#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 3.61 0.00 0.00 1.04 -1.26 -5.04 113.70 112.05 1ulp s SER 2 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1ulp s SER 2 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1ulp s SER 2 CO 0.00 0.22 0.00 -0.81 0.98 0.00 0.00 173.24 173.63 1ulp n PRO 3 N 3.15 1.65 0.03 4.02 -0.04 -1.26 -4.71 135.00 137.83 1ulp n PRO 3 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1ulp n PRO 3 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.73 0.00 0.52 -5.35 -1.26 -4.97 119.36 108.91 1ulp n ILE 4 Ca 0.00 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1ulp n ILE 4 Cb 0.00 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 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 1.33 3.38 3.55 3.28 0.00 -1.26 -4.88 105.19 110.58 1ulp n GLY 5 Ca -0.08 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.68 0.00 1.61 2.13 -1.26 -3.35 120.64 120.45 1ulp n GLU 6 Ca 0.00 -0.41 0.00 0.00 0.66 0.00 0.00 57.16 57.41 1ulp n GLU 6 Cb 0.00 -3.29 0.00 0.00 0.27 0.00 0.00 31.44 28.42 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 6.39 0.72 0.21 8.31 0.00 -1.26 -5.02 105.19 114.54 1ulp n GLY 7 Ca 0.46 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.22 2.61 -2.24 -1.21 -4.40 114.28 107.82 1ulp n THR 8 Ca 0.00 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 1ulp n THR 8 Cb 0.00 -1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 66.97 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 -1.32 -0.03 0.10 4.78 3.72 -1.11 -1.09 117.46 122.51 1ulp n PHE 9 Ca 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.39 1ulp n PHE 9 Cb 0.03 -2.54 0.14 0.00 -0.94 0.00 0.00 39.48 36.17 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 -0.95 3.20 0.00 4.37 5.75 -1.26 -1.95 116.55 125.71 1ulp n ASP 10 Ca -0.09 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1ulp n ASP 10 Cb 0.55 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ulp n ASP 11 N 0.08 0.00 -3.52 -1.12 9.92 -1.26 -4.82 116.55 115.83 1ulp n ASP 11 Ca 0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.29 1ulp n ASP 11 Cb 0.81 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.24 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ulp s GLY 12 N 0.00 -0.53 0.00 0.44 0.00 -1.26 -4.63 107.32 101.34 1ulp s GLY 12 Ca 0.00 0.89 0.19 0.00 0.00 0.00 0.00 44.72 45.80 1ulp s GLY 12 CO 0.00 0.56 1.57 -1.55 0.00 0.00 0.00 173.10 173.68 1ulp n PRO 13 N 0.50 0.42 0.00 2.90 -0.04 -1.26 -2.75 135.00 134.77 1ulp n PRO 13 Ca -0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ulp n PRO 13 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.16 0.00 0.00 0.54 4.71 -1.26 -1.74 120.64 121.73 1ulp n GLU 14 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1ulp n GLU 14 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.54 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 0.00 3.70 0.62 0.00 -1.26 -5.06 105.19 103.19 1ulp n GLY 15 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.66 1.63 -4.29 1.61 7.02 -0.71 -4.82 117.44 117.22 1ulp n TRP 16 Ca 0.00 1.02 -0.29 0.00 -1.02 0.00 0.00 57.50 57.21 1ulp n TRP 16 Cb 0.03 -2.25 -0.11 0.00 -2.42 0.00 0.00 31.31 26.56 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 2.55 2.98 -0.09 -0.99 -7.23 -0.65 -4.93 120.40 112.03 1ulp s VAL 17 Ca 1.01 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1ulp s VAL 17 Cb -1.38 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1ulp s VAL 17 CO 0.75 0.06 -0.08 0.00 -0.31 0.00 0.00 175.10 175.52 1ulp s ALA 18 N -1.26 1.21 0.21 1.32 0.00 -1.26 -0.61 121.76 121.37 1ulp s ALA 18 Ca 0.20 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.78 1ulp s ALA 18 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1ulp s ALA 18 CO 0.12 -0.27 0.09 1.52 0.00 0.00 0.00 175.76 177.21 1ulp s TYR 19 N 1.43 2.96 -0.11 0.00 -0.85 -0.24 -4.58 117.35 115.96 1ulp s TYR 19 Ca -0.01 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 1ulp s TYR 19 Cb -0.13 -1.38 0.00 0.00 0.38 0.00 0.00 41.96 40.83 1ulp s TYR 19 CO -0.05 0.54 0.00 0.41 -1.52 0.00 0.00 175.55 174.93 1ulp n GLY 20 N -0.62 0.33 0.00 5.49 0.00 -1.26 -2.44 105.19 106.69 1ulp n GLY 20 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.94 0.00 -3.73 2.61 -2.24 -1.26 -4.50 114.28 101.22 1ulp n THR 21 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1ulp n THR 21 Cb 0.48 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1ulp n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulp s ASP 22 N 0.81 6.28 0.17 3.42 -1.08 -1.23 -4.98 116.67 120.06 1ulp s ASP 22 Ca 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 1ulp s ASP 22 Cb 0.00 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 1ulp s ASP 22 CO 0.00 