#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 -0.74 0.00 0.00 0.15 -1.26 -5.16 113.70 106.69 1ulp s SER 2 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1ulp s SER 2 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1ulp s SER 2 CO 0.00 -0.04 0.00 -0.81 1.20 0.00 0.00 173.24 173.59 1ulp n PRO 3 N 2.94 1.64 0.00 5.44 -0.04 -1.26 -4.27 135.00 139.45 1ulp n PRO 3 Ca 0.13 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1ulp n PRO 3 Cb 0.61 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 34.60 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 0.00 0.00 0.52 -5.35 -1.25 -4.73 119.36 108.42 1ulp n ILE 4 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1ulp n ILE 4 Cb 0.00 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 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 1.18 1.45 4.21 3.28 0.00 -1.26 -4.59 105.19 109.45 1ulp n GLY 5 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.02 -1.81 -4.18 1.61 2.13 -1.18 -4.93 120.64 112.26 1ulp n GLU 6 Ca 0.00 0.21 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 1ulp n GLU 6 Cb 0.00 -4.06 -0.10 0.00 0.27 0.00 0.00 31.44 27.55 1ulp n GLU 6 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ulp s GLY 7 N -4.24 0.82 0.96 8.31 0.00 -1.26 -4.86 107.32 107.05 1ulp s GLY 7 Ca 0.11 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.36 1ulp s GLY 7 CO 0.96 -1.44 0.45 -1.30 0.00 0.00 0.00 173.10 171.77 1ulp n THR 8 N 0.05 0.00 -1.21 0.90 -2.24 -1.26 -3.78 114.28 106.74 1ulp n THR 8 Ca -0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1ulp n THR 8 Cb 0.60 -0.51 0.23 0.00 -2.10 0.00 0.00 70.33 68.56 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 -4.43 1.19 -2.27 4.78 3.01 -1.26 -4.45 117.46 114.02 1ulp n PHE 9 Ca 0.07 -1.26 -0.33 0.00 1.01 0.00 0.00 57.45 56.95 1ulp n PHE 9 Cb 0.31 -0.44 0.02 0.00 -0.01 0.00 0.00 39.48 39.35 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ulp n ASP 10 N -0.80 6.00 0.00 4.37 2.03 -1.23 -3.84 116.55 123.09 1ulp n ASP 10 Ca 0.29 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1ulp n ASP 10 Cb 1.02 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.48 0.00 -1.19 1.67 8.00 -1.26 -5.04 116.55 118.25 1ulp n ASP 11 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1ulp n ASP 11 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 12 N 0.00 -2.29 1.89 0.44 0.00 -1.26 -4.87 105.19 99.09 1ulp n GLY 12 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 0.09 1.72 0.00 1.61 -0.04 -1.26 -4.91 135.00 132.20 1ulp n PRO 13 Ca 0.00 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1ulp n PRO 13 Cb 0.00 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1ulp n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ulp n GLU 14 N 1.87 0.00 -1.41 0.54 4.07 -1.26 -1.70 120.64 122.75 1ulp n GLU 14 Ca 0.29 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.36 1ulp n GLU 14 Cb 0.73 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.09 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ulp n GLY 15 N 0.00 0.87 3.57 8.31 0.00 -1.26 -5.04 105.19 111.64 1ulp n GLY 15 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.16 1.86 0.22 1.61 0.52 -0.69 -4.23 118.94 118.06 1ulp s TRP 16 Ca 0.10 0.62 -0.12 0.00 0.02 0.00 0.00 56.10 56.71 1ulp s TRP 16 Cb 0.16 -3.99 -0.07 0.00 -1.15 0.00 0.00 33.47 28.42 1ulp s TRP 16 CO -0.06 -1.42 0.59 0.14 0.02 0.00 0.00 176.95 176.22 1ulp s VAL 17 N 10.90 4.85 -0.04 4.03 -7.23 -0.77 -4.92 120.40 127.22 1ulp s VAL 17 Ca 0.70 0.70 0.05 0.00 -1.81 0.00 0.00 61.98 61.62 1ulp s VAL 17 Cb -0.04 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1ulp s VAL 17 CO 0.08 0.03 -0.19 0.00 -0.31 0.00 0.00 175.10 174.70 1ulp s ALA 18 N -1.71 1.68 0.34 1.32 0.00 -1.26 -0.41 121.76 121.72 1ulp s ALA 18 Ca 0.45 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1ulp s ALA 18 Cb -0.13 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 1ulp s ALA 18 CO 0.20 0.32 0.01 1.52 0.00 0.00 0.00 175.76 177.81 1ulp s TYR 19 N -0.05 2.15 -0.74 0.00 1.13 -0.46 -4.61 117.35 114.77 1ulp s TYR 19 Ca -0.03 -0.79 -0.04 0.00 -1.41 0.00 0.00 57.07 54.81 1ulp s TYR 19 Cb -0.12 -1.40 0.00 0.00 -1.10 0.00 0.00 41.96 39.35 1ulp s TYR 19 CO 0.02 0.23 0.64 0.41 -2.51 0.00 0.00 175.55 174.35 1ulp n GLY 20 N -0.75 0.08 0.00 5.49 0.00 -1.26 -2.65 105.19 106.09 1ulp n GLY 20 