#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp s SER 2 N 0.00 5.95 -1.21 0.00 0.15 -1.24 -3.81 113.70 113.53 1ulp s SER 2 Ca 0.00 -2.78 -0.21 0.00 0.70 0.00 0.00 55.95 53.66 1ulp s SER 2 Cb 0.00 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1ulp s SER 2 CO 0.00 -0.46 1.88 -0.81 1.20 0.00 0.00 173.24 175.05 1ulp n PRO 3 N 3.70 2.14 -1.01 5.44 -0.04 -1.25 -4.53 135.00 139.45 1ulp n PRO 3 Ca 0.11 -2.70 -0.05 0.00 -0.04 0.00 0.00 63.50 60.81 1ulp n PRO 3 Cb 0.42 -3.61 0.16 0.00 -0.04 0.00 0.00 33.50 30.43 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 7.20 2.41 -2.11 0.52 -5.35 -1.26 -4.91 119.36 115.86 1ulp n ILE 4 Ca 0.47 -3.36 0.00 0.00 -0.27 0.00 0.00 62.75 59.59 1ulp n ILE 4 Cb 0.46 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.02 0.73 3.51 3.28 0.00 -1.26 -4.84 105.19 105.59 1ulp n GLY 5 Ca 0.30 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.67 0.07 0.00 1.61 1.02 -1.23 -4.37 120.64 117.07 1ulp n GLU 6 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1ulp n GLU 6 Cb 0.46 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 5.97 -0.03 3.95 0.62 0.00 -1.22 -4.96 105.19 109.52 1ulp n GLY 7 Ca 0.65 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1ulp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 8 N -4.00 4.21 -0.22 2.61 -4.23 -1.26 -0.05 115.64 112.71 1ulp s THR 8 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1ulp s THR 8 Cb 0.00 -3.56 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1ulp s THR 8 CO 0.00 -0.41 1.71 0.49 -0.54 0.00 0.00 174.62 175.87 1ulp n PHE 9 N -2.07 1.20 -1.60 3.99 3.72 -1.23 -4.64 117.46 116.83 1ulp n PHE 9 Ca 0.00 -1.43 -0.34 0.00 -0.05 0.00 0.00 57.45 55.63 1ulp n PHE 9 Cb 0.57 -0.71 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ulp n ASP 10 N 0.26 7.66 0.00 4.37 2.03 -1.06 -3.77 116.55 126.04 1ulp n ASP 10 Ca 0.23 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1ulp n ASP 10 Cb 0.74 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 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 2.19 0.00 0.00 1.67 9.92 -1.26 -5.04 116.55 124.03 1ulp n ASP 11 Ca 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.89 1ulp n ASP 11 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ulp n GLY 12 N 0.00 2.71 0.00 0.44 0.00 -1.25 -4.80 105.19 102.29 1ulp n GLY 12 Ca 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.51 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 1.16 0.86 0.00 1.61 -0.04 -1.26 -4.76 135.00 132.56 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 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.67 0.00 -0.19 0.54 4.71 -1.26 -1.85 120.64 121.92 1ulp n GLU 14 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1ulp n GLU 14 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.46 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 -0.60 3.74 0.62 0.00 -1.26 -5.10 105.19 102.59 1ulp n GLY 15 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.09 0.14 1.61 0.52 -0.77 -4.57 118.94 118.96 1ulp s TRP 16 Ca 0.00 1.10 0.06 0.00 0.02 0.00 0.00 56.10 57.27 1ulp s TRP 16 Cb 0.00 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1ulp s TRP 16 CO 0.00 -2.40 -0.13 0.14 0.02 0.00 0.00 176.95 174.58 1ulp s VAL 17 N -0.01 1.32 -0.02 4.03 -7.23 -0.48 -4.95 120.40 113.06 1ulp s VAL 17 Ca 0.58 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1ulp s VAL 17 Cb -0.40 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1ulp s VAL 17 CO 0.42 -0.52 0.02 0.00 -0.31 0.00 0.00 175.10 174.70 1ulp s ALA 18 N -2.53 0.17 0.24 1.32 0.00 -1.26 -0.54 121.76 119.17 1ulp s ALA 18 Ca 0.12 0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.41 1ulp s ALA 18 Cb -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1ulp s ALA 18 CO 0.03 -0.08 -0.19 1.52 0.00 0.00 0.00 175.76 177.03 1ulp s TYR 19 N 0.95 2.15 -0.36 0.00 -0.85 -0.81 -4.57 117.35 113.85 1ulp s TYR 19 Ca -0.09 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1ulp s TYR 19 Cb -0.12 -0.97 0.00 0.00 0.38 0.00 0.00 41.96 41.25 1ulp s TYR 19 CO -0.02 0.59 0.18 0.41 -1.52 0.00 0.00 175.55 175.19 1ulp n GLY 20 N -0.38 0.44 0.00 5.49 0.00 -1.26 -2.76 105.19 106.73 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 -3.42 0.00 -1.25 2.61 -2.24 -1.26 -4.40 114.28 104.32 1ulp n THR 21 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1ulp n THR 21 Cb 0.53 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 1ulp n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ulp n ASP 22 N -0.13 7.22 0.00 3.42 -0.08 -1.17 -4.95 116.55 120.86 1ulp n ASP 22 Ca 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 54.79 49.62 1ulp n ASP 22 Cb 0.00 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.48 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ulp n GLY 23 N -0.75 1.94 3.75 0.27 0.00 -1.26 -5.01 105.19 104.12 1ulp n GLY 23 Ca 0.58 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.47 4.57 1.01 1.61 0.04 -1.26 -4.80 135.00 134.70 1ulp s PRO 24 Ca 0.00 1.