0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.51 1ulp n GLY 23 N 3.20 0.12 0.00 2.66 0.00 -1.26 -4.73 105.19 105.18 1ulp n GLY 23 Ca -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.21 1.07 -2.64 1.61 -0.04 -1.26 -5.01 135.00 128.52 1ulp n PRO 24 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 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 -0.51 -0.04 0.00 0.00 175.50 174.95 1ulp s LEU 25 N 0.00 3.61 -0.12 1.53 1.43 -1.26 -4.80 118.68 119.07 1ulp s LEU 25 Ca 0.00 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1ulp s LEU 25 Cb 0.00 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1ulp s LEU 25 CO 0.00 -0.61 -0.12 -0.62 0.23 0.00 0.00 176.35 175.23 1ulp s ASP 26 N -4.12 2.36 0.00 2.29 2.15 -1.11 -5.02 116.67 113.22 1ulp s ASP 26 Ca 0.48 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1ulp s ASP 26 Cb -0.10 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.50 1ulp s ASP 26 CO 0.45 -0.04 0.00 0.35 -0.17 0.00 0.00 175.17 175.76 1ulp n THR 27 N 4.53 0.00 -4.05 1.71 -2.24 -1.26 -1.37 114.28 111.60 1ulp n THR 27 Ca -0.17 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 1ulp n THR 27 Cb 0.51 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.57 -1.70 0.00 3.42 7.64 -1.26 -4.45 113.62 116.70 1ulp n SER 28 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1ulp n SER 28 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 29 N -4.33 0.00 0.00 0.44 5.66 -1.26 -4.99 114.28 109.80 1ulp n THR 29 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1ulp n THR 29 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.23 1.51 3.18 1.09 0.00 -1.23 -4.94 105.19 104.58 1ulp n GLY 30 Ca 0.00 0.00 -0.11 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 -1.85 -0.92 -0.41 4.61 0.00 -0.82 -4.33 121.76 118.02 1ulp s ALA 31 Ca 0.00 1.32 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1ulp s ALA 31 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1ulp s ALA 31 CO 0.00 -0.57 2.22 -1.17 0.00 0.00 0.00 175.76 176.24 1ulp s LEU 32 N 2.18 3.41 -0.42 0.00 2.96 -0.29 -4.55 118.68 121.97 1ulp s LEU 32 Ca -0.03 1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 55.03 1ulp s LEU 32 Cb -0.11 -2.89 0.09 0.00 0.50 0.00 0.00 46.19 43.77 1ulp s LEU 32 CO -0.11 -2.44 0.26 0.00 -1.32 0.00 0.00 176.35 172.73 1ulp s VAL 34 N 1.37 4.80 -0.52 0.00 -7.23 -0.23 -2.73 120.40 115.84 1ulp s VAL 34 Ca 0.04 1.06 -0.22 0.00 -1.81 0.00 0.00 61.98 61.05 1ulp s VAL 34 Cb -0.23 -3.83 0.05 0.00 0.56 0.00 0.00 36.38 32.93 1ulp s VAL 34 CO 0.00 0.45 0.80 0.00 -0.31 0.00 0.00 175.10 176.04 1ulp s ALA 35 N -1.24 3.26 -0.22 1.32 0.00 -1.26 -2.43 121.76 121.20 1ulp s ALA 35 Ca 0.32 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1ulp s ALA 35 Cb -0.18 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1ulp s ALA 35 CO 0.19 -2.20 0.84 0.08 0.00 0.00 0.00 175.76 174.67 1ulp s VAL 36 N 3.37 4.84 0.22 0.00 1.01 -0.73 -3.51 120.40 125.60 1ulp s VAL 36 Ca 0.24 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 1ulp s VAL 36 Cb -0.15 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1ulp s VAL 36 CO 0.17 -0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.17 1ulp s PRO 37 N 2.63 4.60 1.04 2.72 0.04 -1.26 -2.78 135.00 141.99 1ulp s PRO 37 Ca 0.36 1.77 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1ulp s PRO 37 Cb -0.16 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1ulp s PRO 37 CO 0.09 0.11 -0.79 0.00 0.04 0.00 0.00 177.00 176.44 1ulp n ALA 38 N 1.95 -4.67 -4.09 8.56 0.00 -1.26 -2.72 120.51 118.28 1ulp n ALA 38 Ca 0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 53.44 51.85 1ulp n ALA 38 Cb 0.45 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 2.83 -0.23 1.65 0.00 0.00 -0.69 -4.77 105.19 103.98 1ulp n GLY 39 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1ulp n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ulp n SER 40 N -2.90 5.04 -0.19 1.61 7.64 -1.10 -4.82 113.62 118.90 1ulp n SER 40 Ca -0.25 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1ulp n SER 40 Cb 0.66 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp n ALA 41 N 0.37 0.00 0.00 -0.43 0.00 -1.26 -1.92 120.51 117.27 1ulp n ALA 41 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ulp n ALA 41 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 0.00 -0.13 0.00 0.00 -1.26 -0.26 117.38 115.73 1ulp n GLN 42 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.00 57.10 1ulp n GLN 42 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 30.24 30.42 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ulp n TYR 43 N 13.70 0.37 0.00 2.61 0.18 -1.26 -4.75 117.16 128.00 1ulp n TYR 43 Ca 0.00 0.45 0.00 0.00 1.88 0.00 0.00 57.90 60.23 1ulp n TYR 43 Cb 0.00 -0.86 0.00 