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.61 0.00 -3.80 2.61 -2.24 -1.26 -4.56 114.28 101.41 1ulp n THR 21 Ca -0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 1ulp n THR 21 Cb 0.55 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.57 4.91 0.25 3.42 2.15 -1.22 -4.96 116.67 122.79 1ulp s ASP 22 Ca 0.00 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1ulp s ASP 22 Cb 0.00 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1ulp s ASP 22 CO 0.00 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1ulp n GLY 23 N 4.86 -1.36 3.79 2.66 0.00 -1.26 -4.72 105.19 109.16 1ulp n GLY 23 Ca -0.16 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.19 3.53 0.99 1.61 0.04 -1.26 -4.92 135.00 132.79 1ulp s PRO 24 Ca 0.00 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1ulp s PRO 24 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1ulp s PRO 24 CO 0.00 -0.67 -0.01 1.47 0.04 0.00 0.00 177.00 177.83 1ulp n LEU 25 N -1.33 -1.95 -4.21 -3.56 -0.00 -1.26 -4.95 117.00 99.74 1ulp n LEU 25 Ca 0.10 0.22 -0.31 0.00 -0.00 0.00 0.00 56.01 56.02 1ulp n LEU 25 Cb 0.52 -1.04 -0.17 0.00 -0.00 0.00 0.00 43.42 42.74 1ulp n LEU 25 CO 0.42 -4.04 -0.55 -0.62 -0.00 0.00 0.00 177.39 172.60 1ulp s ASP 26 N -1.72 2.88 0.00 1.45 2.15 -1.17 -4.99 116.67 115.27 1ulp s ASP 26 Ca 0.52 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.00 1ulp s ASP 26 Cb -0.18 -1.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 1ulp s ASP 26 CO 0.71 0.18 0.00 0.35 -0.17 0.00 0.00 175.17 176.23 1ulp n THR 27 N 3.32 0.00 -0.17 1.71 -2.24 -1.26 -2.51 114.28 113.13 1ulp n THR 27 Ca -0.19 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 61.87 1ulp n THR 27 Cb 0.53 -0.24 0.56 0.00 -2.10 0.00 0.00 70.33 69.08 1ulp n THR 27 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ulp h SER 28 N 0.00 0.00 -0.20 3.42 0.02 -1.90 0.24 113.55 115.13 1ulp h SER 28 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ulp h SER 28 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1ulp h SER 28 CO 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 176.83 175.78 1ulp h THR 29 N 0.00 1.15 0.00 -2.27 1.03 -1.95 -3.46 112.91 107.41 1ulp h THR 29 Ca 0.44 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1ulp h THR 29 Cb 2.46 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 70.62 1ulp h THR 29 CO -0.00 0.15 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1ulp n GLY 30 N -0.75 0.03 2.16 2.99 0.00 0.83 -5.11 105.19 105.34 1ulp n GLY 30 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 31 N 0.00 -0.33 -2.84 4.61 0.00 -1.23 -3.49 120.51 117.23 1ulp n ALA 31 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 53.44 52.01 1ulp n ALA 31 Cb 0.00 0.80 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 1ulp n ALA 31 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ulp s LEU 32 N 0.00 4.52 -0.37 0.00 2.96 -1.09 -4.01 118.68 120.69 1ulp s LEU 32 Ca 0.17 -1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 52.58 1ulp s LEU 32 Cb -0.01 -2.43 0.07 0.00 0.50 0.00 0.00 46.19 44.31 1ulp s LEU 32 CO 0.12 -1.31 0.14 0.00 -1.32 0.00 0.00 176.35 173.99 1ulp s VAL 34 N 1.33 4.81 -0.85 0.00 -7.23 -0.90 -3.03 120.40 114.54 1ulp s VAL 34 Ca 0.01 1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 61.15 1ulp s VAL 34 Cb -0.21 -3.88 0.11 0.00 0.56 0.00 0.00 36.38 32.96 1ulp s VAL 34 CO 0.00 0.53 1.08 0.00 -0.31 0.00 0.00 175.10 176.40 1ulp s ALA 35 N -0.89 3.28 0.21 1.32 0.00 -1.26 -2.88 121.76 121.53 1ulp s ALA 35 Ca 0.29 -2.48 -0.30 0.00 0.00 0.00 0.00 51.96 49.47 1ulp s ALA 35 Cb -0.19 -3.99 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 1ulp s ALA 35 CO 0.18 -2.92 1.27 0.08 0.00 0.00 0.00 175.76 174.36 1ulp s VAL 36 N 3.14 3.29 1.10 0.00 1.01 -0.62 -3.37 120.40 124.95 1ulp s VAL 36 Ca 0.29 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 63.22 1ulp s VAL 36 Cb -0.09 -3.70 0.24 0.00 0.00 0.00 0.00 36.38 32.83 1ulp s VAL 36 CO -0.04 0.18 1.08 -2.16 0.00 0.00 0.00 175.10 174.17 1ulp s PRO 37 N -0.35 -0.35 -0.22 2.72 0.04 -1.26 -2.65 135.00 132.93 1ulp s PRO 37 Ca 0.54 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 1ulp s PRO 37 Cb -0.35 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1ulp s PRO 37 CO 0.39 -3.22 1.57 0.00 0.04 0.00 0.00 177.00 175.77 1ulp s ALA 38 N -2.90 3.31 0.00 8.56 0.00 -1.26 -3.16 121.76 126.32 1ulp s ALA 38 Ca 0.67 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1ulp s ALA 38 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1ulp s ALA 38 CO 0.58 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1ulp n GLY 39 N 4.56 1.42 2.42 0.00 0.00 -0.79 -4.59 105.19 108.22 1ulp n GLY 39 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 1.87 -0.95 -1.31 1.61 7.64 -1.19 -0.91 113.62 120.38 1ulp n SER 40 Ca 0.00 0.38 -0.01 0.00 1.01 0.00 0.00 58.87 60.25 1ulp n SER 40 Cb 0.00 -0.94 0.16 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.36 3.44 -3.04 -0.43 0.00 -1.26 0.27 120.51 117.13 1ulp n ALA 41 Ca 0.01 -1.