#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp n SER 2 N 0.00 -5.70 -3.21 0.00 7.64 -1.26 -4.43 113.62 106.66 1ulp n SER 2 Ca 0.00 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1ulp n SER 2 Cb 0.00 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ulp n PRO 3 N -3.72 1.64 -1.00 1.43 -0.04 -1.26 -4.36 135.00 127.68 1ulp n PRO 3 Ca -0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 1ulp n PRO 3 Cb 0.61 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.21 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 -0.14 2.83 0.00 0.52 -5.35 -1.25 -4.75 119.36 111.22 1ulp n ILE 4 Ca 0.00 -1.64 0.00 0.00 -0.27 0.00 0.00 62.75 60.84 1ulp n ILE 4 Cb 0.00 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.25 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 -0.77 2.82 3.44 3.28 0.00 -1.26 -4.61 105.19 108.09 1ulp n GLY 5 Ca 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.14 -1.41 -4.08 1.61 1.02 -1.25 -5.00 120.64 111.39 1ulp n GLU 6 Ca 0.00 0.99 -0.15 0.00 -0.02 0.00 0.00 57.16 57.97 1ulp n GLU 6 Cb 0.00 -4.33 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 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 -1.68 2.08 2.80 0.62 0.00 -1.26 -4.97 105.19 102.79 1ulp n GLY 7 Ca -0.12 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.60 3.95 -3.69 2.61 -2.24 -1.26 -2.72 114.28 110.33 1ulp n THR 8 Ca 0.01 -4.33 -0.26 0.00 -2.27 0.00 0.00 64.05 57.19 1ulp n THR 8 Cb 0.61 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 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 -0.20 -1.59 -0.93 4.78 3.72 -1.25 -4.54 117.46 117.46 1ulp n PHE 9 Ca 0.53 0.47 -0.13 0.00 -0.05 0.00 0.00 57.45 58.26 1ulp n PHE 9 Cb 0.28 -2.04 -0.04 0.00 -0.94 0.00 0.00 39.48 36.74 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 -2.19 5.85 0.00 4.37 5.68 -1.26 -3.93 116.55 125.07 1ulp n ASP 10 Ca 0.05 -2.76 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 1ulp n ASP 10 Cb 0.49 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 11 N 1.32 0.00 -0.40 -1.12 2.03 -1.26 -5.02 116.55 112.10 1ulp n ASP 11 Ca 0.29 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.64 1ulp n ASP 11 Cb 0.64 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.85 0.00 0.27 0.00 -1.26 -4.36 105.19 96.99 1ulp n GLY 12 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.61 0.79 0.00 1.61 -0.04 -1.26 -4.75 135.00 128.74 1ulp n PRO 13 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ulp n PRO 13 Cb 0.19 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.76 0.00 0.00 0.54 -0.58 -1.26 -1.76 120.64 116.82 1ulp n GLU 14 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1ulp n GLU 14 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulp n GLY 15 N 0.00 -1.73 3.69 0.62 0.00 -1.26 -5.07 105.19 101.44 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 -0.01 2.86 0.08 1.61 0.52 -0.72 -4.42 118.94 118.85 1ulp s TRP 16 Ca 0.00 0.77 0.07 0.00 0.02 0.00 0.00 56.10 56.96 1ulp s TRP 16 Cb 0.00 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 1ulp s TRP 16 CO 0.00 -2.65 -0.18 0.14 0.02 0.00 0.00 176.95 174.28 1ulp s VAL 17 N 2.21 1.49 0.01 4.03 -7.23 -0.92 -4.94 120.40 115.06 1ulp s VAL 17 Ca 0.65 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1ulp s VAL 17 Cb -0.34 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 1ulp s VAL 17 CO 0.28 -0.04 -0.13 0.00 -0.31 0.00 0.00 175.10 174.90 1ulp s ALA 18 N -1.09 1.08 0.20 1.32 0.00 -1.26 -0.34 121.76 121.68 1ulp s ALA 18 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1ulp s ALA 18 Cb -0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1ulp s ALA 18 CO 0.03 0.24 -0.03 1.52 0.00 0.00 0.00 175.76 177.52 1ulp s TYR 19 N -0.50 1.44 -0.19 0.00 1.13 -0.62 -4.86 117.35 113.75 1ulp s TYR 19 Ca 0.03 -0.89 -0.01 0.00 -1.41 0.00 0.00 57.07 54.79 1ulp s TYR 19 Cb -0.06 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.99 1ulp s TYR 19 CO 0.00 -0.03 0.17 0.41 -2.51 0.00 0.00 175.55 173.59 1ulp n GLY 20 N -0.34 0.74 0.00 5.49 0.00 -1.26 -2.86 105.19 106.95 1ulp n GLY 20 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.82 0.00 -5.01 2.61 -2.24 -1.26 -4.65 114.28 100.91 1ulp n THR 21 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1ulp n THR 21 Cb 0.51 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1ulp n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulp s ASP 22 N 1.49 3.51 0.26 3.42 2.15 -1.20 -5.01 116.67 121.30 1ulp s ASP 22 Ca 0.00 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1ulp s ASP 22 Cb 0.00 -1.50 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 1ulp s ASP 22 CO 0.00 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 1ulp n GLY 23 N 3.53 -1.42 0.00 2.66 