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 1ulp s PRO 24 Cb 0.00 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 1ulp s PRO 24 CO 0.00 0.09 -0.95 1.47 0.04 0.00 0.00 177.00 177.65 1ulp n LEU 25 N 1.57 -3.93 -3.74 -3.56 -0.00 -1.26 -4.89 117.00 101.19 1ulp n LEU 25 Ca 0.01 0.09 -0.14 0.00 -0.00 0.00 0.00 56.01 55.97 1ulp n LEU 25 Cb 0.45 -0.71 -0.08 0.00 -0.00 0.00 0.00 43.42 43.08 1ulp n LEU 25 CO 0.55 -4.09 0.06 -1.81 -0.00 0.00 0.00 177.39 172.10 1ulp s ASP 26 N -1.17 -0.23 0.00 1.45 1.01 -1.14 -5.02 116.67 111.57 1ulp s ASP 26 Ca 0.41 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.79 1ulp s ASP 26 Cb -0.06 0.34 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1ulp s ASP 26 CO 0.73 -0.48 0.00 0.35 0.21 0.00 0.00 175.17 175.98 1ulp n THR 27 N 1.17 0.00 0.00 -1.27 -2.24 -1.26 -0.58 114.28 110.10 1ulp n THR 27 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1ulp n THR 27 Cb 0.56 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.45 0.00 -0.45 3.42 2.88 -1.26 -3.25 113.62 113.50 1ulp n SER 28 Ca 0.00 0.00 0.40 0.00 -1.33 0.00 0.00 58.87 57.94 1ulp n SER 28 Cb 0.00 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.10 1ulp n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp h THR 29 N 0.00 0.02 0.00 2.46 1.03 -1.96 -3.43 112.91 111.03 1ulp h THR 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ulp h THR 29 Cb 0.00 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.10 1ulp h THR 29 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1ulp n GLY 30 N -1.82 4.02 3.84 2.99 0.00 -1.20 -5.01 105.19 108.01 1ulp n GLY 30 Ca 0.33 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N 0.00 3.56 -0.86 4.61 0.00 -1.26 -2.57 121.76 125.24 1ulp s ALA 31 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.61 1ulp s ALA 31 Cb 0.00 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1ulp s ALA 31 CO 0.00 0.44 1.39 -1.17 0.00 0.00 0.00 175.76 176.43 1ulp s LEU 32 N -1.93 3.31 -0.33 0.00 2.96 -1.10 -4.30 118.68 117.29 1ulp s LEU 32 Ca 0.38 -0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 1ulp s LEU 32 Cb -0.15 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1ulp s LEU 32 CO 0.19 -1.74 0.49 0.00 -1.32 0.00 0.00 176.35 173.97 1ulp s VAL 34 N 2.33 4.76 -1.25 0.00 -7.23 -0.96 -2.88 120.40 115.18 1ulp s VAL 34 Ca 0.18 1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 61.31 1ulp s VAL 34 Cb -0.16 -3.84 0.16 0.00 0.56 0.00 0.00 36.38 33.11 1ulp s VAL 34 CO 0.12 0.42 1.62 0.00 -0.31 0.00 0.00 175.10 176.95 1ulp n ALA 35 N 1.31 4.37 -2.14 1.32 0.00 -1.26 -2.90 120.51 121.21 1ulp n ALA 35 Ca -0.08 -4.22 -0.42 0.00 0.00 0.00 0.00 53.44 48.71 1ulp n ALA 35 Cb 0.51 -3.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1ulp n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ulp s VAL 36 N 1.46 3.52 1.24 0.00 1.01 -0.13 -3.05 120.40 124.45 1ulp s VAL 36 Ca 0.43 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 1ulp s VAL 36 Cb 0.02 -3.59 0.30 0.00 0.00 0.00 0.00 36.38 33.11 1ulp s VAL 36 CO 0.01 -0.00 1.04 -2.16 0.00 0.00 0.00 175.10 173.98 1ulp s PRO 37 N 2.47 -1.52 -0.08 2.72 0.04 -1.26 -1.70 135.00 135.68 1ulp s PRO 37 Ca 0.67 0.21 -0.35 0.00 0.04 0.00 0.00 61.00 61.57 1ulp s PRO 37 Cb -0.34 -1.54 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 1ulp s PRO 37 CO 0.28 -3.96 1.81 0.00 0.04 0.00 0.00 177.00 175.17 1ulp n ALA 38 N -4.99 0.74 -1.98 8.56 0.00 -1.26 -1.81 120.51 119.76 1ulp n ALA 38 Ca 0.10 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1ulp n ALA 38 Cb 0.59 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 4.20 -0.35 3.89 0.00 0.00 0.73 -1.90 105.19 111.76 1ulp n GLY 39 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.86 -2.75 -4.75 1.61 7.64 -0.75 -3.75 113.62 110.01 1ulp n SER 40 Ca 0.00 -0.84 -0.39 0.00 1.01 0.00 0.00 58.87 58.65 1ulp n SER 40 Cb 0.35 -1.04 -0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp s ALA 41 N -3.85 3.46 -1.75 -0.43 0.00 -0.80 -0.64 121.76 117.75 1ulp s ALA 41 Ca 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1ulp s ALA 41 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1ulp s ALA 41 CO 0.64 0.11 0.00 0.00 0.00 0.00 0.00 175.76 176.52 1ulp n GLN 42 N 2.93 -1.73 -2.85 0.00 10.64 -1.26 -4.90 117.38 120.21 1ulp n GLN 42 Ca -0.06 0.99 -0.03 0.00 -1.83 0.00 0.00 57.00 56.08 1ulp n GLN 42 Cb 0.51 -5.66 0.01 0.00 -0.86 0.00 0.00 30.24 24.24 1ulp n GLN 42 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1ulp