0.00 -0.38 0.00 0.00 39.34 38.10 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 -1.13 -0.95 2.87 -7.48 0.00 0.64 -4.96 105.19 94.17 1ulp n GLY 44 Ca 0.12 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 1ulp n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ulp n VAL 45 N 0.53 0.00 0.00 1.61 0.31 -1.08 -4.71 118.33 114.99 1ulp n VAL 45 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 64.34 63.29 1ulp n VAL 45 Cb 0.00 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1ulp n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ulp n GLY 46 N -0.89 -0.02 2.80 2.92 0.00 -1.02 0.14 105.19 109.12 1ulp n GLY 46 Ca 0.12 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 0.01 -0.00 1.61 1.01 -0.24 -1.08 120.40 119.71 1ulp s VAL 47 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1ulp s VAL 47 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1ulp s VAL 47 CO 0.00 0.08 -0.20 0.68 0.00 0.00 0.00 175.10 175.66 1ulp s VAL 48 N 0.83 1.60 -0.31 2.92 -7.23 0.22 -1.32 120.40 117.10 1ulp s VAL 48 Ca -0.07 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1ulp s VAL 48 Cb -0.10 -1.35 0.10 0.00 0.56 0.00 0.00 36.38 35.59 1ulp s VAL 48 CO -0.02 0.38 0.08 -0.22 -0.31 0.00 0.00 175.10 175.01 1ulp s LEU 49 N -0.65 2.98 0.16 1.32 2.96 -1.13 -1.64 118.68 122.67 1ulp s LEU 49 Ca 0.08 -1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 51.93 1ulp s LEU 49 Cb -0.08 -1.10 -0.07 0.00 0.50 0.00 0.00 46.19 45.44 1ulp s LEU 49 CO -0.00 -0.40 1.01 0.20 -1.32 0.00 0.00 176.35 175.85 1ulp s ASN 50 N 1.40 7.43 0.00 3.68 0.02 -1.26 -2.39 114.94 123.82 1ulp s ASN 50 Ca 0.09 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 53.87 1ulp s ASN 50 Cb -0.18 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.49 1ulp s ASN 50 CO -0.19 -0.09 0.00 0.61 0.02 0.00 0.00 177.10 177.45 1ulp n GLY 51 N 2.03 0.46 3.37 0.66 0.00 -1.23 -5.00 105.19 105.49 1ulp n GLY 51 Ca 0.02 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 1.70 -0.66 1.61 1.01 -1.25 -4.39 120.40 118.43 1ulp s VAL 52 Ca 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 59.85 1ulp s VAL 52 Cb 0.00 -2.19 0.19 0.00 0.00 0.00 0.00 36.38 34.38 1ulp s VAL 52 CO 0.00 -0.49 0.54 0.00 0.00 0.00 0.00 175.10 175.15 1ulp n ALA 53 N -0.45 3.49 -2.42 5.51 0.00 -1.26 -4.57 120.51 120.80 1ulp n ALA 53 Ca -0.07 -4.42 -0.29 0.00 0.00 0.00 0.00 53.44 48.66 1ulp n ALA 53 Cb 0.61 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.56 2.42 -0.15 0.00 -1.09 -1.17 -4.88 121.20 114.78 1ulp s ILE 54 Ca 0.29 -1.77 -0.10 0.00 -2.23 0.00 0.00 60.65 56.85 1ulp s ILE 54 Cb 0.02 -2.10 0.05 0.00 -1.58 0.00 0.00 42.46 38.84 1ulp s ILE 54 CO -0.13 0.04 0.37 -1.83 -1.23 0.00 0.00 174.94 172.15 1ulp s GLU 55 N -2.24 0.37 0.00 2.79 -1.05 -1.24 -0.84 118.70 116.50 1ulp s GLU 55 Ca 0.17 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 1ulp s GLU 55 Cb -0.10 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1ulp s GLU 55 CO 0.08 -0.13 0.00 -0.85 0.95 0.00 0.00 175.26 175.31 1ulp n GLU 56 N 3.82 0.00 -2.82 -4.83 0.28 0.52 -3.14 120.64 114.46 1ulp n GLU 56 Ca -0.20 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.36 1ulp n GLU 56 Cb 0.56 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.41 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 1.90 0.43 -1.84 0.00 -1.22 -2.04 107.32 104.55 1ulp s GLY 57 Ca 0.00 -2.85 0.07 0.00 0.00 0.00 0.00 44.72 41.94 1ulp s GLY 57 CO 0.00 2.24 0.28 -1.59 0.00 0.00 0.00 173.10 174.03 1ulp s THR 58 N 3.02 2.36 0.35 0.90 2.01 -0.68 -4.88 115.64 118.72 1ulp s THR 58 Ca 0.41 -1.53 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 1ulp s THR 58 Cb -0.02 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1ulp s THR 58 CO -0.05 0.00 0.65 -0.89 -0.69 0.00 0.00 174.62 173.64 1ulp s THR 59 N -2.57 4.94 0.36 -0.82 2.01 -1.26 -0.32 115.64 117.98 1ulp s THR 59 Ca 0.43 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 1ulp s THR 59 Cb 0.00 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1ulp s THR 59 CO 0.24 -0.46 0.77 -0.31 -0.69 0.00 0.00 174.62 174.18 1ulp s TYR 60 N -2.26 0.06 -0.22 4.92 2.02 -0.59 -3.82 117.35 117.46 1ulp s TYR 60 Ca 0.46 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1ulp s TYR 60 Cb -0.10 0.81 0.11 0.00 -0.40 0.00 0.00 41.96 42.38 1ulp s TYR 60 CO 0.32 -1.50 0.34 0.99 -1.57 0.00 0.00 175.55 174.13 1ulp s THR 61 N -2.64 -0.54 -0.18 -0.71 2.01 -1.18 -2.17 115.64 110.23 1ulp s THR 61 Ca 0.15 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1ulp s THR 61 Cb -0.05 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1ulp s THR 61 CO 0.11 -0.09 0.59 -0.22 -0.69 0.00 0.00 174.62 174.32 1ulp s LEU 62 N 2.50 4.16 -0.23 4.42 2.96 -0.79 -3.80 118.68 127.90 1ulp s LEU 62 Ca 