0.00 -1.26 -4.62 105.19 104.08 1ulp n GLY 23 Ca -0.19 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.16 1.08 -1.79 1.61 -0.04 -1.26 -4.90 135.00 126.53 1ulp n PRO 24 Ca -0.01 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1ulp n PRO 24 Cb 0.61 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.27 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 2.38 -0.16 1.53 1.43 -1.26 -4.71 118.68 117.88 1ulp s LEU 25 Ca 0.00 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1ulp s LEU 25 Cb 0.00 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 44.04 1ulp s LEU 25 CO 0.00 -3.03 0.23 -1.81 0.23 0.00 0.00 176.35 171.97 1ulp s ASP 26 N -4.75 0.92 0.00 2.29 1.11 -0.91 -4.99 116.67 110.34 1ulp s ASP 26 Ca 0.74 0.14 0.00 0.00 0.18 0.00 0.00 52.55 53.62 1ulp s ASP 26 Cb -0.04 0.47 0.00 0.00 1.07 0.00 0.00 42.92 44.42 1ulp s ASP 26 CO 0.54 -0.28 0.00 0.35 1.18 0.00 0.00 175.17 176.95 1ulp n THR 27 N 5.33 0.00 -2.18 -1.27 -2.24 -1.26 -1.76 114.28 110.91 1ulp n THR 27 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ulp n THR 27 Cb 0.50 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1ulp n THR 27 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ulp n SER 28 N -0.65 -0.80 0.00 3.42 3.41 -1.26 -4.23 113.62 113.51 1ulp n SER 28 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1ulp n SER 28 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ulp n THR 29 N -2.16 0.00 0.00 6.66 5.66 -1.26 -5.03 114.28 118.15 1ulp n THR 29 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ulp n THR 29 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.41 -0.12 3.06 1.09 0.00 -1.25 -4.99 105.19 102.57 1ulp n GLY 30 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N -0.60 0.80 -0.41 4.61 0.00 -1.25 -3.94 121.76 120.96 1ulp s ALA 31 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 1ulp s ALA 31 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1ulp s ALA 31 CO 0.00 0.14 0.95 -1.17 0.00 0.00 0.00 175.76 175.68 1ulp s LEU 32 N -0.79 3.96 -0.24 0.00 2.96 -0.89 -4.25 118.68 119.43 1ulp s LEU 32 Ca -0.00 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1ulp s LEU 32 Cb -0.06 -3.27 0.02 0.00 0.50 0.00 0.00 46.19 43.38 1ulp s LEU 32 CO 0.00 -0.97 -0.07 0.00 -1.32 0.00 0.00 176.35 173.99 1ulp s VAL 34 N 1.35 5.27 -0.78 0.00 -7.23 -0.56 -2.14 120.40 116.32 1ulp s VAL 34 Ca 0.02 -0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.86 1ulp s VAL 34 Cb -0.16 -3.41 0.13 0.00 0.56 0.00 0.00 36.38 33.50 1ulp s VAL 34 CO -0.05 0.40 0.91 0.00 -0.31 0.00 0.00 175.10 176.05 1ulp s ALA 35 N -1.23 3.50 -0.01 1.32 0.00 -1.26 -2.82 121.76 121.25 1ulp s ALA 35 Ca 0.24 -2.63 -0.24 0.00 0.00 0.00 0.00 51.96 49.33 1ulp s ALA 35 Cb -0.12 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 1ulp s ALA 35 CO 0.14 -2.63 0.71 0.08 0.00 0.00 0.00 175.76 174.06 1ulp s VAL 36 N 2.32 4.91 1.05 0.00 1.01 0.43 -3.26 120.40 126.85 1ulp s VAL 36 Ca 0.22 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 1ulp s VAL 36 Cb -0.13 -4.05 0.22 0.00 0.00 0.00 0.00 36.38 32.42 1ulp s VAL 36 CO -0.03 0.32 1.07 -2.16 0.00 0.00 0.00 175.10 174.31 1ulp s PRO 37 N 0.32 0.04 0.03 2.72 0.04 -1.26 -1.05 135.00 135.84 1ulp s PRO 37 Ca 0.37 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1ulp s PRO 37 Cb -0.19 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1ulp s PRO 37 CO 0.20 -3.03 1.86 0.00 0.04 0.00 0.00 177.00 176.07 1ulp s ALA 38 N -2.79 3.62 -0.02 8.56 0.00 -1.26 -3.66 121.76 126.21 1ulp s ALA 38 Ca 0.66 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 1ulp s ALA 38 Cb -0.21 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1ulp s ALA 38 CO 0.60 -1.46 0.01 0.41 0.00 0.00 0.00 175.76 175.32 1ulp n GLY 39 N 4.38 -0.40 3.51 0.00 0.00 0.45 -4.20 105.19 108.93 1ulp n GLY 39 Ca 0.19 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 1.99 -0.52 -1.53 1.61 2.88 -1.26 -4.67 113.62 112.12 1ulp n SER 40 Ca -0.02 -0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 57.06 1ulp n SER 40 Cb 0.22 -0.78 0.10 0.00 -0.75 0.00 0.00 64.21 62.99 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 8.47 3.87 -3.38 -1.46 0.00 -1.26 -3.03 120.51 123.72 1ulp n ALA 41 Ca 0.65 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ulp n ALA 41 Cb 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.21 1.45 0.03 0.00 10.64 -1.26 -4.96 117.38 123.06 1ulp n GLN 42 Ca 0.26 0.00 0.20 0.00 -1.83 0.00 0.00 57.00 55.64 1ulp n GLN 42 Cb 1.01 0.00 0.55 0.00 -0.86 0.00 0.00 30.24 30.95 1ulp n GLN 42 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1ulp h TYR 43 N 0.69 0.00 0.00 2.61 -0.00 -2.01 -3.44 116.97 114.83 1ulp h TYR 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ulp