s TYR 43 N -3.02 -1.49 -0.75 2.61 2.02 -1.25 -5.07 117.35 110.40 1ulp s TYR 43 Ca 0.00 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 56.09 1ulp s TYR 43 Cb -0.00 0.29 -0.15 0.00 -0.40 0.00 0.00 41.96 41.70 1ulp s TYR 43 CO 0.00 -1.13 2.54 0.41 -1.57 0.00 0.00 175.55 175.79 1ulp n GLY 44 N 3.24 -0.16 3.56 0.71 0.00 -1.26 -4.48 105.19 106.80 1ulp n GLY 44 Ca 0.16 0.84 -0.43 0.00 0.00 0.00 0.00 46.02 46.59 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 10.48 4.64 0.00 1.61 1.01 -1.15 -4.53 120.40 132.47 1ulp s VAL 45 Ca 1.16 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1ulp s VAL 45 Cb -0.68 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.39 1ulp s VAL 45 CO 0.37 -0.63 -0.05 -0.83 0.00 0.00 0.00 175.10 173.96 1ulp s GLY 46 N 2.04 0.25 -0.21 4.51 0.00 -1.11 0.14 107.32 112.95 1ulp s GLY 46 Ca 0.32 -0.28 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 1ulp s GLY 46 CO 0.21 -0.26 0.04 0.14 0.00 0.00 0.00 173.10 173.23 1ulp s VAL 47 N -0.33 4.34 0.06 1.40 1.01 -0.08 -1.93 120.40 124.86 1ulp s VAL 47 Ca -0.01 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1ulp s VAL 47 Cb -0.03 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1ulp s VAL 47 CO -0.00 0.42 -0.26 0.68 0.00 0.00 0.00 175.10 175.93 1ulp s VAL 48 N 0.92 2.17 -0.33 2.92 -7.23 0.30 -1.62 120.40 117.53 1ulp s VAL 48 Ca 0.03 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1ulp s VAL 48 Cb -0.14 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.05 1ulp s VAL 48 CO 0.02 0.32 0.14 -0.22 -0.31 0.00 0.00 175.10 175.06 1ulp s LEU 49 N -1.37 1.61 0.06 1.32 2.96 -1.15 -1.38 118.68 120.73 1ulp s LEU 49 Ca 0.12 -1.75 -0.31 0.00 -0.22 0.00 0.00 54.13 51.98 1ulp s LEU 49 Cb -0.10 -0.66 -0.06 0.00 0.50 0.00 0.00 46.19 45.87 1ulp s LEU 49 CO 0.03 -0.39 1.21 0.20 -1.32 0.00 0.00 176.35 176.08 1ulp s ASN 50 N 1.52 7.06 0.00 3.68 -0.87 -1.26 -2.77 114.94 122.29 1ulp s ASN 50 Ca 0.12 2.02 0.00 0.00 -1.57 0.00 0.00 52.86 53.43 1ulp s ASN 50 Cb -0.19 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.47 1ulp s ASN 50 CO -0.21 -0.49 0.00 0.61 -2.57 0.00 0.00 177.10 174.44 1ulp n GLY 51 N 3.25 -0.67 3.57 0.66 0.00 -1.24 -4.99 105.19 105.76 1ulp n GLY 51 Ca 0.09 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 1.61 -0.35 1.61 1.01 -1.00 -3.93 120.40 119.35 1ulp s VAL 52 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.00 1ulp s VAL 52 Cb 0.00 -2.85 0.15 0.00 0.00 0.00 0.00 36.38 33.68 1ulp s VAL 52 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 175.10 175.44 1ulp s ALA 53 N -2.95 -0.27 0.19 5.51 0.00 -0.86 -4.25 121.76 119.12 1ulp s ALA 53 Ca 0.33 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1ulp s ALA 53 Cb 0.09 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1ulp s ALA 53 CO 0.16 -2.05 -0.18 0.42 0.00 0.00 0.00 175.76 174.11 1ulp s ILE 54 N 1.58 1.93 -0.09 0.00 -1.09 -1.10 -4.66 121.20 117.78 1ulp s ILE 54 Ca 0.15 -2.05 -0.04 0.00 -2.23 0.00 0.00 60.65 56.48 1ulp s ILE 54 Cb -0.16 -1.96 0.04 0.00 -1.58 0.00 0.00 42.46 38.80 1ulp s ILE 54 CO -0.09 -0.37 0.20 -0.70 -1.23 0.00 0.00 174.94 172.75 1ulp s GLU 55 N -3.04 0.16 0.00 2.79 2.12 -1.18 -0.77 118.70 118.77 1ulp s GLU 55 Ca 0.19 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1ulp s GLU 55 Cb -0.05 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.20 1ulp s GLU 55 CO 0.08 -0.16 0.00 -0.85 -0.54 0.00 0.00 175.26 173.79 1ulp n GLU 56 N 4.17 0.00 -2.70 4.30 0.28 0.29 -3.10 120.64 123.88 1ulp n GLU 56 Ca -0.25 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.32 1ulp n GLU 56 Cb 0.53 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.38 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 1.67 0.47 -1.84 0.00 -1.21 -2.12 107.32 104.28 1ulp s GLY 57 Ca 0.00 -2.70 0.06 0.00 0.00 0.00 0.00 44.72 42.08 1ulp s GLY 57 CO 0.00 2.46 0.32 -1.59 0.00 0.00 0.00 173.10 174.29 1ulp s THR 58 N 3.79 2.10 0.27 0.90 2.01 -0.37 -4.88 115.64 119.46 1ulp s THR 58 Ca 0.45 -1.53 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 1ulp s THR 58 Cb -0.00 -2.