0.09 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1ulp s LEU 62 Cb -0.15 -2.84 0.07 0.00 0.50 0.00 0.00 46.19 43.77 1ulp s LEU 62 CO -0.14 -0.22 0.03 -0.13 -1.32 0.00 0.00 176.35 174.57 1ulp s ARG 63 N 1.68 0.93 0.01 1.98 0.52 -1.15 -2.91 118.95 120.01 1ulp s ARG 63 Ca 0.28 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 1ulp s ARG 63 Cb -0.16 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.10 1ulp s ARG 63 CO 0.11 -0.72 0.22 1.52 0.02 0.00 0.00 175.30 176.44 1ulp s TYR 64 N 1.67 -0.03 -0.48 -0.53 -0.85 -1.04 -2.77 117.35 113.32 1ulp s TYR 64 Ca 0.01 -0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.55 1ulp s TYR 64 Cb -0.18 0.01 0.12 0.00 0.38 0.00 0.00 41.96 42.30 1ulp s TYR 64 CO -0.12 -0.37 0.21 0.99 -1.52 0.00 0.00 175.55 174.74 1ulp s THR 65 N -1.77 2.55 0.16 -3.49 2.01 -1.23 0.64 115.64 114.51 1ulp s THR 65 Ca -0.11 -3.08 -0.15 0.00 0.31 0.00 0.00 61.69 58.66 1ulp s THR 65 Cb -0.05 -2.79 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1ulp s THR 65 CO 0.01 -0.75 0.58 0.00 -0.69 0.00 0.00 174.62 173.76 1ulp s ALA 66 N -0.00 3.55 -0.19 7.40 0.00 -0.86 -3.50 121.76 128.16 1ulp s ALA 66 Ca 0.16 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 1ulp s ALA 66 Cb -0.24 -2.57 0.10 0.00 0.00 0.00 0.00 23.12 20.41 1ulp s ALA 66 CO -0.02 0.44 0.36 0.99 0.00 0.00 0.00 175.76 177.53 1ulp s THR 67 N -1.47 -0.57 -0.11 0.00 2.01 -0.75 -2.23 115.64 112.52 1ulp s THR 67 Ca 0.38 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.45 1ulp s THR 67 Cb -0.15 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1ulp s THR 67 CO 0.19 0.01 0.07 0.00 -0.69 0.00 0.00 174.62 174.21 1ulp s ALA 68 N 2.54 3.58 0.61 7.40 0.00 -1.14 -1.48 121.76 133.27 1ulp s ALA 68 Ca 0.03 -0.72 0.26 0.00 0.00 0.00 0.00 51.96 51.53 1ulp s ALA 68 Cb -0.13 -1.77 1.21 0.00 0.00 0.00 0.00 23.12 22.43 1ulp s ALA 68 CO -0.13 0.55 1.64 0.66 0.00 0.00 0.00 175.76 178.49 1ulp h SER 69 N 5.27 0.00 -1.37 0.00 4.64 -1.77 -2.88 113.55 117.45 1ulp h SER 69 Ca -0.51 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.22 1ulp h SER 69 Cb 1.21 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 1ulp h SER 69 CO 0.58 0.00 -0.50 0.28 -0.87 0.00 0.00 176.83 176.32 1ulp s THR 70 N -4.43 2.05 -1.35 2.95 -1.32 -1.26 -4.03 115.64 108.25 1ulp s THR 70 Ca -0.03 -1.77 -0.11 0.00 -1.21 0.00 0.00 61.69 58.57 1ulp s THR 70 Cb 0.13 -2.82 0.12 0.00 -1.51 0.00 0.00 72.50 68.42 1ulp s THR 70 CO 0.44 0.00 2.02 0.47 -2.21 0.00 0.00 174.62 175.34 1ulp n ASP 71 N -1.24 4.78 -4.84 8.08 9.92 -1.26 -2.57 116.55 129.42 1ulp n ASP 71 Ca -0.04 -3.02 -0.37 0.00 -0.53 0.00 0.00 54.79 50.83 1ulp n ASP 71 Cb 0.65 -1.54 -0.06 0.00 -0.64 0.00 0.00 41.12 39.53 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ulp s VAL 72 N 1.31 5.24 -0.52 2.53 0.11 -1.09 -4.85 120.40 123.13 1ulp s VAL 72 Ca 0.43 0.57 0.04 0.00 -2.93 0.00 0.00 61.98 60.08 1ulp s VAL 72 Cb 0.11 -3.58 0.13 0.00 -1.53 0.00 0.00 36.38 31.51 1ulp s VAL 72 CO -0.03 0.57 0.27 -0.89 -3.33 0.00 0.00 175.10 171.69 1ulp s THR 73 N -0.89 2.50 0.00 5.04 2.01 -1.26 -0.58 115.64 122.45 1ulp s THR 73 Ca 0.20 -3.31 0.00 0.00 0.31 0.00 0.00 61.69 58.88 1ulp s THR 73 Cb -0.14 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1ulp s THR 73 CO 0.09 -0.82 0.00 1.33 -0.69 0.00 0.00 174.62 174.53 1ulp n VAL 74 N 3.08 0.00 -4.46 3.82 0.24 -1.21 -4.90 118.33 114.90 1ulp n VAL 74 Ca 0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 1ulp n VAL 74 Cb 0.32 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.56 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 2.03 1.05 0.01 7.34 0.52 -1.17 -3.63 118.95 125.10 1ulp s ARG 75 Ca 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1ulp s ARG 75 Cb 0.00 -1.07 -0.01 0.00 0.52 0.00 0.00 34.95 34.39 1ulp s ARG 75 CO 0.00 0.27 0.07 0.00 0.02 0.00 0.00 175.30 175.66 1ulp s ALA 76 N -0.73 -0.13 0.00 2.13 0.00 -1.18 -1.25 121.76 120.60 1ulp s ALA 76 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1ulp s ALA 76 Cb -0.07 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ulp s ALA 76 CO 0.01 -0.21 0.00 1.47 0.00 0.00 0.00 175.76 177.03 1ulp n LEU 77 N 1.38 0.00 -4.00 0.00 -0.00 -1.00 -3.10 117.00 110.27 1ulp n LEU 77 Ca -0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.69 1ulp n LEU 77 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 1ulp n LEU 77 CO 0.21 0.00 0.08 -0.69 -0.00 0.00 0.00 177.39 176.99 1ulp s VAL 78 N -3.04 0.02 -0.04 1.47 1.01 -1.25 -2.42 120.40 116.14 1ulp s VAL 78 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 1ulp s VAL 78 Cb 0.00 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.33 1ulp s VAL 78 CO 0.00 -0.07 1.17 0.61 0.00 0.00 0.00 175.10 176.81 1ulp n GLY 79 N -0.33 0.22 3.63 4.51 0.00 -1.18 -3.57 105.19 108.48 1ulp n GLY 79 Ca -0.03 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.01 3.07 -0.37 1.61 2.00 -1.15 -2.35 119.66 120.45 1ulp s GLN 80 Ca 0.28 -0.45 0.03 0.00 -2.00 0.00 0.00 55.36 53.21 1ulp s GLN 80 Cb -0.01 -2.78 0.11 0.00 0.80 0.00 0.00 33.01 31.13 1ulp s GLN 80 CO -0.01 0.61 0.12 -0.80 -0.50 0.00 0.00 175.29 174.70 1ulp s ASN 81 N -0.64 4.40 0.00 6.67 0.01 0.13 -4.34 114.94 121.17 1ulp s ASN 81 Ca 0.10 -2.22 0.00 0.00 -0.71 0.00 0.00 52.86 50.03 1ulp s ASN 81 Cb -0.12 -1.38 0.00 0.00 0.41 0.00 0.00 41.25 40.16 1ulp s ASN 81 CO 0.02 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 1ulp n GLY 82 N 4.14 0.63 1.67 0.66 0.00 -1.26 0.21 105.19 111.24 1ulp n GLY 82 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.84 4.61 0.00 -1.26 -4.73 120.51 117.99 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 -1.51 1.50 -1.28 0.00 -0.04 -1.26 -4.96 135.00 127.44 1ulp n PRO 84 Ca 0.00 -0.42 0.17 0.00 -0.04 0.00 0.00 63.50 63.22 1ulp n PRO 84 Cb 0.18 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.05 -3.46 0.00 0.54 4.01 -1.26 -5.05 117.16 111.99 1ulp n TYR 85 Ca 0.04 1.60 0.00 0.00 -0.16 0.00 0.00 57.90 59.37 1ulp n TYR 85 Cb 0.35 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.42 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 -3.81 3.05 3.89 2.72 0.00 -1.26 -4.66 105.19 105.11 1ulp n GLY 86 Ca 0.01 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 5.29 0.00 2.61 -4.23 -1.26 -2.93 115.64 115.12 1ulp s THR 87 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1ulp s THR 87 Cb 0.00 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1ulp s THR 87 CO 0.00 0.30 0.00 1.33 -0.54 0.00 0.00 174.62 175.71 1ulp n VAL 88 N 0.89 0.00 -4.06 2.29 0.24 -1.23 -4.80 118.33 111.66 1ulp n VAL 88 Ca -0.09 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 1ulp n VAL 88 Cb 0.52 0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 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 -2.28 3.93 -0.44 1.34 1.02 -1.26 -4.83 118.68 116.17 1ulp s LEU 89 Ca 0.00 0.21 0.05 0.00 0.02 0.00 0.00 54.13 54.41 1ulp s LEU 89 Cb 0.00 -1.96 0.17 0.00 0.02 0.00 0.00 46.19 44.42 1ulp s LEU 89 CO 0.00 0.29 0.51 -0.62 0.02 0.00 0.00 176.35 176.56 1ulp s ASP 90 N -0.34 0.07 0.35 2.29 -1.08 -1.26 -3.95 116.67 112.74 1ulp s ASP 90 Ca 0.09 -2.01 0.07 0.00 -0.52 0.00 0.00 52.55 50.18 1ulp s ASP 90 Cb -0.12 0.87 -0.03 0.00 -1.46 0.00 0.00 42.92 42.18 1ulp s ASP 90 CO 0.02 -0.15 0.25 0.35 0.52 0.00 0.00 175.17 176.16 1ulp n THR 91 N 3.38 0.00 -4.07 1.71 -2.24 -1.18 -5.09 114.28 106.79 1ulp n THR 91 Ca 0.19 -2.41 -0.32 0.00 -2.27 0.00 0.00 64.05 59.24 1ulp n THR 91 Cb 0.51 1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 69.72 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 -3.35 4.37 -0.81 3.42 0.01 -1.26 -3.08 113.70 113.00 1ulp s SER 92 Ca 0.35 -1.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.03 1ulp s SER 92 Cb 0.02 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 1ulp s SER 92 CO 0.25 -0.18 1.82 -2.16 0.41 0.00 0.00 173.24 173.38 1ulp s PRO 93 N 1.12 2.73 0.56 12.44 0.04 -1.24 -4.94 135.00 145.72 1ulp s PRO 93 Ca -0.08 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1ulp s PRO 93 Cb -0.19 -4.81 -0.05 0.00 0.04 0.00 0.00 34.50 29.49 1ulp s PRO 93 CO -0.05 -2.96 1.09 0.00 0.04 0.00 0.00 177.00 175.12 1ulp s ALA 94 N 8.90 2.70 0.11 8.56 0.00 -1.26 -3.28 121.76 137.49 1ulp s ALA 94 Ca 0.64 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1ulp s ALA 94 Cb -0.08 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ulp s ALA 94 CO 0.06 -0.77 0.13 -0.51 0.00 0.00 0.00 175.76 174.67 1ulp s LEU 95 N -4.07 1.62 0.00 0.00 1.43 0.25 -4.79 118.68 113.13 1ulp s LEU 95 Ca 0.69 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1ulp s LEU 95 Cb -0.20 0.70 0.00 0.00 0.03 0.00 0.00 46.19 46.72 1ulp s LEU 95 CO 0.30 -0.74 0.00 1.07 0.23 0.00 0.00 176.35 177.20 1ulp n THR 96 N -0.07 0.00 0.30 5.49 5.66 -1.06 -2.68 114.28 121.91 1ulp n THR 96 Ca -0.10 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.06 1ulp n THR 96 Cb 0.63 0.00 0.96 0.00 -1.55 0.00 0.00 70.33 70.37 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 0.00 0.00 -3.18 1.09 0.87 -1.65 -3.01 113.55 107.68 1ulp h SER 97 Ca 0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 1ulp h SER 97 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1ulp h SER 97 CO 0.00 0.00 0.03 -1.61 -0.53 0.00 0.00 176.83 174.72 1ulp s GLU 98 N -4.56 3.02 0.22 2.24 2.02 -1.26 -4.96 118.70 115.41 1ulp s GLU 98 Ca -0.05 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 1ulp s GLU 98 Cb 0.15 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 1ulp s GLU 98 CO 0.53 -0.46 1.17 -1.25 0.02 