h TYR 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ulp h TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ulp n GLY 44 N -1.54 4.00 3.96 0.10 0.00 -1.26 -4.88 105.19 105.58 1ulp n GLY 44 Ca 0.12 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.06 2.30 -0.05 1.61 1.01 -1.16 -4.76 120.40 118.29 1ulp s VAL 45 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1ulp s VAL 45 Cb 0.00 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1ulp s VAL 45 CO 0.00 0.00 1.25 0.61 0.00 0.00 0.00 175.10 176.96 1ulp n GLY 46 N -2.82 0.17 3.22 4.51 0.00 -1.14 0.44 105.19 109.57 1ulp n GLY 46 Ca 0.11 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.01 -0.11 -0.08 1.61 1.01 0.26 -1.59 120.40 119.48 1ulp s VAL 47 Ca 0.30 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1ulp s VAL 47 Cb -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1ulp s VAL 47 CO -0.02 0.05 -0.23 0.68 0.00 0.00 0.00 175.10 175.58 1ulp s VAL 48 N 1.55 2.16 -0.46 2.92 -7.23 0.54 -1.55 120.40 118.33 1ulp s VAL 48 Ca -0.08 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1ulp s VAL 48 Cb -0.09 -1.81 0.13 0.00 0.56 0.00 0.00 36.38 35.16 1ulp s VAL 48 CO -0.12 0.56 0.23 -0.22 -0.31 0.00 0.00 175.10 175.24 1ulp s LEU 49 N 0.08 3.64 -0.21 1.32 2.96 -1.18 -2.15 118.68 123.14 1ulp s LEU 49 Ca -0.11 -2.73 -0.29 0.00 -0.22 0.00 0.00 54.13 50.78 1ulp s LEU 49 Cb -0.16 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1ulp s LEU 49 CO 0.06 -0.27 1.78 0.21 -1.32 0.00 0.00 176.35 176.82 1ulp s ASN 50 N 0.14 6.16 0.00 3.68 2.47 -1.26 -2.73 114.94 123.39 1ulp s ASN 50 Ca 0.16 1.73 0.00 0.00 0.42 0.00 0.00 52.86 55.17 1ulp s ASN 50 Cb -0.24 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 1ulp s ASN 50 CO -0.02 -1.42 0.00 0.61 -3.72 0.00 0.00 177.10 172.55 1ulp n GLY 51 N 4.95 -0.85 3.10 1.21 0.00 -1.12 -4.99 105.19 107.49 1ulp n GLY 51 Ca 0.21 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 0.20 -0.43 1.61 1.01 -0.96 -3.87 120.40 117.97 1ulp s VAL 52 Ca 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1ulp s VAL 52 Cb 0.00 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.96 1ulp s VAL 52 CO 0.00 -0.93 0.22 0.00 0.00 0.00 0.00 175.10 174.39 1ulp s ALA 53 N -3.93 2.10 0.35 5.51 0.00 -1.24 -4.16 121.76 120.39 1ulp s ALA 53 Ca 0.08 -2.52 0.06 0.00 0.00 0.00 0.00 51.96 49.58 1ulp s ALA 53 Cb 0.08 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 1ulp s ALA 53 CO -0.09 -2.03 0.01 0.42 0.00 0.00 0.00 175.76 174.06 1ulp s ILE 54 N 0.47 1.65 -0.29 0.00 -1.09 -1.03 -4.89 121.20 116.03 1ulp s ILE 54 Ca 0.17 -2.04 -0.15 0.00 -2.23 0.00 0.00 60.65 56.40 1ulp s ILE 54 Cb -0.24 -2.80 0.11 0.00 -1.58 0.00 0.00 42.46 37.95 1ulp s ILE 54 CO -0.01 -0.07 0.77 -0.70 -1.23 0.00 0.00 174.94 173.70 1ulp s GLU 55 N -3.77 0.59 0.00 2.79 2.12 -1.22 -1.86 118.70 117.35 1ulp s GLU 55 Ca 0.34 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.78 1ulp s GLU 55 Cb 0.08 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1ulp s GLU 55 CO 0.16 -0.14 0.00 -0.85 -0.54 0.00 0.00 175.26 173.89 1ulp n GLU 56 N 4.41 0.00 -2.81 4.30 0.28 0.44 -2.88 120.64 124.38 1ulp n GLU 56 Ca -0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.39 1ulp n GLU 56 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ulp n GLY 57 N 0.00 3.21 3.87 -1.84 0.00 -1.22 -2.39 105.19 106.82 1ulp n GLY 57 Ca 0.00 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 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 2.31 2.19 0.36 2.61 2.01 -0.92 -4.89 115.64 119.31 1ulp s THR 58 Ca 0.46 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 1ulp s THR 58 Cb -0.00 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1ulp s THR 58 CO 0.02 0.00 0.66 -0.89 -0.69 0.00 0.00 174.62 173.72 1ulp s THR 59 N -2.62 4.94 0.25 -0.82 2.01 -1.26 -0.86 115.64 117.28 1ulp s THR 59 Ca 0.42 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 1ulp s THR 59 Cb -0.02 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ulp s THR 59 CO 0.25 -0.50 0.66 -0.31 -0.69 0.00 0.00 174.62 174.03 1ulp s TYR 60 N -2.31 -0.20 -0.13 4.92 2.02 -0.48 -3.60 117.35 117.57 1ulp s TYR 60 Ca 0.46 -0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.92 1ulp s TYR 60 Cb -0.10 0.61 0.06 0.00 -0.40 0.00 0.00 41.96 42.13 1ulp s TYR 60 CO 0.34 -1.12 0.16 0.99 -1.57 0.00 0.00 175.55 174.34 1ulp s THR 61 N -3.90 -0.24 -0.21 -0.71 2.01 -1.22 -1.04 115.64 110.32 1ulp s THR 61 Ca 0.10 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 1ulp s THR 61 Cb -0.04 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1ulp s THR 61 CO 0.03 -0.02 0.61 -0.22 -0.69 0.00 0.00 174.62 174.33 1ulp s LEU 62 N 2.27 4.12 -0.10 4.42 2.96 -0.35 -4.03 118.68 127.97 1ulp s LEU 