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 1ulp s THR 58 CO -0.04 0.00 0.60 -0.89 -0.69 0.00 0.00 174.62 173.60 1ulp s THR 59 N -2.64 4.90 0.37 -0.82 2.01 -1.26 -0.47 115.64 117.72 1ulp s THR 59 Ca 0.39 0.48 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 1ulp s THR 59 Cb -0.00 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.91 1ulp s THR 59 CO 0.23 -0.18 0.79 -0.31 -0.69 0.00 0.00 174.62 174.46 1ulp s TYR 60 N -1.94 0.10 -0.17 4.92 2.02 -0.63 -3.84 117.35 117.79 1ulp s TYR 60 Ca 0.48 -0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1ulp s TYR 60 Cb -0.11 0.83 0.08 0.00 -0.40 0.00 0.00 41.96 42.36 1ulp s TYR 60 CO 0.23 -1.54 0.36 0.99 -1.57 0.00 0.00 175.55 174.03 1ulp s THR 61 N -2.42 -0.56 -0.25 -0.71 2.01 -1.21 -1.94 115.64 110.55 1ulp s THR 61 Ca 0.15 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 1ulp s THR 61 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1ulp s THR 61 CO 0.11 0.08 0.64 -0.22 -0.69 0.00 0.00 174.62 174.54 1ulp s LEU 62 N 2.54 4.06 -0.02 4.42 2.96 -0.66 -4.26 118.68 127.72 1ulp s LEU 62 Ca -0.00 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1ulp s LEU 62 Cb -0.12 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1ulp s LEU 62 CO -0.11 -0.38 -0.20 -0.60 -1.32 0.00 0.00 176.35 173.74 1ulp s ARG 63 N 2.52 1.74 -0.30 1.98 3.52 -1.14 -2.48 118.95 124.79 1ulp s ARG 63 Ca 0.26 -0.71 -0.26 0.00 -0.13 0.00 0.00 55.73 54.89 1ulp s ARG 63 Cb -0.15 -1.63 0.19 0.00 -1.56 0.00 0.00 34.95 31.80 1ulp s ARG 63 CO 0.08 0.39 1.43 1.52 -0.81 0.00 0.00 175.30 177.92 1ulp s TYR 64 N -0.35 -0.05 -0.45 5.12 -0.85 -0.25 -2.43 117.35 118.10 1ulp s TYR 64 Ca 0.05 0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.74 1ulp s TYR 64 Cb -0.09 0.49 0.12 0.00 0.38 0.00 0.00 41.96 42.86 1ulp s TYR 64 CO 0.00 -0.03 0.18 0.99 -1.52 0.00 0.00 175.55 175.18 1ulp s THR 65 N -0.20 2.57 0.23 -3.49 2.01 -1.26 -0.95 115.64 114.54 1ulp s THR 65 Ca 0.08 -2.86 0.00 0.00 0.31 0.00 0.00 61.69 59.23 1ulp s THR 65 Cb -0.04 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1ulp s THR 65 CO -0.14 -0.72 0.40 0.00 -0.69 0.00 0.00 174.62 173.47 1ulp s ALA 66 N 0.26 3.83 -0.17 7.40 0.00 -0.85 -2.62 121.76 129.62 1ulp s ALA 66 Ca 0.14 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1ulp s ALA 66 Cb -0.23 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.01 1ulp s ALA 66 CO -0.04 0.35 0.34 0.99 0.00 0.00 0.00 175.76 177.40 1ulp s THR 67 N -1.94 -0.54 -0.15 0.00 2.01 -0.75 -2.40 115.64 111.87 1ulp s THR 67 Ca 0.38 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 1ulp s THR 67 Cb -0.10 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1ulp s THR 67 CO 0.30 0.09 -0.02 0.00 -0.69 0.00 0.00 174.62 174.30 1ulp s ALA 68 N 2.52 3.08 -1.08 7.40 0.00 -1.14 -2.14 121.76 130.40 1ulp s ALA 68 Ca -0.00 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1ulp s ALA 68 Cb -0.12 -1.58 0.36 0.00 0.00 0.00 0.00 23.12 21.78 1ulp s ALA 68 CO -0.11 0.26 1.24 0.45 0.00 0.00 0.00 175.76 177.60 1ulp n SER 69 N 3.34 0.00 -0.43 0.00 2.88 -1.26 -1.60 113.62 116.55 1ulp n SER 69 Ca -0.17 0.44 0.09 0.00 -1.33 0.00 0.00 58.87 57.90 1ulp n SER 69 Cb 0.53 -0.46 0.19 0.00 -0.75 0.00 0.00 64.21 63.71 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ulp n THR 70 N -1.46 2.02 -3.80 2.46 5.66 -1.26 -4.76 114.28 113.13 1ulp n THR 70 Ca 0.02 -2.05 -0.29 0.00 -3.05 0.00 0.00 64.05 58.68 1ulp n THR 70 Cb 0.09 -0.21 0.01 0.00 -1.55 0.00 0.00 70.33 68.67 1ulp n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ulp n ASP 71 N -0.98 -4.93 -4.87 1.09 2.03 -0.63 -4.92 116.55 103.34 1ulp n ASP 71 Ca 0.18 -0.99 -0.36 0.00 0.52 0.00 0.00 54.79 54.13 1ulp n ASP 71 Cb 0.73 -2.10 -0.06 0.00 -0.72 0.00 0.00 41.12 38.98 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 -3.17 5.34 -0.67 5.18 0.11 -1.22 -4.78 120.40 121.19 1ulp s VAL 72 Ca 0.17 0.30 0.05 0.00 -2.93 0.00 0.00 61.98 59.57 1ulp s VAL 72 Cb -0.09 -3.52 0.16 0.00 -1.53 0.00 0.00 36.38 31.40 1ulp s VAL 72 CO 0.90 0.51 0.45 -0.89 -3.33 0.00 0.00 175.10 172.74 1ulp s THR 73 N -1.15 2.86 0.00 5.04 2.01 -1.26 -1.47 115.64 121.67 1ulp s THR 73 Ca 0.22 -4.05 0.00 0.00 0.31 0.00 0.00 61.69 58.17 1ulp s THR 73 Cb -0.13 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ulp s THR 73 CO 0.11 -0.96 0.00 1.33 -0.69 0.00 0.00 174.62 174.41 1ulp n VAL 74 N 2.25 0.00 -4.37 3.82 0.24 -1.26 -4.89 118.33 114.12 1ulp n VAL 74 Ca 0.16 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.26 1ulp n VAL 74 Cb 0.34 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.50 0.92 0.03 7.34 0.52 -1.16 -3.65 118.95 125.45 1ulp s ARG 75 Ca 0.00 -0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 1ulp s ARG 75 Cb 0.00 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.58 1ulp s ARG 75 CO 0.00 0.23 0.33 0.00 0.02 0.00 0.00 175.30 175.88 1ulp s ALA 76 N -0.78 -0.78 0.00 2.13 0.00 -0.76 -1.08 121.76 120.48 1ulp s ALA 76 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1ulp s ALA 76 Cb -0.07 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1ulp s ALA 76 CO 0.01 -0.38 0.00 1.47 0.00 0.00 0.00 175.76 176.86 1ulp n LEU 77 N 0.76 0.00 -3.89 0.00 -0.00 -0.80 -2.98 117.00 110.08 1ulp n LEU 77 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.72 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 0.21 0.00 0.06 -0.69 -0.00 0.00 0.00 177.39 176.98 1ulp s VAL 78 N -4.00 0.06 0.06 1.47 1.01 -1.26 -2.43 120.40 115.31 1ulp s VAL 78 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 1ulp s VAL 78 Cb 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.67 1ulp s VAL 78 CO 0.00 -0.25 0.64 0.61 0.00 0.00 0.00 175.10 176.09 1ulp n GLY 79 N -0.25 0.71 0.00 4.51 0.00 -1.18 -3.26 105.19 105.72 1ulp n GLY 79 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.45 3.31 -2.90 1.61 7.27 0.37 -1.82 117.38 124.77 1ulp n GLN 80 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1ulp n GLN 80 Cb 0.33 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.98 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 -1.00 -1.35 0.00 1.69 0.01 0.56 -4.43 114.94 110.42 1ulp s ASN 81 Ca 0.00 -1.27 0.00 0.00 -0.71 0.00 0.00 52.86 50.88 1ulp s ASN 81 Cb 0.00 1.75 0.00 0.00 0.41 0.00 0.00 41.25 43.41 1ulp s ASN 81 CO 0.00 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1ulp n GLY 82 N 3.41 3.82 3.24 0.66 0.00 -1.26 -2.62 105.19 112.44 1ulp n GLY 82 Ca 0.15 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.17 -3.17 1.79 4.61 0.00 -1.26 -1.21 120.51 121.10 1ulp n ALA 83 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ulp n ALA 83 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.50 1.01 -1.22 0.00 -0.04 -1.26 -4.49 135.00 130.49 1ulp n PRO 84 Ca 0.07 -0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1ulp n PRO 84 Cb 0.48 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.39 -3.24 0.00 0.54 4.01 -0.35 -5.05 117.16 112.68 1ulp n TYR 85 Ca 0.00 1.76 0.00 0.00 -0.16 0.00 0.00 57.90 59.50 1ulp n TYR 85 Cb 0.05 -2.95 0.00 0.00 -0.31 0.00 0.00 39.34 36.14 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -4.00 1.38 3.48 2.72 0.00 -1.26 -4.94 105.19 102.57 1ulp n GLY 86 Ca -0.06 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.19 2.68 0.00 2.61 -4.23 -1.26 -0.48 115.64 114.77 1ulp s THR 87 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1ulp s THR 87 Cb 0.00 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1ulp s THR 87 CO 0.00 -0.07 0.00 1.33 -0.54 0.00 0.00 174.62 175.34 1ulp n VAL 88 N 0.33 0.00 -4.14 2.29 0.24 -1.20 -4.76 118.33 111.08 1ulp n VAL 88 Ca -0.13 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.84 1ulp n VAL 88 Cb 0.55 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 1ulp n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulp s LEU 89 N -2.71 3.85 -0.46 1.34 1.02 -1.25 -4.85 118.68 115.60 1ulp s LEU 89 Ca 0.00 0.15 0.06 0.00 0.02 0.00 0.00 54.13 54.36 1ulp s LEU 89 Cb 0.00 -2.17 0.20 0.00 0.02 0.00 0.00 46.19 44.24 1ulp s LEU 89 CO 0.00 0.30 0.62 -0.90 0.02 0.00 0.00 176.35 176.39 1ulp n ASP 90 N 1.38 -2.00 -2.94 2.29 5.75 -1.26 -4.10 116.55 115.67 1ulp n ASP 90 Ca -0.14 -2.81 -0.16 0.00 -0.01 0.00 0.00 54.79 51.67 1ulp n ASP 90 Cb 0.53 0.78 -0.06 0.00 -1.03 0.00 0.00 41.12 41.34 1ulp n ASP 90 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ulp n THR 91 N 2.45 0.00 -5.00 2.12 -2.24 -1.16 -5.07 114.28 105.37 1ulp n THR 91 Ca 0.20 -2.00 -0.32 0.00 -2.27 0.00 0.00 64.05 59.66 1ulp n THR 91 Cb 0.55 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.67 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 -3.05 3.11 -1.17 3.42 0.01 -1.26 -1.83 113.70 112.93 1ulp s SER 92 Ca 0.33 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 56.80 1ulp s SER 92 Cb 0.01 -1.43 -0.06 0.00 0.21 0.00 0.00 66.02 64.75 1ulp s SER 92 CO 0.23 0.13 1.90 -0.81 0.41 0.00 0.00 173.24 175.10 1ulp n PRO 93 N 3.74 1.99 -1.71 12.44 -0.04 -1.24 -4.88 135.00 145.30 1ulp n PRO 93 Ca -0.19 -2.57 -0.42 0.00 -0.04 0.00 0.00 63.50 60.28 1ulp n PRO 93 Cb 0.52 -3.55 -0.01 0.00 -0.04 0.00 0.00 33.50 30.43 1ulp n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 94 N 11.79 1.50 -2.18 0.55 0.00 -1.26 -4.11 120.51 126.80 1ulp n ALA 94 Ca 0.47 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 54.16 1ulp n ALA 94 Cb 0.45 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1ulp n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s LEU 95 N -1.13 2.50 0.00 0.00 1.43 -0.54 -4.92 118.68 116.01 1ulp s LEU 95 Ca 0.56 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1ulp s LEU 95 Cb -0.56 -0.08 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1ulp s LEU 95 CO 0.62 -0.46 0.69 1.07 0.23 0.00 0.00 176.35 178.49 1ulp n THR 96 N -0.06 0.00 0.24 5.49 5.66 -1.25 -3.42 114.28 120.95 1ulp n THR 96 Ca -0.12 -1.00 0.09 0.00 -3.05 0.00 0.00 64.05 59.97 1ulp n THR 96 Cb 0.61 0.92 0.62 0.00 -1.55 0.00 0.00 70.33 70.93 1ulp n THR 96 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ulp h SER 97 N 1.81 0.00 -2.45 1.09 0.87 -1.85 -3.03 113.55 109.99 1ulp h SER 97 Ca -0.30 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.80 