0.00 0.00 175.26 175.26 1ulp s PRO 99 N -4.76 4.53 -0.71 0.39 0.04 -1.26 -4.70 135.00 128.53 1ulp s PRO 99 Ca 0.51 1.87 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1ulp s PRO 99 Cb -0.10 -3.22 0.17 0.00 0.04 0.00 0.00 34.50 31.39 1ulp s PRO 99 CO 0.41 -0.00 0.50 0.50 0.04 0.00 0.00 177.00 178.46 1ulp s ARG 100 N -0.67 2.49 0.67 4.56 3.52 -0.95 -5.02 118.95 123.55 1ulp s ARG 100 Ca 0.50 -3.34 -0.15 0.00 -0.13 0.00 0.00 55.73 52.61 1ulp s ARG 100 Cb -0.33 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1ulp s ARG 100 CO 0.39 -1.28 1.12 -1.14 -0.81 0.00 0.00 175.30 173.58 1ulp s GLN 101 N -1.44 2.72 -0.02 5.12 0.74 -1.26 -2.03 119.66 123.50 1ulp s GLN 101 Ca 0.25 1.45 0.01 0.00 0.05 0.00 0.00 55.36 57.12 1ulp s GLN 101 Cb -0.05 -1.94 0.01 0.00 1.10 0.00 0.00 33.01 32.13 1ulp s GLN 101 CO -0.16 -1.32 -0.05 0.08 -0.55 0.00 0.00 175.29 173.29 1ulp s VAL 102 N -2.27 0.44 -0.23 1.34 1.01 0.21 -4.90 120.40 116.00 1ulp s VAL 102 Ca 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1ulp s VAL 102 Cb -0.22 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 35.86 1ulp s VAL 102 CO 0.41 0.16 0.35 -0.89 0.00 0.00 0.00 175.10 175.13 1ulp s THR 103 N 0.33 -0.55 -0.25 3.92 2.01 -1.25 -2.50 115.64 117.35 1ulp s THR 103 Ca -0.04 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 1ulp s THR 103 Cb -0.08 -0.77 0.07 0.00 0.01 0.00 0.00 72.50 71.74 1ulp s THR 103 CO -0.00 -0.12 0.64 -1.61 -0.69 0.00 0.00 174.62 172.85 1ulp s GLU 104 N 2.51 0.70 -0.37 4.92 2.02 -1.14 -5.02 118.70 122.32 1ulp s GLU 104 Ca 0.10 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 55.96 1ulp s GLU 104 Cb -0.15 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.31 1ulp s GLU 104 CO -0.15 -0.12 0.44 -0.08 0.02 0.00 0.00 175.26 175.37 1ulp s THR 105 N 1.00 5.09 0.18 3.63 -1.32 -1.26 -1.88 115.64 121.08 1ulp s THR 105 Ca -0.05 0.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.55 1ulp s THR 105 Cb -0.05 -3.93 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1ulp s THR 105 CO -0.09 -0.23 -0.02 0.72 -2.21 0.00 0.00 174.62 172.79 1ulp s PHE 106 N 2.19 2.79 -0.86 9.09 -0.12 -0.92 -4.88 117.98 125.28 1ulp s PHE 106 Ca 0.14 -0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 56.68 1ulp s PHE 106 Cb -0.16 -1.35 0.14 0.00 -0.63 0.00 0.00 43.02 41.02 1ulp s PHE 106 CO 0.13 0.52 1.01 0.99 -0.05 0.00 0.00 175.22 177.82 1ulp s THR 107 N -1.75 4.85 -0.82 -4.49 2.01 -1.26 -1.54 115.64 112.65 1ulp s THR 107 Ca 0.27 -1.57 -0.25 0.00 0.31 0.00 0.00 61.69 60.45 1ulp s THR 107 Cb -0.09 -4.69 -0.19 0.00 0.01 0.00 0.00 72.50 67.54 1ulp s THR 107 CO 0.18 -1.38 2.48 0.00 -0.69 0.00 0.00 174.62 175.20 1ulp n ALA 108 N 6.18 0.59 -1.27 7.40 0.00 0.56 -4.64 120.51 129.33 1ulp n ALA 108 Ca 0.16 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1ulp n ALA 108 Cb 0.48 -2.71 -0.11 0.00 0.00 0.00 0.00 19.45 17.11 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 12.32 5.93 0.00 0.00 3.41 -1.26 -1.68 113.62 132.34 1ulp n SER 109 Ca 0.55 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1ulp n SER 109 Cb 0.26 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 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 1.59 0.00 -3.41 7.33 0.00 -0.87 -4.75 120.51 120.40 1ulp n ALA 110 Ca 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 1ulp n ALA 110 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.51 -0.66 -0.64 0.00 2.01 -1.26 0.19 115.64 113.78 1ulp s THR 111 Ca 0.00 -0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1ulp s THR 111 Cb 0.00 -0.80 0.17 0.00 0.01 0.00 0.00 72.50 71.88 1ulp s THR 111 CO 0.00 -0.06 0.51 -0.31 -0.69 0.00 0.00 174.62 174.07 1ulp s TYR 112 N 2.60 3.52 1.18 4.92 2.02 -0.02 -4.77 117.35 126.81 1ulp s TYR 112 Ca 0.10 -2.25 -0.20 0.00 -0.37 0.00 0.00 57.07 54.35 1ulp s TYR 112 Cb -0.15 -3.48 0.29 0.00 -0.40 0.00 0.00 41.96 38.22 1ulp s TYR 112 CO -0.16 -0.93 1.17 -1.25 -1.57 0.00 0.00 175.55 172.81 1ulp s PRO 113 N 0.42 -1.11 -0.49 -1.71 0.04 -1.26 -3.02 135.00 127.87 1ulp s PRO 113 Ca 0.14 -0.27 0.08 0.00 0.04 0.00 0.00 61.00 60.98 1ulp s PRO 113 Cb -0.19 -1.63 0.31 0.00 0.04 0.00 0.00 34.50 33.03 1ulp s PRO 113 CO -0.04 -3.60 0.77 0.00 0.04 0.00 0.00 177.00 174.17 1ulp n ALA 114 N -4.64 3.36 -3.98 8.56 0.00 -1.26 -3.62 120.51 118.93 1ulp n ALA 114 Ca 0.15 -4.09 -0.31 0.00 0.00 0.00 0.00 53.44 49.19 1ulp n ALA 114 Cb 0.60 -0.84 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 1ulp n ALA 114 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ulp s THR 115 N -2.90 2.05 -1.18 0.00 -1.32 -1.26 -4.99 115.64 106.04 1ulp s THR 115 Ca 0.42 -2.16 -0.22 0.00 -1.21 0.00 0.00 61.69 58.52 1ulp s THR 115 Cb 0.26 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1ulp s THR 115 CO -0.09 -0.59 1.86 -2.16 -2.21 0.00 0.00 174.62 171.43 1ulp s PRO 116 N 1.02 2.94 0.34 7.08 0.04 -1.26 -4.01 135.00 141.15 1ulp s PRO 116 Ca 0.10 -1.29 0.07 0.00 0.04 0.00 0.00 61.00 59.92 1ulp s PRO 116 Cb -0.19 -5.31 -0.07 0.00 0.04 0.00 0.00 34.50 28.98 1ulp s PRO 116 CO -0.11 -3.39 -0.04 0.00 0.04 0.00 0.00 177.00 173.50 1ulp s ALA 117 N 8.88 2.74 0.05 8.56 0.00 -0.81 -5.02 121.76 136.16 1ulp s ALA 117 Ca 0.64 -2.