62 Ca 0.04 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1ulp s LEU 62 Cb -0.14 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.72 1ulp s LEU 62 CO -0.08 -0.29 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.40 1ulp s ARG 63 N 2.04 2.04 -0.13 1.98 0.52 -1.15 -3.05 118.95 121.20 1ulp s ARG 63 Ca 0.27 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1ulp s ARG 63 Cb -0.16 -1.76 0.12 0.00 0.52 0.00 0.00 34.95 33.67 1ulp s ARG 63 CO 0.10 -0.06 0.96 1.52 0.02 0.00 0.00 175.30 177.83 1ulp s TYR 64 N 0.99 -0.39 -0.35 -0.53 -0.85 -1.07 -2.80 117.35 112.35 1ulp s TYR 64 Ca -0.07 0.60 0.04 0.00 -0.52 0.00 0.00 57.07 57.12 1ulp s TYR 64 Cb -0.15 0.46 0.10 0.00 0.38 0.00 0.00 41.96 42.75 1ulp s TYR 64 CO -0.01 -0.39 0.07 0.99 -1.52 0.00 0.00 175.55 174.68 1ulp s THR 65 N -1.45 2.34 -0.02 -3.49 2.01 -1.25 0.11 115.64 113.89 1ulp s THR 65 Ca -0.01 -2.38 -0.03 0.00 0.31 0.00 0.00 61.69 59.58 1ulp s THR 65 Cb -0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1ulp s THR 65 CO 0.01 -0.61 0.17 0.00 -0.69 0.00 0.00 174.62 173.49 1ulp s ALA 66 N 0.86 3.92 -0.18 7.40 0.00 -1.01 -3.44 121.76 129.32 1ulp s ALA 66 Ca 0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1ulp s ALA 66 Cb -0.19 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.15 1ulp s ALA 66 CO -0.07 0.73 0.30 0.99 0.00 0.00 0.00 175.76 177.71 1ulp s THR 67 N -1.29 -0.47 -0.09 0.00 2.01 -0.98 -2.71 115.64 112.11 1ulp s THR 67 Ca 0.26 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 1ulp s THR 67 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1ulp s THR 67 CO 0.17 -0.00 0.11 0.00 -0.69 0.00 0.00 174.62 174.21 1ulp s ALA 68 N 2.45 3.75 0.63 7.40 0.00 -1.18 -2.17 121.76 132.64 1ulp s ALA 68 Ca 0.04 -0.70 0.25 0.00 0.00 0.00 0.00 51.96 51.55 1ulp s ALA 68 Cb -0.13 -1.84 1.24 0.00 0.00 0.00 0.00 23.12 22.39 1ulp s ALA 68 CO -0.11 0.63 1.69 0.77 0.00 0.00 0.00 175.76 178.74 1ulp h SER 69 N 4.83 0.00 -1.64 0.00 0.02 -1.78 -3.01 113.55 111.96 1ulp h SER 69 Ca -0.53 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.82 1ulp h SER 69 Cb 1.21 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.65 1ulp h SER 69 CO 0.59 0.00 -0.55 0.28 -1.14 0.00 0.00 176.83 176.00 1ulp s THR 70 N -4.34 2.18 -1.38 -2.27 -1.32 -1.26 -4.07 115.64 103.18 1ulp s THR 70 Ca -0.03 -1.86 -0.12 0.00 -1.21 0.00 0.00 61.69 58.47 1ulp s THR 70 Cb 0.11 -2.99 0.10 0.00 -1.51 0.00 0.00 72.50 68.21 1ulp s THR 70 CO 0.37 -0.01 2.08 0.47 -2.21 0.00 0.00 174.62 175.32 1ulp n ASP 71 N -1.09 4.56 -4.84 8.08 8.00 -1.26 -2.17 116.55 127.82 1ulp n ASP 71 Ca -0.03 -2.97 -0.38 0.00 0.71 0.00 0.00 54.79 52.12 1ulp n ASP 71 Cb 0.66 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.13 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ulp s VAL 72 N 1.80 5.11 -0.47 2.53 0.11 -1.19 -4.82 120.40 123.47 1ulp s VAL 72 Ca 0.44 0.73 0.04 0.00 -2.93 0.00 0.00 61.98 60.25 1ulp s VAL 72 Cb 0.12 -3.66 0.13 0.00 -1.53 0.00 0.00 36.38 31.44 1ulp s VAL 72 CO -0.05 0.58 0.22 -0.89 -3.33 0.00 0.00 175.10 171.64 1ulp s THR 73 N -1.07 2.32 0.00 5.04 2.01 -1.26 -0.52 115.64 122.15 1ulp s THR 73 Ca 0.22 -3.01 0.00 0.00 0.31 0.00 0.00 61.69 59.22 1ulp s THR 73 Cb -0.16 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1ulp s THR 73 CO 0.12 -0.78 0.00 1.33 -0.69 0.00 0.00 174.62 174.60 1ulp n VAL 74 N 3.40 0.00 -4.51 3.82 0.24 -1.06 -4.88 118.33 115.34 1ulp n VAL 74 Ca 0.05 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.14 1ulp n VAL 74 Cb 0.34 0.00 -0.15 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 2.08 0.99 0.04 7.34 0.52 -1.10 -3.15 118.95 125.68 1ulp s ARG 75 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1ulp s ARG 75 Cb 0.00 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 1ulp s ARG 75 CO 0.00 0.23 -0.04 0.00 0.02 0.00 0.00 175.30 175.50 1ulp s ALA 76 N -0.17 0.45 0.00 2.13 0.00 -0.69 -1.97 121.76 121.52 1ulp s ALA 76 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1ulp s ALA 76 Cb -0.06 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1ulp s ALA 76 CO -0.00 -0.21 0.00 1.47 0.00 0.00 0.00 175.76 177.02 1ulp n LEU 77 N 0.88 0.00 -3.95 0.00 -0.00 -0.67 -2.94 117.00 110.31 1ulp n LEU 77 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.94 1ulp n LEU 77 CO 0.24 0.00 0.12 -0.69 -0.00 0.00 0.00 177.39 177.06 1ulp s VAL 78 N -0.67 0.02 0.02 1.47 1.01 -1.26 -2.14 120.40 118.85 1ulp s VAL 78 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1ulp s VAL 78 Cb 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1ulp s VAL 78 CO 0.00 -0.11 0.14 0.61 0.00 0.00 0.00 175.10 175.74 1ulp n GLY 79 N -0.32 1.05 0.00 4.51 0.00 -1.17 -3.01 105.19 106.25 1ulp n GLY 79 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.10 