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.03 1ulp n ALA 41 Cb 0.46 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 1ulp n ALA 41 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ulp s GLN 42 N -1.77 3.65 0.00 0.00 0.00 -1.26 -4.52 119.66 115.76 1ulp s GLN 42 Ca 0.27 -0.52 0.00 0.00 -0.00 0.00 0.00 55.36 55.11 1ulp s GLN 42 Cb 0.21 -3.01 0.00 0.00 0.00 0.00 0.00 33.01 30.21 1ulp s GLN 42 CO 0.07 0.11 0.00 2.48 0.00 0.00 0.00 175.29 177.95 1ulp n TYR 43 N 3.94 -1.74 -0.96 9.60 0.18 -1.26 -4.42 117.16 122.50 1ulp n TYR 43 Ca -0.17 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.72 1ulp n TYR 43 Cb 0.52 -0.97 -0.03 0.00 -0.38 0.00 0.00 39.34 38.47 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 -0.38 -1.33 3.03 -7.48 0.00 -1.26 -5.00 105.19 92.77 1ulp n GLY 44 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.05 0.00 -3.79 1.61 0.31 -1.21 -4.72 118.33 107.47 1ulp n VAL 45 Ca -0.01 -2.13 0.00 0.00 -0.01 0.00 0.00 64.34 62.19 1ulp n VAL 45 Cb 0.60 1.11 0.00 0.00 -0.91 0.00 0.00 33.84 34.64 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 -0.58 -0.79 3.26 2.92 0.00 -1.08 0.12 105.19 109.03 1ulp n GLY 46 Ca 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 -0.02 -0.03 1.61 1.01 0.14 -1.36 120.40 118.75 1ulp s VAL 47 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1ulp s VAL 47 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1ulp s VAL 47 CO 0.00 0.03 -0.25 0.68 0.00 0.00 0.00 175.10 175.56 1ulp s VAL 48 N 1.14 2.14 -0.33 2.92 -7.23 0.46 -1.33 120.40 118.17 1ulp s VAL 48 Ca -0.08 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1ulp s VAL 48 Cb -0.07 -1.75 0.11 0.00 0.56 0.00 0.00 36.38 35.22 1ulp s VAL 48 CO -0.10 0.58 0.13 -0.22 -0.31 0.00 0.00 175.10 175.18 1ulp s LEU 49 N -0.52 1.91 -0.39 1.32 2.96 -1.18 -1.85 118.68 120.93 1ulp s LEU 49 Ca 0.07 -1.77 -0.28 0.00 -0.22 0.00 0.00 54.13 51.93 1ulp s LEU 49 Cb -0.11 -0.76 0.02 0.00 0.50 0.00 0.00 46.19 45.84 1ulp s LEU 49 CO 0.00 -0.39 1.06 0.54 -1.32 0.00 0.00 176.35 176.24 1ulp s ASN 50 N 1.47 6.76 0.00 3.68 2.20 -1.26 -2.53 114.94 125.26 1ulp s ASN 50 Ca 0.11 0.72 0.00 0.00 -0.94 0.00 0.00 52.86 52.75 1ulp s ASN 50 Cb -0.19 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.54 1ulp s ASN 50 CO -0.21 -1.01 0.00 0.61 -2.94 0.00 0.00 177.10 173.55 1ulp n GLY 51 N 4.35 -1.38 2.34 0.45 0.00 -1.22 -4.89 105.19 104.84 1ulp n GLY 51 Ca 0.11 0.43 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1ulp n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ulp n VAL 52 N 0.00 0.00 -3.23 1.61 0.31 -1.23 -3.90 118.33 111.89 1ulp n VAL 52 Ca 0.00 -1.54 -0.23 0.00 -0.01 0.00 0.00 64.34 62.55 1ulp n VAL 52 Cb 0.00 0.31 -0.07 0.00 -0.91 0.00 0.00 33.84 33.17 1ulp n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ulp n ALA 53 N -1.96 2.11 -2.58 3.52 0.00 -1.06 -4.29 120.51 116.25 1ulp n ALA 53 Ca -0.14 -2.99 -0.23 0.00 0.00 0.00 0.00 53.44 50.08 1ulp n ALA 53 Cb 0.41 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 1ulp n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulp s ILE 54 N -0.38 3.11 -0.28 0.00 -1.09 -1.14 -4.84 121.20 116.57 1ulp s ILE 54 Ca 0.34 -1.90 -0.18 0.00 -2.23 0.00 0.00 60.65 56.67 1ulp s ILE 54 Cb 0.10 -2.83 0.09 0.00 -1.58 0.00 0.00 42.46 38.24 1ulp s ILE 54 CO -0.16 -0.29 0.77 -0.70 -1.23 0.00 0.00 174.94 173.33 1ulp s GLU 55 N -3.71 0.66 0.00 2.79 2.12 -0.32 -0.98 118.70 119.25 1ulp s GLU 55 Ca 0.34 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1ulp s GLU 55 Cb -0.04 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1ulp s GLU 55 CO 0.20 -0.12 0.00 -0.85 -0.54 0.00 0.00 175.26 173.95 1ulp n GLU 56 N 3.80 0.00 -2.18 4.30 0.28 0.34 -2.74 120.64 124.45 