1ulp h SER 97 Cb 1.13 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.17 1ulp h SER 97 CO 0.38 0.15 0.13 -1.61 -0.53 0.00 0.00 176.83 175.35 1ulp s GLU 98 N -4.47 1.68 0.20 2.24 2.02 -1.26 -4.92 118.70 114.19 1ulp s GLU 98 Ca -0.04 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 1ulp s GLU 98 Cb 0.15 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 32.00 1ulp s GLU 98 CO 0.64 -1.46 1.21 -1.25 0.02 0.00 0.00 175.26 174.42 1ulp s PRO 99 N -5.19 4.48 -0.46 0.39 0.04 -1.26 -4.73 135.00 128.27 1ulp s PRO 99 Ca 0.66 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.65 1ulp s PRO 99 Cb -0.06 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.38 1ulp s PRO 99 CO 0.45 -0.09 0.19 1.03 0.04 0.00 0.00 177.00 178.61 1ulp s ARG 100 N -0.40 1.82 -0.74 4.56 0.52 -1.01 -5.00 118.95 118.70 1ulp s ARG 100 Ca 0.52 -2.37 -0.22 0.00 -0.52 0.00 0.00 55.73 53.15 1ulp s ARG 100 Cb -0.34 -3.29 0.08 0.00 0.52 0.00 0.00 34.95 31.93 1ulp s ARG 100 CO 0.38 -1.05 1.04 -1.14 0.02 0.00 0.00 175.30 174.55 1ulp s GLN 101 N 0.12 3.25 -0.03 3.54 0.74 -1.26 -2.01 119.66 124.01 1ulp s GLN 101 Ca 0.15 -1.03 -0.20 0.00 0.05 0.00 0.00 55.36 54.33 1ulp s GLN 101 Cb -0.24 -4.44 -0.05 0.00 1.10 0.00 0.00 33.01 29.38 1ulp s GLN 101 CO -0.03 -1.84 0.57 0.08 -0.55 0.00 0.00 175.29 173.52 1ulp s VAL 102 N 3.88 4.98 -0.15 1.34 1.01 -0.13 -4.95 120.40 126.39 1ulp s VAL 102 Ca 0.26 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 1ulp s VAL 102 Cb -0.13 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.40 1ulp s VAL 102 CO 0.05 0.40 0.37 -0.89 0.00 0.00 0.00 175.10 175.03 1ulp s THR 103 N -0.03 -0.02 -0.27 3.92 2.01 -1.26 -2.32 115.64 117.67 1ulp s THR 103 Ca 0.30 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 1ulp s THR 103 Cb -0.17 -0.54 0.08 0.00 0.01 0.00 0.00 72.50 71.87 1ulp s THR 103 CO 0.16 0.03 0.72 -1.61 -0.69 0.00 0.00 174.62 173.22 1ulp s GLU 104 N 0.92 0.77 -0.16 4.92 2.02 -1.04 -4.99 118.70 121.14 1ulp s GLU 104 Ca -0.06 1.09 -0.20 0.00 0.02 0.00 0.00 54.97 55.82 1ulp s GLU 104 Cb -0.06 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 1ulp s GLU 104 CO -0.07 -0.12 0.58 0.99 0.02 0.00 0.00 175.26 176.66 1ulp s THR 105 N 0.92 5.08 0.11 3.63 2.01 -1.26 -1.65 115.64 124.48 1ulp s THR 105 Ca -0.04 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.11 1ulp s THR 105 Cb -0.05 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1ulp s THR 105 CO -0.08 0.19 -0.11 0.72 -0.69 0.00 0.00 174.62 174.65 1ulp s PHE 106 N 1.42 1.14 -0.78 4.92 -0.12 -0.82 -4.96 117.98 118.78 1ulp s PHE 106 Ca 0.28 -0.66 -0.20 0.00 -0.05 0.00 0.00 56.93 56.30 1ulp s PHE 106 Cb -0.16 -0.61 0.11 0.00 -0.63 0.00 0.00 43.02 41.73 1ulp s PHE 106 CO 0.11 0.03 1.00 0.99 -0.05 0.00 0.00 175.22 177.30 1ulp s THR 107 N -2.56 4.62 -0.41 -4.49 2.01 -1.26 -1.60 115.64 111.96 1ulp s THR 107 Ca 0.08 -1.10 -0.32 0.00 0.31 0.00 0.00 61.69 60.66 1ulp s THR 107 Cb -0.02 -4.70 -0.10 0.00 0.01 0.00 0.00 72.50 67.69 1ulp s THR 107 CO 0.00 -1.42 2.28 0.00 -0.69 0.00 0.00 174.62 174.79 1ulp n ALA 108 N 6.85 1.09 -1.84 7.40 0.00 0.37 -4.64 120.51 129.74 1ulp n ALA 108 Ca 0.09 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 1ulp n ALA 108 Cb 0.47 -2.70 -0.01 0.00 0.00 0.00 0.00 19.45 17.21 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 11.24 7.16 0.00 0.00 3.41 -1.25 -1.24 113.62 132.93 1ulp n SER 109 Ca 0.41 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1ulp n SER 109 Cb 0.30 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 0.58 0.00 -3.63 7.33 0.00 -0.90 -4.76 120.51 119.13 1ulp n ALA 110 Ca 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1ulp n ALA 110 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.67 -0.43 -0.79 0.00 2.01 -1.26 0.11 115.64 113.60 1ulp s THR 111 Ca 0.00 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1ulp s THR 111 Cb 0.00 -0.50 0.27 0.00 0.01 0.00 0.00 72.50 72.28 1ulp s THR 111 CO 0.00 0.07 0.99 -1.22 -0.69 0.00 0.00 174.62 173.77 1ulp n TYR 112 N 5.35 3.19 0.00 4.92 4.01 0.05 -4.40 117.16 130.28 1ulp n TYR 112 Ca -0.06 -3.63 0.00 0.00 -0.16 0.00 0.00 57.90 54.05 1ulp n TYR 112 Cb 0.50 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 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 1.02 1.15 -1.10 -0.72 -0.04 -1.26 -2.04 135.00 132.02 1ulp n PRO 113 Ca 0.28 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1ulp n PRO 113 Cb 0.38 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.64 -3.67 0.55 0.00 -1.26 -2.90 120.51 112.87 1ulp n ALA 114 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 53.44 51.71 1ulp n ALA 114 Cb 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 1ulp n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ulp s