2.82 -2.83 1.61 7.27 -0.90 -1.69 117.38 123.57 1ulp n GLN 80 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1ulp n GLN 80 Cb 0.07 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.72 1ulp n GLN 80 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1ulp s ASN 81 N -0.98 -1.19 0.00 1.69 0.02 0.51 -4.45 114.94 110.54 1ulp s ASN 81 Ca 0.00 -1.83 0.00 0.00 -1.02 0.00 0.00 52.86 50.01 1ulp s ASN 81 Cb 0.00 1.69 0.00 0.00 0.02 0.00 0.00 41.25 42.96 1ulp s ASN 81 CO 0.00 -0.06 0.00 0.61 0.02 0.00 0.00 177.10 177.67 1ulp n GLY 82 N 2.98 -1.72 0.00 0.66 0.00 -1.26 -2.68 105.19 103.16 1ulp n GLY 82 Ca 0.19 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 0.04 4.61 0.00 -1.26 -4.47 120.51 119.42 1ulp n ALA 83 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ulp n ALA 83 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.31 1.34 -1.43 0.00 -0.04 -1.26 -4.89 135.00 128.41 1ulp n PRO 84 Ca 0.00 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1ulp n PRO 84 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.40 -3.88 -3.66 0.54 4.01 -1.26 -5.03 117.16 108.27 1ulp n TYR 85 Ca 0.15 2.05 -0.08 0.00 -0.16 0.00 0.00 57.90 59.86 1ulp n TYR 85 Cb 0.69 -3.24 -0.09 0.00 -0.31 0.00 0.00 39.34 36.40 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 -2.85 -0.40 0.08 2.72 0.00 -1.26 -4.95 107.32 100.66 1ulp s GLY 86 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 44.72 46.28 1ulp s GLY 86 CO 0.00 2.39 0.31 -0.51 0.00 0.00 0.00 173.10 175.29 1ulp s THR 87 N 2.48 5.24 -0.00 0.90 -4.23 -1.26 -2.11 115.64 116.66 1ulp s THR 87 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1ulp s THR 87 Cb -0.11 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1ulp s THR 87 CO -0.14 0.19 0.00 1.33 -0.54 0.00 0.00 174.62 175.46 1ulp n VAL 88 N 0.53 0.01 -4.14 2.29 0.24 -1.16 -4.82 118.33 111.27 1ulp n VAL 88 Ca -0.06 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 1ulp n VAL 88 Cb 0.52 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.68 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 -3.44 3.75 -0.46 1.34 1.02 -1.25 -4.64 118.68 115.01 1ulp s LEU 89 Ca -0.00 0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.26 1ulp s LEU 89 Cb 0.00 -2.24 0.18 0.00 0.02 0.00 0.00 46.19 44.15 1ulp s LEU 89 CO 0.01 0.25 0.54 -0.62 0.02 0.00 0.00 176.35 176.55 1ulp s ASP 90 N -1.85 -0.08 0.27 2.29 2.15 -1.26 -4.09 116.67 114.09 1ulp s ASP 90 Ca 0.23 -2.17 -0.03 0.00 0.43 0.00 0.00 52.55 51.01 1ulp s ASP 90 Cb -0.12 0.88 -0.02 0.00 -0.30 0.00 0.00 42.92 43.37 1ulp s ASP 90 CO 0.15 -0.13 0.34 0.42 -0.17 0.00 0.00 175.17 175.78 1ulp s THR 91 N 0.69 0.00 -0.18 1.71 -4.23 -1.15 -5.08 115.64 107.40 1ulp s THR 91 Ca 0.29 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1ulp s THR 91 Cb -0.01 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1ulp s THR 91 CO -0.10 0.00 -0.17 -0.44 -0.54 0.00 0.00 174.62 173.37 1ulp s SER 92 N -3.17 3.11 0.45 3.99 0.01 -1.26 -1.70 113.70 115.13 1ulp s SER 92 Ca 0.32 -0.68 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 1ulp s SER 92 Cb 0.02 -1.37 -0.08 0.00 0.21 0.00 0.00 66.02 64.80 1ulp s SER 92 CO 0.16 -0.04 1.11 -2.16 0.41 0.00 0.00 173.24 172.72 1ulp s PRO 93 N 1.35 3.87 0.08 12.44 0.04 -1.19 -4.89 135.00 146.69 1ulp s PRO 93 Ca 0.03 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1ulp s PRO 93 Cb -0.14 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1ulp s PRO 93 CO -0.11 -0.43 -0.02 0.00 0.04 0.00 0.00 177.00 176.47 1ulp s ALA 94 N -1.64 3.21 0.23 8.56 0.00 -1.26 -2.56 121.76 128.31 1ulp s ALA 94 Ca 0.63 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1ulp s ALA 94 Cb -0.25 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1ulp s ALA 94 CO 0.31 0.68 0.17 -0.51 0.00 0.00 0.00 175.76 176.41 1ulp s LEU 95 N -2.15 1.30 0.00 0.00 1.43 0.32 -4.84 118.68 114.74 1ulp s LEU 95 Ca 0.24 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1ulp s LEU 95 Cb -0.12 0.44 0.00 0.00 0.03 0.00 0.00 46.19 46.55 1ulp s LEU 95 CO 0.16 -0.90 0.00 1.07 0.23 0.00 0.00 176.35 176.91 1ulp n THR 96 N -0.36 0.00 0.19 5.49 5.66 -0.92 -3.15 114.28 121.19 1ulp n THR 96 Ca 0.03 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.11 1ulp n THR 96 Cb 0.65 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.79 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 1.63 0.34 -4.91 1.09 2.88 -1.15 -3.10 113.62 110.39 1ulp n SER 97 Ca 0.00 0.63 -0.31 0.00 -1.33 0.00 0.00 58.87 57.86 1ulp n SER 97 Cb 0.00 -0.69 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 1ulp n SER 97 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ulp s GLU 98 N -3.27 3.42 0.14 -1.46 2.12 -1.26 -5.00 118.70 113.39 1ulp