60 1ulp s ASP 147 N 0.27 -0.40 -0.27 3.68 1.01 -1.26 -4.88 116.67 114.82 1ulp s ASP 147 Ca -0.00 0.23 -0.10 0.00 0.71 0.00 0.00 52.55 53.38 1ulp s ASP 147 Cb -0.03 0.45 -0.04 0.00 1.01 0.00 0.00 42.92 44.31 1ulp s ASP 147 CO 0.00 -0.63 0.16 -0.94 0.21 0.00 0.00 175.17 173.97 1ulp s SER 148 N -1.70 5.78 0.00 0.27 1.04 -1.26 -3.02 113.70 114.82 1ulp s SER 148 Ca -0.08 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ulp s SER 148 Cb -0.01 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1ulp s SER 148 CO 0.02 -0.05 0.00 -0.62 0.98 0.00 0.00 173.24 173.57 1ulp n GLU 149 N 5.02 2.26 -5.24 4.02 1.02 -1.25 -4.97 120.64 121.50 1ulp n GLU 149 Ca -0.15 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.68 1ulp n GLU 149 Cb 0.52 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.77 1ulp n GLU 149 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ulp s VAL 150 N 1.35 2.01 -0.11 2.62 0.11 -1.26 -4.58 120.40 120.54 1ulp s VAL 150 Ca 0.00 -1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 57.91 1ulp s VAL 150 Cb 0.00 -1.69 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1ulp s VAL 150 CO 0.00 0.56 0.27 -0.70 -3.33 0.00 0.00 175.10 171.90 1ulp s GLU 151 N -0.25 0.30 0.00 1.54 2.12 -1.26 -5.16 118.70 116.00 1ulp s GLU 151 Ca -0.01 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.75 1ulp s GLU 151 Cb -0.13 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1ulp s GLU 151 CO 0.03 -0.07 0.00 -0.11 -0.54 0.00 0.00 175.26 174.57