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 1ulp s ALA 117 Cb -0.00 0.15 -0.13 0.00 0.00 0.00 0.00 23.12 23.15 1ulp s ALA 117 CO 0.09 -0.05 1.37 0.00 0.00 0.00 0.00 175.76 177.17 1ulp h ALA 118 N 2.06 -1.13 -0.33 0.00 0.00 -2.03 -2.53 119.26 115.29 1ulp h ALA 118 Ca -0.42 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1ulp h ALA 118 Cb 1.24 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1ulp h ALA 118 CO 0.72 -1.11 0.17 -3.47 0.00 0.00 0.00 179.25 175.56 1ulp n ASP 119 N -4.40 3.15 -3.00 0.00 2.03 -1.26 -4.37 116.55 108.70 1ulp n ASP 119 Ca -0.09 -2.54 -0.16 0.00 0.52 0.00 0.00 54.79 52.52 1ulp n ASP 119 Cb 0.33 -0.61 -0.02 0.00 -0.72 0.00 0.00 41.12 40.10 1ulp n ASP 119 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ulp n ASP 120 N -0.02 -1.53 -0.40 1.67 8.00 -0.95 -4.84 116.55 118.48 1ulp n ASP 120 Ca 0.19 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.78 1ulp n ASP 120 Cb 0.85 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1ulp n ASP 120 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ulp n PRO 121 N 1.87 0.81 -0.01 -0.24 -0.04 -0.86 -1.92 135.00 134.61 1ulp n PRO 121 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1ulp n PRO 121 Cb 0.57 -1.32 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.03 -0.02 -3.97 0.54 0.00 0.56 -4.54 120.64 113.17 1ulp n GLU 122 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 57.16 56.92 1ulp n GLU 122 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 31.44 31.54 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 123 N -0.48 1.65 0.00 -1.84 0.00 -1.24 0.19 107.32 105.60 1ulp s GLY 123 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1ulp s GLY 123 CO 0.00 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.62 1ulp n GLN 124 N -0.62 0.00 -5.18 2.90 10.64 -0.99 -3.50 117.38 120.62 1ulp n GLN 124 Ca -0.07 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.78 1ulp n GLN 124 Cb 0.54 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.77 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 -0.04 2.33 -0.19 -0.39 1.01 -1.01 -3.11 121.20 119.81 1ulp s ILE 125 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1ulp s ILE 125 Cb 0.00 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1ulp s ILE 125 CO 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 174.94 175.40 1ulp s ALA 126 N -0.51 2.59 -0.27 9.38 0.00 -1.02 -2.83 121.76 129.10 1ulp s ALA 126 Ca 0.07 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1ulp s ALA 126 Cb -0.11 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.67 1ulp s ALA 126 CO 0.01 -0.25 -0.08 -0.06 0.00 0.00 0.00 175.76 175.38 1ulp s PHE 127 N 1.16 3.31 -0.88 0.00 0.40 -0.44 -2.37 117.98 119.17 1ulp s PHE 127 Ca 0.01 -2.32 -0.20 0.00 -0.60 0.00 0.00 56.93 53.83 1ulp s PHE 127 Cb -0.14 -2.05 0.12 0.00 0.51 0.00 0.00 43.02 41.45 1ulp s PHE 127 CO -0.04 -0.88 1.11 -0.65 0.70 0.00 0.00 175.22 175.46 1ulp s GLN 128 N 1.11 3.51 -0.47 0.44 -0.21 -0.38 -1.08 119.66 122.58 1ulp s GLN 128 Ca -0.07 -1.57 -0.02 0.00 0.02 0.00 0.00 55.36 53.73 1ulp s GLN 128 Cb -0.20 -4.82 0.27 0.00 1.00 0.00 0.00 33.01 29.26 1ulp s GLN 128 CO -0.05 -1.80 2.13 1.28 -2.12 0.00 0.00 175.29 174.73 1ulp n LEU 129 N 6.86 6.89 -4.08 2.90 4.77 0.12 -3.05 117.00 131.41 1ulp n LEU 129 Ca 0.19 -3.77 -0.21 0.00 -0.03 0.00 0.00 56.01 52.19 1ulp n LEU 129 Cb 0.48 -1.06 -0.15 0.00 -2.33 0.00 0.00 43.42 40.36 1ulp n LEU 129 CO 0.54 1.39 -0.46 -0.83 -1.33 0.00 0.00 177.39 176.70 1ulp s GLY 130 N -0.44 0.61 -0.43 -0.72 0.00 -1.10 -2.63 107.32 102.61 1ulp s GLY 130 Ca 0.46 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1ulp s GLY 130 CO -0.06 -0.45 0.38 0.61 0.00 0.00 0.00 173.10 173.58 1ulp n GLY 131 N 2.75 -0.10 0.34 0.20 0.00 -0.81 -4.80 105.19 102.76 1ulp n GLY 131 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.09 -0.31 -3.11 1.61 3.72 -1.26 -4.97 117.46 111.05 1ulp n PHE 132 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1ulp n PHE 132 Cb 0.54 0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.14 6.57 0.00 4.37 0.15 -1.26 -4.86 113.70 119.80 1ulp s SER 133 Ca 0.00 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1ulp s SER 133 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1ulp s SER 133 CO 0.00 -0.39 0.80 0.00 1.20 0.00 0.00 173.24 