s GLU 98 Ca 0.01 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 1ulp s GLU 98 Cb 0.05 -3.04 -0.08 0.00 0.26 0.00 0.00 34.13 31.32 1ulp s GLU 98 CO 0.18 0.62 1.38 -1.25 -0.54 0.00 0.00 175.26 175.65 1ulp s PRO 99 N -2.39 4.33 -0.49 4.30 0.04 -1.26 -4.76 135.00 134.78 1ulp s PRO 99 Ca 0.33 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1ulp s PRO 99 Cb -0.13 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1ulp s PRO 99 CO 0.26 -0.41 0.22 0.50 0.04 0.00 0.00 177.00 177.62 1ulp s ARG 100 N 0.75 1.90 0.77 4.56 3.52 -1.10 -5.03 118.95 124.32 1ulp s ARG 100 Ca 0.63 -2.46 -0.11 0.00 -0.13 0.00 0.00 55.73 53.66 1ulp s ARG 100 Cb -0.37 -3.31 0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1ulp s ARG 100 CO 0.33 -1.08 1.08 -0.65 -0.81 0.00 0.00 175.30 174.17 1ulp s GLN 101 N -0.03 2.32 -0.04 5.12 -0.21 -1.26 -2.40 119.66 123.16 1ulp s GLN 101 Ca 0.16 1.04 0.02 0.00 0.02 0.00 0.00 55.36 56.60 1ulp s GLN 101 Cb -0.24 -1.91 0.01 0.00 1.00 0.00 0.00 33.01 31.86 1ulp s GLN 101 CO -0.02 -1.56 -0.10 0.08 -2.12 0.00 0.00 175.29 171.57 1ulp s VAL 102 N -2.96 0.90 -0.40 1.09 1.01 0.30 -4.89 120.40 115.45 1ulp s VAL 102 Ca 0.61 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1ulp s VAL 102 Cb -0.16 -0.81 0.16 0.00 0.00 0.00 0.00 36.38 35.57 1ulp s VAL 102 CO 0.56 0.28 0.45 -0.89 0.00 0.00 0.00 175.10 175.50 1ulp s THR 103 N 0.35 -0.44 0.03 3.92 2.01 -1.25 -2.60 115.64 117.65 1ulp s THR 103 Ca -0.06 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 1ulp s THR 103 Cb -0.11 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1ulp s THR 103 CO 0.01 -0.50 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.80 1ulp s GLU 104 N 1.31 0.38 -0.09 4.92 0.41 -1.17 -5.01 118.70 119.45 1ulp s GLU 104 Ca 0.19 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 1ulp s GLU 104 Cb -0.11 0.10 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 1ulp s GLU 104 CO -0.05 -0.05 -0.08 0.99 -0.49 0.00 0.00 175.26 175.58 1ulp s THR 105 N -1.89 3.54 0.11 3.63 2.01 -1.26 -1.21 115.64 120.58 1ulp s THR 105 Ca -0.12 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.40 1ulp s THR 105 Cb -0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1ulp s THR 105 CO -0.02 0.57 -0.10 0.72 -0.69 0.00 0.00 174.62 175.10 1ulp s PHE 106 N -0.48 1.13 -0.97 4.92 -0.12 -0.21 -4.94 117.98 117.32 1ulp s PHE 106 Ca 0.07 -0.68 -0.18 0.00 -0.05 0.00 0.00 56.93 56.09 1ulp s PHE 106 Cb -0.12 -0.61 0.14 0.00 -0.63 0.00 0.00 43.02 41.81 1ulp s PHE 106 CO 0.02 0.02 1.16 0.99 -0.05 0.00 0.00 175.22 177.36 1ulp s THR 107 N -2.69 4.85 -0.64 -4.49 2.01 -1.26 -1.38 115.64 112.04 1ulp s THR 107 Ca 0.09 -1.83 -0.33 0.00 0.31 0.00 0.00 61.69 59.93 1ulp s THR 107 Cb -0.01 -4.78 -0.15 0.00 0.01 0.00 0.00 72.50 67.56 1ulp s THR 107 CO 0.00 -1.49 2.42 0.00 -0.69 0.00 0.00 174.62 174.86 1ulp n ALA 108 N 6.20 0.61 -1.73 7.40 0.00 -0.04 -4.71 120.51 128.24 1ulp n ALA 108 Ca 0.25 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1ulp n ALA 108 Cb 0.48 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 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 11.05 7.08 0.00 0.00 3.41 -1.26 -2.17 113.62 131.72 1ulp n SER 109 Ca 0.51 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1ulp n SER 109 Cb 0.18 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 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 1.01 0.00 -3.61 7.33 0.00 -1.01 -4.84 120.51 119.40 1ulp n ALA 110 Ca 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 1ulp n ALA 110 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.07 -0.38 -0.82 0.00 2.01 -1.26 0.17 115.64 113.28 1ulp s THR 111 Ca 0.00 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1ulp s THR 111 Cb 0.00 -0.50 0.24 0.00 0.01 0.00 0.00 72.50 72.25 1ulp s THR 111 CO 0.00 0.03 0.84 -1.22 -0.69 0.00 0.00 174.62 173.58 1ulp n TYR 112 N 5.34 3.61 -2.37 4.92 4.01 -0.78 -4.64 117.16 127.25 1ulp n TYR 112 Ca -0.06 -3.93 -0.41 0.00 -0.16 0.00 0.00 57.90 53.34 1ulp n TYR 112 Cb 0.50 -0.90 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 1ulp n TYR 112 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ulp s PRO 113 N -1.96 4.51 -0.17 -0.72 0.04 -1.26 -2.45 135.00 133.00 1ulp s PRO 113 Ca 0.32 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 1ulp s PRO 113 Cb 0.02 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 1ulp s PRO 113 CO -0.06 -0.02 2.69 0.00 0.04 0.00 0.00 177.00 179.65 1ulp n ALA 114 N 1.96 5.54 -3.84 8.56 0.00 -1.26 -3.87 120.51 127.60 1ulp n ALA 114 Ca 0.02 -1.61 -0.29 0.00 0.00 0.00 0.00 53.44 51.56 1ulp n ALA 114 Cb 0.44 -1.75 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.67 2.28 -0.18 0.00 -1.32 -1.26 -5.07 115.64 109.41 1ulp