1ulp n GLU 56 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 1ulp n GLU 56 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 3.57 3.92 -1.84 0.00 -1.21 -1.89 105.19 107.73 1ulp n GLY 57 Ca 0.00 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 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 3.52 3.13 0.39 2.61 2.01 0.19 -4.84 115.64 122.65 1ulp s THR 58 Ca 0.50 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 1ulp s THR 58 Cb 0.09 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1ulp s THR 58 CO -0.01 -0.06 0.67 -0.89 -0.69 0.00 0.00 174.62 173.64 1ulp s THR 59 N -2.36 4.97 0.32 -0.82 2.01 -1.26 0.75 115.64 119.24 1ulp s THR 59 Ca 0.48 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1ulp s THR 59 Cb -0.06 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1ulp s THR 59 CO 0.29 -0.61 0.72 -0.31 -0.69 0.00 0.00 174.62 174.02 1ulp s TYR 60 N -2.43 0.02 -0.21 4.92 2.02 0.04 -4.14 117.35 117.56 1ulp s TYR 60 Ca 0.45 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1ulp s TYR 60 Cb -0.10 0.69 0.11 0.00 -0.40 0.00 0.00 41.96 42.26 1ulp s TYR 60 CO 0.37 -1.35 0.35 0.99 -1.57 0.00 0.00 175.55 174.35 1ulp s THR 61 N -3.26 -0.56 -0.22 -0.71 2.01 -1.24 -1.17 115.64 110.49 1ulp s THR 61 Ca 0.14 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 61 Cb -0.05 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1ulp s THR 61 CO 0.09 -0.05 0.62 -0.22 -0.69 0.00 0.00 174.62 174.37 1ulp s LEU 62 N 2.52 4.11 -0.25 4.42 2.96 -0.76 -3.93 118.68 127.75 1ulp s LEU 62 Ca 0.07 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1ulp s LEU 62 Cb -0.14 -2.85 0.07 0.00 0.50 0.00 0.00 46.19 43.77 1ulp s LEU 62 CO -0.14 -0.31 -0.00 -0.60 -1.32 0.00 0.00 176.35 173.99 1ulp s ARG 63 N 2.15 1.29 0.25 1.98 3.52 -1.12 -2.82 118.95 124.19 1ulp s ARG 63 Ca 0.27 -1.01 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1ulp s ARG 63 Cb -0.16 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1ulp s ARG 63 CO 0.09 -0.71 0.26 1.52 -0.81 0.00 0.00 175.30 175.66 1ulp s TYR 64 N 1.46 1.07 -0.37 5.12 -0.85 -0.75 -2.81 117.35 120.22 1ulp s TYR 64 Ca -0.01 -1.28 0.01 0.00 -0.52 0.00 0.00 57.07 55.27 1ulp s TYR 64 Cb -0.18 -0.37 0.12 0.00 0.38 0.00 0.00 41.96 41.90 1ulp s TYR 64 CO -0.10 -0.80 0.16 0.99 -1.52 0.00 0.00 175.55 174.28 1ulp s THR 65 N -3.90 1.08 -0.07 -3.49 2.01 -1.26 -0.60 115.64 109.41 1ulp s THR 65 Ca 0.35 -1.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.35 1ulp s THR 65 Cb 0.04 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1ulp s THR 65 CO 0.15 -0.79 0.17 0.00 -0.69 0.00 0.00 174.62 173.45 1ulp s ALA 66 N 1.02 3.89 -0.28 7.40 0.00 -0.49 -3.48 121.76 129.82 1ulp s ALA 66 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1ulp s ALA 66 Cb -0.21 -1.97 0.15 0.00 0.00 0.00 0.00 23.12 21.09 1ulp s ALA 66 CO -0.12 0.65 0.37 0.99 0.00 0.00 0.00 175.76 177.65 1ulp s THR 67 N -1.14 -0.55 0.14 0.00 2.01 -0.95 -2.31 115.64 112.83 1ulp s THR 67 Ca 0.20 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1ulp s THR 67 Cb -0.12 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 1ulp s THR 67 CO 0.09 -0.31 0.56 0.00 -0.69 0.00 0.00 174.62 174.28 1ulp s ALA 68 N 2.49 3.57 -0.18 7.40 0.00 -1.18 -2.49 121.76 131.37 1ulp s ALA 68 Ca 0.10 -0.08 0.23 0.00 0.00 0.00 0.00 51.96 52.20 1ulp s ALA 68 Cb -0.13 -2.56 1.22 0.00 0.00 0.00 0.00 23.12 21.64 1ulp s ALA 68 CO -0.28 0.44 1.69 0.77 0.00 0.00 0.00 175.76 178.38 1ulp h SER 69 N 3.71 0.00 -2.46 0.00 0.02 -1.77 -3.21 113.55 109.85 1ulp h SER 69 Ca -0.49 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.89 1ulp h SER 69 Cb 1.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 1ulp h SER 69 CO 0.65 0.00 -0.75 0.28 -1.14 0.00 0.00 176.83 175.87 1ulp s THR 70 N -3.56 2.28 -1.28 -2.27 -1.32 -1.26 -4.50 115.64 103.73 1ulp s THR 70 Ca -0.02 -2.35 -0.19 0.00 -1.21 0.00 0.00 61.69 57.92 1ulp s THR 70 Cb 0.07 -2.25 0.04 0.00 -1.51 0.00 0.00 72.50 68.85 1ulp s THR 70 CO 0.22 -0.44 1.79 -0.67 -2.21 0.00 0.00 174.62 173.30 1ulp n ASP 71 N -0.56 4.54 -4.81 8.08 -0.08 -1.26 -3.92 116.55 118.53 1ulp n ASP 71 Ca -0.06 -2.87 -0.36 0.00 -1.51 0.00 0.00 54.79 49.99 1ulp n ASP 71 Cb 0.60 -1.74 -0.07 0.00 2.34 0.00 0.00 41.12 42.25 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ulp s VAL 72 N 5.55 5.44 -0.56 5.18 0.11 -1.25 -4.80 120.40 130.06 1ulp s