THR 115 N 0.00 0.54 -0.19 0.00 -4.23 -1.26 -5.04 115.64 105.45 1ulp s THR 115 Ca 0.16 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1ulp s THR 115 Cb 0.18 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1ulp s THR 115 CO -0.08 -0.65 1.35 -2.16 -0.54 0.00 0.00 174.62 172.54 1ulp s PRO 116 N 1.79 4.10 0.00 3.99 0.04 -1.23 -4.63 135.00 139.06 1ulp s PRO 116 Ca 0.09 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ulp s PRO 116 Cb -0.17 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1ulp s PRO 116 CO -0.28 -0.89 0.00 0.00 0.04 0.00 0.00 177.00 175.88 1ulp n ALA 117 N 7.12 0.00 0.24 8.56 0.00 -1.15 -4.89 120.51 130.39 1ulp n ALA 117 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1ulp n ALA 117 Cb 0.45 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.59 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp h ALA 118 N 1.00 1.14 0.00 0.00 0.00 -2.04 -3.25 119.26 116.10 1ulp h ALA 118 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ulp h ALA 118 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1ulp h ALA 118 CO 0.00 -0.14 -0.12 -3.47 0.00 0.00 0.00 179.25 175.53 1ulp n ASP 119 N -2.49 -0.41 -4.14 0.00 2.03 -1.26 -5.07 116.55 105.21 1ulp n ASP 119 Ca -0.02 -0.91 -0.38 0.00 0.52 0.00 0.00 54.79 54.00 1ulp n ASP 119 Cb 0.20 0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.65 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ulp s ASP 120 N -0.41 5.67 0.64 1.67 1.11 -1.23 -4.85 116.67 119.27 1ulp s ASP 120 Ca 0.00 -3.00 -0.14 0.00 0.18 0.00 0.00 52.55 49.59 1ulp s ASP 120 Cb 0.00 -1.93 -0.01 0.00 1.07 0.00 0.00 42.92 42.05 1ulp s ASP 120 CO 0.00 -0.37 1.07 -2.16 1.18 0.00 0.00 175.17 174.89 1ulp s PRO 121 N -0.29 3.04 0.00 8.23 0.04 -1.26 -2.94 135.00 141.83 1ulp s PRO 121 Ca 0.19 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1ulp s PRO 121 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ulp s PRO 121 CO -0.06 -1.03 0.00 -0.85 0.04 0.00 0.00 177.00 175.10 1ulp n GLU 122 N -2.47 2.71 -3.87 4.56 0.28 -1.08 -4.28 120.64 116.49 1ulp n GLU 122 Ca 0.09 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1ulp n GLU 122 Cb 0.53 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.30 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 -0.99 0.04 0.00 -1.84 0.00 -1.14 0.21 107.32 103.60 1ulp s GLY 123 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ulp s GLY 123 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.47 1ulp n GLN 124 N 1.59 0.00 -5.17 2.90 10.64 -0.75 -2.38 117.38 124.20 1ulp n GLN 124 Ca -0.22 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.63 1ulp n GLN 124 Cb 0.56 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.79 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 -0.67 2.36 -0.17 -0.39 1.01 -1.11 -3.08 121.20 119.15 1ulp s ILE 125 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1ulp s ILE 125 Cb 0.00 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1ulp s ILE 125 CO 0.00 0.58 -0.16 0.00 0.00 0.00 0.00 174.94 175.36 1ulp s ALA 126 N -0.57 2.46 -0.33 9.38 0.00 -1.02 -2.94 121.76 128.74 1ulp s ALA 126 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1ulp s ALA 126 Cb -0.11 -1.24 0.09 0.00 0.00 0.00 0.00 23.12 21.86 1ulp s ALA 126 CO 0.00 -0.14 0.02 -0.06 0.00 0.00 0.00 175.76 175.58 1ulp s PHE 127 N 0.99 3.59 -0.09 0.00 0.40 -0.64 -1.91 117.98 120.31 1ulp s PHE 127 Ca -0.02 -2.69 -0.21 0.00 -0.60 0.00 0.00 56.93 53.41 1ulp s PHE 127 Cb -0.15 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 1ulp s PHE 127 CO -0.03 -0.93 0.59 -0.65 0.70 0.00 0.00 175.22 174.90 1ulp s GLN 128 N 1.00 4.39 -0.11 0.44 -0.21 -0.24 -0.91 119.66 124.02 1ulp s GLN 128 Ca 0.05 0.67 0.23 0.00 0.02 0.00 0.00 55.36 56.33 1ulp s GLN 128 Cb -0.20 -3.44 0.44 0.00 1.00 0.00 0.00 33.01 30.81 1ulp s GLN 128 CO -0.06 0.10 1.15 1.28 -2.12 0.00 0.00 175.29 175.64 1ulp n LEU 129 N 3.75 1.05 -4.65 2.90 4.77 0.38 -3.00 117.00 122.20 1ulp n LEU 129 Ca -0.04 -2.42 -0.42 0.00 -0.03 0.00 0.00 56.01 53.09 1ulp n LEU 129 Cb 0.51 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1ulp n LEU 129 CO 0.45 0.78 0.81 -0.83 -1.33 0.00 0.00 177.39 177.27 1ulp s GLY 130 N -2.61 1.69 -0.82 -0.72 0.00 -1.17 -2.93 107.32 100.76 1ulp s GLY 130 Ca 0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.98 1ulp s GLY 130 CO -0.11 2.04 0.61 0.61 0.00 0.00 0.00 173.10 176.25 1ulp n GLY 131 N 3.66 -1.31 0.91 0.20 0.00 0.18 -4.86 105.19 103.98 1ulp n GLY 131 Ca 0.09 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.54 0.00 -2.20 1.61 3.01 -1.25 -4.99 117.46 111.10 1ulp n PHE 132 Ca -0.29 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.01 1ulp n PHE 132 Cb 0.67 -0.05 0.10 0.00 -0.01 0.00 0.00 39.48 40.19 