s THR 115 Ca 0.41 -3.48 -0.29 0.00 -1.21 0.00 0.00 61.69 57.12 1ulp s THR 115 Cb 0.24 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.66 1ulp s THR 115 CO -0.05 -0.93 1.40 -2.16 -2.21 0.00 0.00 174.62 170.66 1ulp s PRO 116 N -0.57 4.09 0.19 7.08 0.04 -1.26 -4.45 135.00 140.11 1ulp s PRO 116 Ca 0.21 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 1ulp s PRO 116 Cb -0.15 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1ulp s PRO 116 CO -0.08 -0.91 0.26 0.00 0.04 0.00 0.00 177.00 176.31 1ulp n ALA 117 N 7.20 -0.13 0.41 8.56 0.00 -1.21 -4.92 120.51 130.43 1ulp n ALA 117 Ca 0.15 -0.90 0.05 0.00 0.00 0.00 0.00 53.44 52.75 1ulp n ALA 117 Cb 0.45 0.72 0.24 0.00 0.00 0.00 0.00 19.45 20.86 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 -1.75 1.54 -1.90 0.00 0.00 -1.26 -3.27 120.51 113.87 1ulp n ALA 118 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ulp n ALA 118 Cb 0.32 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ulp n ALA 118 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ulp n ASP 119 N -1.45 0.00 -4.17 0.00 5.68 -1.26 -5.04 116.55 110.31 1ulp n ASP 119 Ca 0.03 -1.25 -0.39 0.00 -0.50 0.00 0.00 54.79 52.68 1ulp n ASP 119 Cb 0.12 -0.05 -0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ulp s ASP 120 N -0.25 5.59 -0.02 -1.12 1.11 -1.20 -5.02 116.67 115.75 1ulp s ASP 120 Ca 0.00 -2.25 -0.30 0.00 0.18 0.00 0.00 52.55 50.18 1ulp s ASP 120 Cb 0.00 -1.95 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 1ulp s ASP 120 CO 0.00 -0.57 1.21 -2.16 1.18 0.00 0.00 175.17 174.83 1ulp s PRO 121 N 0.85 4.37 0.00 8.23 0.04 -1.26 -3.28 135.00 143.95 1ulp s PRO 121 Ca 0.10 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1ulp s PRO 121 Cb -0.22 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1ulp s PRO 121 CO -0.03 -0.40 0.00 -0.85 0.04 0.00 0.00 177.00 175.76 1ulp n GLU 122 N 4.84 3.47 -4.07 4.56 0.00 -1.09 -4.12 120.64 124.23 1ulp n GLU 122 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.19 1ulp n GLU 122 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.80 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 -0.53 0.44 0.00 -1.84 0.00 -1.25 0.19 107.32 104.33 1ulp s GLY 123 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1ulp s GLY 123 CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.47 1ulp n GLN 124 N 0.25 0.00 -4.99 2.90 0.00 -0.68 -2.26 117.38 112.61 1ulp n GLN 124 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 57.00 56.54 1ulp n GLN 124 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.70 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ulp s ILE 125 N -2.05 2.38 -0.26 -0.39 1.01 -1.11 -3.02 121.20 117.77 1ulp s ILE 125 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 1ulp s ILE 125 Cb 0.00 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1ulp s ILE 125 CO 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 174.94 175.37 1ulp s ALA 126 N -0.76 2.77 -0.69 9.38 0.00 -0.91 -3.08 121.76 128.48 1ulp s ALA 126 Ca 0.12 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1ulp s ALA 126 Cb -0.10 -1.77 0.17 0.00 0.00 0.00 0.00 23.12 21.41 1ulp s ALA 126 CO 0.01 -0.83 0.48 -0.06 0.00 0.00 0.00 175.76 175.37 1ulp s PHE 127 N 1.36 3.48 -0.35 0.00 0.40 -0.60 -1.68 117.98 120.60 1ulp s PHE 127 Ca 0.01 -3.31 -0.23 0.00 -0.60 0.00 0.00 56.93 52.81 1ulp s PHE 127 Cb -0.17 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 40.70 1ulp s PHE 127 CO -0.03 -0.56 0.75 -0.65 0.70 0.00 0.00 175.22 175.43 1ulp s GLN 128 N -1.35 3.78 -0.79 0.44 -0.21 -0.83 0.92 119.66 121.62 1ulp s GLN 128 Ca 0.25 0.32 -0.02 0.00 0.02 0.00 0.00 55.36 55.92 1ulp s GLN 128 Cb -0.06 -3.79 0.32 0.00 1.00 0.00 0.00 33.01 30.48 1ulp s GLN 128 CO -0.16 -0.79 2.13 1.28 -2.12 0.00 0.00 175.29 175.63 1ulp n LEU 129 N 6.30 7.40 0.00 2.90 4.77 0.17 -2.70 117.00 135.84 1ulp n LEU 129 Ca 0.02 -4.72 -0.07 0.00 -0.03 0.00 0.00 56.01 51.21 1ulp n LEU 129 Cb 0.48 -1.09 0.07 0.00 -2.33 0.00 0.00 43.42 40.55 1ulp n LEU 129 CO 0.52 1.75 0.08 0.61 -1.33 0.00 0.00 177.39 179.01 1ulp n GLY 130 N -0.37 -2.50 3.54 -0.72 0.00 -1.10 -2.99 105.19 101.05 1ulp n GLY 130 Ca 0.54 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.98 -0.27 0.80 -0.02 0.00 -1.17 -4.29 105.19 99.27 1ulp n GLY 131 Ca 0.03 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 14.12 0.00 -2.32 1.61 3.72 -1.26 -4.82 117.46 128.51 1ulp n PHE 132 Ca 0.54 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.76 1ulp n PHE 132 Cb 0.33 -0.17 0.11 0.00 -0.94 0.00 0.00 39.48 38.81 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 -3.62 0.79 0.00 4.37 2.88 -1.26 -4.72 113.62 112.06 1ulp n SER 133 Ca -0.07 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1ulp