174.85 1ulp n ALA 134 N 5.75 -0.37 -0.80 5.45 0.00 -1.26 -4.46 120.51 124.83 1ulp n ALA 134 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1ulp n ALA 134 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.75 -2.10 -4.78 0.00 9.92 -1.26 -1.70 116.55 114.89 1ulp n ASP 135 Ca 0.00 -0.20 -0.39 0.00 -0.53 0.00 0.00 54.79 53.67 1ulp n ASP 135 Cb 0.00 -0.28 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ulp s ALA 136 N -2.03 3.41 0.00 2.24 0.00 -1.26 -4.11 121.76 120.01 1ulp s ALA 136 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1ulp s ALA 136 Cb -0.03 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1ulp s ALA 136 CO 0.13 0.28 0.00 -2.67 0.00 0.00 0.00 175.76 173.50 1ulp n TRP 137 N 1.35 -0.24 -3.84 0.00 2.14 -1.12 -4.86 117.44 110.88 1ulp n TRP 137 Ca -0.04 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.45 1ulp n TRP 137 Cb 0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.99 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N -2.33 0.00 -0.06 -1.67 -1.32 -1.26 -1.77 115.64 107.22 1ulp s THR 138 Ca 0.00 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 1ulp s THR 138 Cb 0.00 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.66 1ulp s THR 138 CO 0.00 0.00 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.54 1ulp s LEU 139 N -2.99 1.57 -0.43 9.08 1.02 -1.02 -3.63 118.68 122.29 1ulp s LEU 139 Ca 0.13 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.03 1ulp s LEU 139 Cb -0.05 -0.77 0.12 0.00 0.02 0.00 0.00 46.19 45.51 1ulp s LEU 139 CO 0.08 0.01 0.19 0.00 0.02 0.00 0.00 176.35 176.66 1ulp n LEU 141 N 3.69 0.00 0.00 0.00 4.77 -0.36 -1.81 117.00 123.29 1ulp n LEU 141 Ca 0.05 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1ulp n LEU 141 Cb 0.36 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ulp n LEU 141 CO 0.26 -0.83 0.00 -0.90 -1.33 0.00 0.00 177.39 174.59 1ulp n ASP 142 N -3.06 0.00 -2.28 -1.43 5.68 -1.23 -1.14 116.55 113.10 1ulp n ASP 142 Ca 0.09 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.32 1ulp n ASP 142 Cb 0.33 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.34 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 143 N 0.00 -4.18 -4.51 -1.12 2.03 -0.25 -3.52 116.55 105.00 1ulp n ASP 143 Ca 0.00 -0.28 -0.42 0.00 0.52 0.00 0.00 54.79 54.60 1ulp n ASP 143 Cb 0.00 -2.68 -0.08 0.00 -0.72 0.00 0.00 41.12 37.64 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 -3.15 4.99 0.32 5.18 1.01 -1.23 -4.11 120.40 123.41 1ulp s VAL 144 Ca 0.18 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1ulp s VAL 144 Cb -0.02 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1ulp s VAL 144 CO 0.34 -0.42 -0.12 0.00 0.00 0.00 0.00 175.10 174.90 1ulp s ALA 145 N 2.41 2.85 -0.38 5.51 0.00 -1.12 -4.31 121.76 126.72 1ulp s ALA 145 Ca 0.17 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1ulp s ALA 145 Cb -0.16 -0.09 0.19 0.00 0.00 0.00 0.00 23.12 23.06 1ulp s ALA 145 CO 0.15 0.12 0.84 -1.17 0.00 0.00 0.00 175.76 175.70 1ulp s LEU 146 N -3.57 -0.97 0.31 0.00 2.96 -1.25 -2.92 118.68 113.25 1ulp s LEU 146 Ca 0.31 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1ulp s LEU 146 Cb 0.01 1.24 -0.06 0.00 0.50 0.00 0.00 46.19 47.88 1ulp s LEU 146 CO 0.16 -0.09 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.41 1ulp s ASP 147 N 1.73 3.16 -0.27 3.68 -1.08 -1.26 -4.83 116.67 117.80 1ulp s ASP 147 Ca 0.17 -1.20 -0.15 0.00 -0.52 0.00 0.00 52.55 50.85 1ulp s ASP 147 Cb 0.00 -0.24 -0.04 0.00 -1.46 0.00 0.00 42.92 41.19 1ulp s ASP 147 CO -0.10 -0.30 0.39 -0.94 0.52 0.00 0.00 175.17 174.74 1ulp s SER 148 N -3.52 6.27 0.18 -0.34 1.04 -1.25 -3.08 113.70 113.00 1ulp s SER 148 Ca 0.31 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1ulp s SER 148 Cb 0.04 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1ulp s SER 148 CO 0.14 -0.20 0.00 1.21 0.98 0.00 0.00 173.24 175.37 1ulp n GLU 149 N 5.35 -5.36 -3.95 4.02 4.07 -1.26 -4.98 120.64 118.54 1ulp n GLU 149 Ca -0.08 3.79 -0.10 0.00 -0.06 0.00 0.00 57.16 60.71 1ulp n GLU 149 Cb 0.51 -4.19 -0.06 0.00 -0.06 0.00 0.00 31.44 27.63 1ulp n GLU 149 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ulp s VAL 150 N -0.50 0.05 1.04 6.31 0.11 -1.26 -5.12 120.40 121.02 1ulp s VAL 150 Ca 0.00 -1.33 -0.19 0.00 -2.93 0.00 0.00 61.98 57.53 1ulp s VAL 150 Cb 0.00 -1.89 -0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1ulp s VAL 150 CO 0.00 -0.21 -0.28 1.21 -3.33 0.00 0.00 175.10 172.49 1ulp n GLU 151 N -0.26 -0.76 0.00 1.54 2.13 -1.26 -5.23 120.64 116.79 1ulp n GLU 151 Ca -0.06 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.55 1ulp n GLU 151 Cb 0.63 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1ulp n GLU 151 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19