VAL 72 Ca 0.57 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.90 1ulp s VAL 72 Cb 0.03 -3.45 0.14 0.00 -1.53 0.00 0.00 36.38 31.57 1ulp s VAL 72 CO 0.09 0.53 0.33 -0.89 -3.33 0.00 0.00 175.10 171.83 1ulp s THR 73 N -0.37 2.49 0.00 5.04 2.01 -1.26 -1.57 115.64 121.97 1ulp s THR 73 Ca 0.12 -3.51 0.00 0.00 0.31 0.00 0.00 61.69 58.62 1ulp s THR 73 Cb -0.12 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1ulp s THR 73 CO 0.02 -0.88 0.00 1.33 -0.69 0.00 0.00 174.62 174.40 1ulp n VAL 74 N 2.81 0.00 -3.80 3.82 0.24 -1.26 -4.91 118.33 115.23 1ulp n VAL 74 Ca 0.10 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.11 1ulp n VAL 74 Cb 0.34 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.55 1ulp n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulp s ARG 75 N 1.98 0.97 0.23 7.34 1.81 -1.16 -4.01 118.95 126.12 1ulp s ARG 75 Ca 0.00 -0.85 0.08 0.00 -1.72 0.00 0.00 55.73 53.24 1ulp s ARG 75 Cb 0.00 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 1ulp s ARG 75 CO 0.00 -0.75 0.05 0.00 -0.68 0.00 0.00 175.30 173.92 1ulp s ALA 76 N 1.61 3.29 0.00 2.13 0.00 -0.88 -2.60 121.76 125.31 1ulp s ALA 76 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1ulp s ALA 76 Cb -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ulp s ALA 76 CO -0.13 0.34 0.00 1.47 0.00 0.00 0.00 175.76 177.43 1ulp n LEU 77 N -0.71 0.00 -4.08 0.00 -0.00 -0.62 -3.11 117.00 108.47 1ulp n LEU 77 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.82 1ulp n LEU 77 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 1ulp n LEU 77 CO 0.41 0.00 0.03 -0.69 -0.00 0.00 0.00 177.39 177.14 1ulp s VAL 78 N -3.20 0.00 -1.16 1.47 1.01 -1.25 -1.83 120.40 115.44 1ulp s VAL 78 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1ulp s VAL 78 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1ulp s VAL 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 79 N -0.38 -1.31 0.00 4.51 0.00 -1.16 -3.10 105.19 103.75 1ulp n GLY 79 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.04 0.77 -2.83 1.61 7.27 -1.12 -1.93 117.38 121.10 1ulp n GLN 80 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1ulp n GLN 80 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 1ulp n GLN 80 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ulp n ASN 81 N -2.89 -2.78 0.00 1.69 4.13 0.53 -4.53 115.26 111.41 1ulp n ASN 81 Ca 0.00 -3.03 0.00 0.00 1.68 0.00 0.00 54.58 53.23 1ulp n ASN 81 Cb 0.00 1.46 0.00 0.00 -1.54 0.00 0.00 39.78 39.70 1ulp n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ulp n GLY 82 N 2.30 0.00 1.57 7.41 0.00 -1.26 -3.12 105.19 112.09 1ulp n GLY 82 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.11 0.95 4.61 0.00 -1.26 -4.73 120.51 117.97 1ulp n ALA 83 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ulp n ALA 83 Cb 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.77 1.08 -2.03 0.00 -0.04 -1.26 -4.96 135.00 125.02 1ulp n PRO 84 Ca -0.01 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ulp n PRO 84 Cb 0.49 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.10 -5.04 -3.30 0.54 4.01 -1.26 -5.04 117.16 107.17 1ulp n TYR 85 Ca 0.01 2.90 -0.04 0.00 -0.16 0.00 0.00 57.90 60.61 1ulp n TYR 85 Cb 0.32 -3.74 -0.05 0.00 -0.31 0.00 0.00 39.34 35.56 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 -1.05 -0.64 0.11 2.72 0.00 -1.26 -4.93 107.32 102.27 1ulp s GLY 86 Ca 0.00 1.34 -0.17 0.00 0.00 0.00 0.00 44.72 45.89 1ulp s GLY 86 CO 0.00 2.93 0.55 -0.51 0.00 0.00 0.00 173.10 176.08 1ulp s THR 87 N 2.68 4.81 -0.00 0.90 -4.23 -1.26 -2.80 115.64 115.73 1ulp s THR 87 Ca 0.15 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1ulp s THR 87 Cb -0.15 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.88 1ulp s THR 87 CO -0.18 0.39 0.00 1.33 -0.54 0.00 0.00 174.62 175.63 1ulp n VAL 88 N 1.25 0.00 -4.62 2.29 0.24 -1.18 -4.83 118.33 111.48 1ulp n VAL 88 Ca -0.08 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 1ulp n VAL 88 Cb 0.51 0.48 -0.11 0.00 -1.47 0.00 0.00 33.84 33.25 1ulp n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulp s LEU 89 N -3.01 3.02 -0.40 1.34 1.02 -1.26 -4.85 118.68 114.54 1ulp s LEU 89 Ca -0.00 -0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.05 1ulp s LEU 89 Cb 0.00 -1.70 0.17 0.00 0.02 0.00 0.00 46.19 44.68 1ulp s LEU 89 CO 0.00 0.32 0.47 1.51 0.02 0.00 0.00 176.35 178.67 1ulp s