n SER 133 Cb 0.28 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -3.10 0.87 -1.63 -1.46 0.00 -1.26 -2.85 120.51 111.07 1ulp n ALA 134 Ca -0.13 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 1ulp n ALA 134 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.84 5.40 -0.38 0.00 1.01 -1.26 0.17 116.67 118.78 1ulp s ASP 135 Ca 0.00 2.06 -0.44 0.00 0.71 0.00 0.00 52.55 54.88 1ulp s ASP 135 Cb 0.00 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.19 1ulp s ASP 135 CO 0.00 -1.43 1.62 0.00 0.21 0.00 0.00 175.17 175.57 1ulp n ALA 136 N -1.94 -1.01 -3.71 5.23 0.00 -1.26 -4.02 120.51 113.81 1ulp n ALA 136 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1ulp n ALA 136 Cb 0.52 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 4.37 0.00 -3.81 0.00 2.14 -0.22 -4.76 117.44 115.16 1ulp n TRP 137 Ca 0.28 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.78 1ulp n TRP 137 Cb 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.50 1ulp n TRP 137 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1ulp s THR 138 N -1.19 0.00 -0.11 -1.67 2.01 -1.26 -0.43 115.64 112.99 1ulp s THR 138 Ca 0.00 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.12 1ulp s THR 138 Cb 0.00 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1ulp s THR 138 CO 0.00 -0.00 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.01 1ulp s LEU 139 N -2.90 1.76 -0.34 4.42 1.02 -1.13 -3.70 118.68 117.81 1ulp s LEU 139 Ca 0.10 -0.44 0.03 0.00 0.02 0.00 0.00 54.13 53.84 1ulp s LEU 139 Cb -0.05 -1.11 0.10 0.00 0.02 0.00 0.00 46.19 45.15 1ulp s LEU 139 CO 0.04 0.03 0.07 0.00 0.02 0.00 0.00 176.35 176.51 1ulp n LEU 141 N 4.34 0.00 -0.56 0.00 4.77 -0.54 -2.32 117.00 122.69 1ulp n LEU 141 Ca 0.03 -1.54 -0.02 0.00 -0.03 0.00 0.00 56.01 54.44 1ulp n LEU 141 Cb 0.42 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ulp n LEU 141 CO 0.20 -0.87 0.16 -0.90 -1.33 0.00 0.00 177.39 174.65 1ulp n ASP 142 N -2.95 -0.31 0.00 -1.43 5.75 -1.22 -2.10 116.55 114.28 1ulp n ASP 142 Ca 0.12 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1ulp n ASP 142 Cb 0.44 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 143 N 0.00 0.00 -3.54 -1.12 -0.08 -1.26 -4.05 116.55 106.50 1ulp n ASP 143 Ca -0.09 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.09 1ulp n ASP 143 Cb 0.39 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.75 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ulp s VAL 144 N -0.08 -0.57 0.03 5.18 1.01 -1.10 -3.82 120.40 121.05 1ulp s VAL 144 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ulp s VAL 144 Cb 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1ulp s VAL 144 CO 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 175.10 175.08 1ulp s ALA 145 N 2.54 0.26 -0.29 5.51 0.00 -1.12 -3.85 121.76 124.80 1ulp s ALA 145 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ulp s ALA 145 Cb -0.13 0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.33 1ulp s ALA 145 CO -0.13 -0.26 0.32 -1.17 0.00 0.00 0.00 175.76 174.52 1ulp s LEU 146 N -2.10 -0.33 0.00 0.00 2.96 -1.26 -2.93 118.68 115.03 1ulp s LEU 146 Ca -0.06 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1ulp s LEU 146 Cb -0.02 0.61 0.00 0.00 0.50 0.00 0.00 46.19 47.28 1ulp s LEU 146 CO -0.05 -0.38 0.00 0.47 -1.32 0.00 0.00 176.35 175.07 1ulp n ASP 147 N 5.27 0.27 -3.53 3.68 8.00 -1.26 -4.87 116.55 124.11 1ulp n ASP 147 Ca -0.01 -0.66 -0.21 0.00 0.71 0.00 0.00 54.79 54.62 1ulp n ASP 147 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 1ulp n ASP 147 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ulp n SER 148 N -1.80 1.60 -4.54 -2.24 3.41 -1.26 -3.40 113.62 105.40 1ulp n SER 148 Ca 0.00 -2.72 -0.30 0.00 -0.26 0.00 0.00 58.87 55.59 1ulp n SER 148 Cb 0.00 0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1ulp n SER 148 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ulp n GLU 149 N -0.79 0.60 -0.15 4.33 2.13 -1.24 -4.66 120.64 120.87 1ulp n GLU 149 Ca -0.07 -0.22 0.08 0.00 0.66 0.00 0.00 57.16 57.61 1ulp n GLU 149 Cb 0.49 -2.86 0.11 0.00 0.27 0.00 0.00 31.44 29.46 1ulp n GLU 149 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ulp n VAL 150 N 7.83 1.55 -1.24 6.31 0.24 -1.26 -5.05 118.33 126.71 1ulp n VAL 150 Ca 0.49 -1.86 -0.32 0.00 -2.04 0.00 0.00 64.34 60.61 1ulp n VAL 150 Cb 0.37 -0.11 0.10 0.00 -1.47 0.00 0.00 33.84 32.74 1ulp n VAL 150 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ulp s GLU 151 N -2.36 1.98 0.00 7.34 -1.05 -1.26 -5.29 118.70 118.06 1ulp s GLU 151 Ca 0.26 1.46 0.00 0.00 -0.15 0.00 0.00 54.97 56.55 1ulp s GLU 151 Cb 0.23 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 1ulp s GLU 151 CO 0.02 -1.90 0.00 -0.11 0.95 0.00 0.00 175.26 174.23