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ulp n SER 133 N -3.42 0.63 0.00 4.37 2.88 -1.26 -4.99 113.62 111.82 1ulp n SER 133 Ca -0.02 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 1ulp n SER 133 Cb 0.06 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -3.14 0.00 -1.12 -1.46 0.00 -1.26 -3.84 120.51 109.68 1ulp n ALA 134 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1ulp n ALA 134 Cb 0.39 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.00 1.03 0.25 0.00 1.01 -1.26 0.26 116.67 116.96 1ulp s ASP 135 Ca 0.00 0.62 -0.30 0.00 0.71 0.00 0.00 52.55 53.58 1ulp s ASP 135 Cb 0.00 -0.85 -0.09 0.00 1.01 0.00 0.00 42.92 42.99 1ulp s ASP 135 CO 0.00 -4.06 1.08 0.00 0.21 0.00 0.00 175.17 172.41 1ulp s ALA 136 N -3.05 3.39 0.05 5.23 0.00 -1.26 -1.76 121.76 124.36 1ulp s ALA 136 Ca 0.71 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1ulp s ALA 136 Cb -0.09 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ulp s ALA 136 CO 0.56 -0.14 0.04 -2.67 0.00 0.00 0.00 175.76 173.56 1ulp n TRP 137 N 1.55 -0.17 -4.05 0.00 2.14 -0.69 -4.86 117.44 111.37 1ulp n TRP 137 Ca -0.00 -0.40 -0.10 0.00 2.07 0.00 0.00 57.50 59.06 1ulp n TRP 137 Cb 0.45 0.05 -0.06 0.00 -0.81 0.00 0.00 31.31 30.94 1ulp n TRP 137 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1ulp s THR 138 N -2.23 0.00 -0.07 -1.67 2.01 -1.26 -0.95 115.64 111.47 1ulp s THR 138 Ca 0.06 -1.54 -0.03 0.00 0.31 0.00 0.00 61.69 60.49 1ulp s THR 138 Cb 0.00 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1ulp s THR 138 CO 0.04 0.00 0.06 -0.76 -0.69 0.00 0.00 174.62 173.27 1ulp s LEU 139 N -3.08 0.24 -0.38 4.42 1.02 -1.14 -4.04 118.68 115.72 1ulp s LEU 139 Ca 0.27 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.21 1ulp s LEU 139 Cb 0.01 -0.20 0.03 0.00 0.02 0.00 0.00 46.19 46.05 1ulp s LEU 139 CO 0.11 -0.26 0.23 0.00 0.02 0.00 0.00 176.35 176.45 1ulp n LEU 141 N 5.04 0.00 0.00 0.00 4.77 -1.13 -1.81 117.00 123.87 1ulp n LEU 141 Ca -0.12 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1ulp n LEU 141 Cb 0.46 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ulp n LEU 141 CO 0.38 -0.77 0.00 -0.90 -1.33 0.00 0.00 177.39 174.76 1ulp n ASP 142 N -2.60 0.00 0.00 -1.43 5.68 -1.08 -2.69 116.55 114.43 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 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 -4.57 -1.12 9.92 0.92 -4.00 116.55 117.70 1ulp n ASP 143 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ulp s VAL 144 N 0.00 4.82 -0.04 2.53 1.01 -0.91 -1.09 120.40 126.72 1ulp s VAL 144 Ca 0.00 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 1ulp s VAL 144 Cb 0.00 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1ulp s VAL 144 CO 0.00 -0.38 0.40 0.00 0.00 0.00 0.00 175.10 175.12 1ulp s ALA 145 N 2.88 -1.01 -0.12 5.51 0.00 -1.02 -3.38 121.76 124.63 1ulp s ALA 145 Ca 0.27 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 1ulp s ALA 145 Cb -0.14 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.98 1ulp s ALA 145 CO 0.16 -0.27 0.25 -1.17 0.00 0.00 0.00 175.76 174.73 1ulp s LEU 146 N -1.06 -0.03 0.04 0.00 2.96 -1.26 -2.89 118.68 116.43 1ulp s LEU 146 Ca -0.11 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1ulp s LEU 146 Cb -0.04 0.69 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1ulp s LEU 146 CO 0.05 -0.21 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.24 1ulp s ASP 147 N 2.00 0.40 -0.34 3.68 2.15 -1.26 -3.72 116.67 119.58 1ulp s ASP 147 Ca -0.02 -0.84 -0.14 0.00 0.43 0.00 0.00 52.55 51.97 1ulp s ASP 147 Cb -0.11 0.19 -0.02 0.00 -0.30 0.00 0.00 42.92 42.68 1ulp s ASP 147 CO -0.08 -0.54 0.30 -0.94 -0.17 0.00 0.00 175.17 173.73 1ulp s SER 148 N -2.56 6.12 0.71 -0.34 1.04 -1.26 -3.30 113.70 114.11 1ulp s SER 148 Ca 0.01 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 1ulp s SER 148 Cb 0.03 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 64.01 1ulp s SER 148 CO -0.08 -0.28 1.07 -1.61 0.98 0.00 0.00 173.24 173.33 1ulp s GLU 149 N 1.86 2.78 -0.22 4.02 8.01 -1.25 -4.93 118.70 128.97 1ulp s GLU 149 Ca 0.09 0.74 0.01 0.00 0.01 0.00 0.00 54.97 55.83 1ulp s GLU 149 Cb -0.17 -1.99 0.30 0.00 -4.31 0.00 0.00 34.13 27.96 1ulp s GLU 149 CO 0.11 -1.15 1.51 1.33 0.01 0.00 0.00 175.26 177.07 1ulp n VAL 150 N -3.14 2.13 -3.39 2.63 0.24 -1.26 -4.70 118.33 110.85 1ulp n VAL 150 Ca 0.07 -0.99 -0.42 0.00 -2.04 0.00 0.00 64.34 60.96 1ulp n VAL 150 Cb 0.55 -0.84 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1ulp s GLU 151 N -1.56 3.36 0.00 7.34 2.12 -1.26 -5.18 118.70 123.52 1ulp s GLU 151 Ca 0.27 -0.59 0.26 0.00 0.36 0.00 0.00 54.97 55.28 1ulp s GLU 151 Cb 0.22 -3.87 0.72 0.00 0.26 0.00 0.00 34.13 31.47 1ulp s GLU 151 CO 0.04 -0.64 1.56 -0.11 -0.54 0.00 0.00 175.26 175.57