ASP 90 N -1.10 0.31 0.37 2.29 1.47 -1.26 -3.96 116.67 114.79 1ulp s ASP 90 Ca 0.14 -1.60 -0.12 0.00 1.18 0.00 0.00 52.55 52.15 1ulp s ASP 90 Cb -0.11 0.92 0.04 0.00 -0.34 0.00 0.00 42.92 43.43 1ulp s ASP 90 CO 0.04 -0.20 0.70 0.42 0.68 0.00 0.00 175.17 176.81 1ulp s THR 91 N 1.29 0.00 -0.12 2.11 -4.23 -1.18 -5.09 115.64 108.43 1ulp s THR 91 Ca 0.20 -1.16 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1ulp s THR 91 Cb -0.09 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1ulp s THR 91 CO -0.05 0.00 -0.23 -0.94 -0.54 0.00 0.00 174.62 172.86 1ulp s SER 92 N -3.11 3.13 -1.18 3.99 1.04 -1.26 -2.07 113.70 114.24 1ulp s SER 92 Ca 0.19 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 1ulp s SER 92 Cb -0.04 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1ulp s SER 92 CO 0.14 0.13 1.95 -0.81 0.98 0.00 0.00 173.24 175.62 1ulp n PRO 93 N 3.76 2.29 -1.67 4.02 -0.04 -1.26 -4.91 135.00 137.20 1ulp n PRO 93 Ca -0.19 -2.56 -0.50 0.00 -0.04 0.00 0.00 63.50 60.21 1ulp n PRO 93 Cb 0.52 -3.36 -0.05 0.00 -0.04 0.00 0.00 33.50 30.57 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 9.08 0.45 -2.71 0.55 0.00 -1.26 -4.43 120.51 122.19 1ulp n ALA 94 Ca 0.49 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 54.01 1ulp n ALA 94 Cb 0.43 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.47 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 2.38 2.50 0.00 0.00 1.43 -0.61 -4.99 118.68 119.40 1ulp s LEU 95 Ca 0.88 -1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 1ulp s LEU 95 Cb -0.81 -0.80 0.07 0.00 0.03 0.00 0.00 46.19 44.68 1ulp s LEU 95 CO 0.50 -0.72 0.90 1.07 0.23 0.00 0.00 176.35 178.33 1ulp n THR 96 N -1.17 0.00 0.65 5.49 5.66 -1.25 -3.87 114.28 119.79 1ulp n THR 96 Ca -0.14 -0.48 0.07 0.00 -3.05 0.00 0.00 64.05 60.45 1ulp n THR 96 Cb 0.67 0.67 0.36 0.00 -1.55 0.00 0.00 70.33 70.48 1ulp n THR 96 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ulp n SER 97 N -1.19 0.00 -4.98 1.09 3.41 -1.21 -3.12 113.62 107.62 1ulp n SER 97 Ca -0.02 0.23 -0.19 0.00 -0.26 0.00 0.00 58.87 58.64 1ulp n SER 97 Cb 0.50 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ulp s GLU 98 N -2.74 2.61 0.06 4.33 2.02 -1.26 -4.98 118.70 118.74 1ulp s GLU 98 Ca 0.12 -1.45 -0.31 0.00 0.02 0.00 0.00 54.97 53.35 1ulp s GLU 98 Cb 0.10 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 1ulp s GLU 98 CO 0.25 -0.40 1.27 -1.25 0.02 0.00 0.00 175.26 175.16 1ulp s PRO 99 N -4.36 4.38 -0.49 0.39 0.04 -1.26 -4.66 135.00 129.04 1ulp s PRO 99 Ca 0.53 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.48 1ulp s PRO 99 Cb -0.07 -3.37 0.12 0.00 0.04 0.00 0.00 34.50 31.23 1ulp s PRO 99 CO 0.32 -0.36 0.22 1.03 0.04 0.00 0.00 177.00 178.25 1ulp s ARG 100 N 1.33 1.90 -0.53 4.56 1.81 -0.98 -5.02 118.95 122.02 1ulp s ARG 100 Ca 0.61 -2.48 -0.23 0.00 -1.72 0.00 0.00 55.73 51.91 1ulp s ARG 100 Cb -0.31 -3.31 0.04 0.00 -0.45 0.00 0.00 34.95 30.92 1ulp s ARG 100 CO 0.28 -1.08 0.84 -1.14 -0.68 0.00 0.00 175.30 173.53 1ulp s GLN 101 N -0.05 3.28 -0.04 3.54 0.74 -1.26 -1.39 119.66 124.48 1ulp s GLN 101 Ca 0.16 -0.41 -0.19 0.00 0.05 0.00 0.00 55.36 54.96 1ulp s GLN 101 Cb -0.24 -4.05 -0.05 0.00 1.10 0.00 0.00 33.01 29.76 1ulp s GLN 101 CO -0.02 -1.38 0.55 0.08 -0.55 0.00 0.00 175.29 173.98 1ulp s VAL 102 N 3.53 5.01 -0.22 1.34 1.01 0.23 -4.93 120.40 126.37 1ulp s VAL 102 Ca 0.26 1.14 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 1ulp s VAL 102 Cb -0.14 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.47 1ulp s VAL 102 CO 0.18 0.40 0.35 -0.89 0.00 0.00 0.00 175.10 175.14 1ulp s THR 103 N 0.00 -0.56 0.06 3.92 2.01 -1.25 -1.81 115.64 118.01 1ulp s THR 103 Ca 0.29 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1ulp s THR 103 Cb -0.17 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1ulp s THR 103 CO 0.15 -0.09 0.32 -1.61 -0.69 0.00 0.00 174.62 172.70 1ulp s GLU 104 N 2.52 0.87 -0.13 4.92 2.02 -1.13 -4.99 118.70 122.78 1ulp s GLU 104 Ca 0.09 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 1ulp s GLU 104 Cb -0.15 0.38 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 1ulp s GLU 104 CO -0.14 -0.29 0.01 0.95 0.02 0.00 0.00 175.26 175.81 1ulp s THR 105 N -2.86 4.38 0.08 3.63 -4.23 -1.26 -1.83 115.64 113.55 1ulp s THR 105 Ca -0.03 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1ulp s THR 105 Cb 0.00 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1ulp s THR 105 CO -0.05 0.54 -0.06 0.72 -0.54 0.00 0.00 174.62 175.23 1ulp s PHE 106 N -0.24 0.77 -0.89 3.99 -0.12 -0.31 -4.93 117.98 116.24 1ulp s PHE 106 Ca 0.06 -0.84 -0.19 0.00 -0.05 0.00 0.00 56.93 55.91 1ulp s PHE 106 Cb -0.12 -0.46 0.13 0.00 -0.63 0.00 0.00 43.02 41.93 1ulp s PHE 106 CO 0.02 -0.17 1.08 0.99 -0.05 0.00 0.00 175.22 177.09 1ulp s THR 107 N -3.14 4.73 -0.10 -4.49 2.01 -1.26 -0.78 115.64 112.61 1ulp s THR 107 Ca 0.06 -1.47 -0.32 0.00 0.31 0.00 0.00 61.69 60.27 1ulp s THR 107 Cb 0.02 -4.75 -0.09 0.00 0.01 0.00 0.00 72.50 67.69 1ulp s THR 107 CO -0.04 -1.47 2.01 0.00 -0.69 0.00 0.00 174.62 174.43 1ulp n ALA 108 N 6.55 1.32 -2.28 7.40 0.00 0.23 -4.69 120.51 129.04 1ulp n ALA 108 Ca 0.20 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 1ulp n ALA 108 Cb 0.48 -2.66 0.03 0.00 0.00 0.00 0.00 19.45 17.31 1ulp n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ulp n SER 109 N 8.29 7.43 -0.24 0.00 3.41 -1.25 -0.64 113.62 130.62 1ulp n SER 109 Ca 0.25 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 1ulp n SER 109 Cb 0.36 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.30 0.00 -3.60 7.33 0.00 -0.79 -4.76 120.51 118.38 1ulp n ALA 110 Ca 0.50 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1ulp n ALA 110 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.68 -0.25 -0.79 0.00 2.01 -1.26 0.13 115.64 112.79 1ulp s THR 111 Ca 0.00 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1ulp s THR 111 Cb 0.00 -0.46 0.19 0.00 0.01 0.00 0.00 72.50 72.24 1ulp s THR 111 CO 0.00 -0.03 0.63 -0.31 -0.69 0.00 0.00 174.62 174.22 1ulp s TYR 112 N 2.28 3.73 0.00 4.92 2.02 -0.15 -4.26 117.35 125.89 1ulp s TYR 112 Ca 0.04 -3.15 0.00 0.00 -0.37 0.00 0.00 57.07 53.59 1ulp s TYR 112 Cb -0.14 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1ulp s TYR 112 CO -0.08 -0.66 0.00 -0.35 -1.57 0.00 0.00 175.55 172.89 1ulp n PRO 113 N 2.24 0.60 -0.97 -1.71 -0.04 -1.26 -2.55 135.00 131.31 1ulp n PRO 113 Ca 0.20 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 1ulp n PRO 113 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 2.27 -3.59 0.55 0.00 -1.26 -3.51 120.51 111.97 1ulp n ALA 114 Ca 0.00 -1.50 -0.38 0.00 0.00 0.00 0.00 53.44 51.56 1ulp n ALA 114 Cb 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1ulp n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 115 N 0.00 4.52 -1.20 0.00 2.01 -1.26 -4.99 115.64 114.72 1ulp s THR 115 Ca 0.15 -3.53 -0.21 0.00 0.31 0.00 0.00 61.69 58.41 1ulp s THR 115 Cb 0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1ulp s THR 115 CO -0.07 -1.05 1.89 -0.81 -0.69 0.00 0.00 174.62 173.88 1ulp n PRO 116 N 2.73 2.11 -0.85 4.92 -0.04 -1.24 -4.33 135.00 138.31 1ulp n PRO 116 Ca 0.18 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1ulp n PRO 116 Cb 0.38 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 117 N 11.80 0.00 0.16 0.55 0.00 -0.56 -4.97 120.51 127.50 1ulp n ALA 117 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1ulp n ALA 117 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 0.24 -0.38 -0.88 0.00 0.00 -2.02 -3.25 119.26 112.97 1ulp h ALA 118 Ca 0.00 -0.13 -0.59 0.00 0.00 0.00 0.00 54.91 54.19 1ulp h ALA 118 Cb 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 17.79 17.55 1ulp h ALA 118 CO 0.00 -0.65 -0.34 -3.47 0.00 0.00 0.00 179.25 174.80 1ulp n ASP 119 N -5.20 5.68 -3.27 0.00 -0.08 -1.26 -4.85 116.55 107.57 1ulp n ASP 119 Ca -0.10 -3.76 -0.16 0.00 -1.51 0.00 0.00 54.79 49.26 1ulp n ASP 119 Cb 0.21 -0.53 -0.06 0.00 2.34 0.00 0.00 41.12 43.08 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ulp s ASP 120 N -3.08 0.67 0.00 1.67 1.01 -1.23 -5.14 116.67 110.57 1ulp s ASP 120 Ca 0.54 -1.85 0.00 0.00 0.71 0.00 0.00 52.55 51.95 1ulp s ASP 120 Cb 0.43 0.65 0.00 0.00 1.01 0.00 0.00 42.92 45.02 1ulp s ASP 120 CO -0.01 -0.20 0.00 -0.81 0.21 0.00 0.00 175.17 174.36 1ulp n PRO 121 N 3.78 1.17 -1.03 8.23 -0.04 -1.26 -1.49 135.00 144.36 1ulp n PRO 121 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ulp n PRO 121 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 0.00 -4.39 0.54 0.00 -1.18 -4.46 120.64 111.15 1ulp n GLU 122 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 1ulp n GLU 122 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 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 -1.07 1.61 0.00 -1.84 0.00 -1.23 0.20 107.32 104.99 1ulp s GLY 123 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1ulp s GLY 123 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1ulp n GLN 124 N -0.35 0.00 -4.62 2.90 10.64 -0.82 -3.43 117.38 121.70 1ulp n GLN 124 Ca -0.08 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.79 1ulp n GLN 124 Cb 0.60 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.84 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -1.85 2.37 -0.19 -0.39 1.01 -1.05 -2.98 121.20 118.12 1ulp s ILE 125 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.16 1ulp s ILE 125 Cb 0.00 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1ulp s ILE 125 CO 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 174.94 174.99 1ulp s ALA 126 N -0.95 2.32 -0.67 9.38 0.00 -0.76 -3.09 121.76 127.99 1ulp s ALA 126 Ca 0.14 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1ulp s ALA 126 Cb -0.10 -1.22 0.22 0.00 0.00 0.00 0.00 23.12 22.03 1ulp s ALA 126 CO 0.05 -0.45 0.68 1.19 0.00 0.00 0.00 175.76 177.23 1ulp n PHE 127 N 4.61 3.53 -2.90 0.00 3.01 -0.44 -1.59 117.46 123.67 1ulp n PHE 127 Ca -0.20 -4.19 -0.43 0.00 1.01 0.00 0.00 57.45 53.64 1ulp n PHE 127 Cb 0.49 -0.60 -0.05 0.00 -0.01 0.00 0.00 39.48 39.31 1ulp n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ulp s GLN 128 N -2.16 3.30 0.00 -1.08 -0.21 -1.07 0.28 119.66 118.72 1ulp s GLN 128 Ca 0.35 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1ulp s GLN 128 Cb 0.08 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 30.04 1ulp s GLN 128 CO -0.06 -1.41 0.00 1.28 -2.12 0.00 0.00 175.29 172.98 1ulp n LEU 129 N 7.17 0.00 -2.13 2.90 4.77 0.32 -2.98 117.00 127.06 1ulp n LEU 129 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ulp n LEU 129 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ulp n LEU 129 CO 0.62 0.00 -0.27 0.61 -1.33 0.00 0.00 177.39 177.02 1ulp n GLY 130 N 5.00 -3.14 2.07 -0.72 0.00 -1.24 -3.35 105.19 103.81 1ulp n GLY 130 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 1.90 -0.38 2.02 -0.02 0.00 0.78 -4.23 105.19 105.25 1ulp n GLY 131 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.54 -1.52 -0.55 1.61 3.72 -1.26 -4.92 117.46 113.01 1ulp n PHE 132 Ca -0.01 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1ulp n PHE 132 Cb 0.51 0.81 0.00 0.00 -0.94 0.00 0.00 39.48 39.87 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 -2.70 0.00 0.00 4.37 2.88 -1.26 -4.56 113.62 112.34 1ulp n SER 133 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ulp n SER 133 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.00 0.68 -1.93 -1.46 0.00 -1.26 -4.80 120.51 108.73 1ulp n ALA 134 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1ulp n ALA 134 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 0.21 4.34 0.03 0.00 1.01 -1.26 -1.88 116.67 119.11 1ulp s ASP 135 Ca 0.00 0.37 -0.39 0.00 0.71 0.00 0.00 52.55 53.25 1ulp s ASP 135 Cb 0.00 -0.83 -0.19 0.00 1.01 0.00 0.00 42.92 42.91 1ulp s ASP 135 CO 0.00 -1.93 1.13 0.00 0.21 0.00 0.00 175.17 174.58 1ulp n ALA 136 N -3.16 -2.87 -3.00 5.23 0.00 -1.26 -4.25 120.51 111.20 1ulp n ALA 136 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1ulp n ALA 136 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.74 -0.08 -3.84 0.00 2.14 -1.08 -4.88 117.44 111.43 1ulp n TRP 137 Ca 0.19 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.69 1ulp n TRP 137 Cb 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.61 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N -1.74 0.00 -0.06 -1.67 -1.32 -1.26 -1.59 115.64 108.00 1ulp s THR 138 Ca 0.00 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1ulp s THR 138 Cb 0.00 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1ulp s THR 138 CO 0.00 0.00 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.61 1ulp s LEU 139 N -2.97 1.13 -0.48 9.08 1.02 -1.14 -3.31 118.68 122.01 1ulp s LEU 139 Ca 0.12 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 1ulp s LEU 139 Cb -0.06 -0.47 0.13 0.00 0.02 0.00 0.00 46.19 45.81 1ulp s LEU 139 CO 0.08 -0.09 0.27 0.00 0.02 0.00 0.00 176.35 176.63 1ulp n LEU 141 N 4.08 0.00 0.00 0.00 4.77 -0.44 -2.24 117.00 123.17 1ulp n LEU 141 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ulp n LEU 141 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ulp n LEU 141 CO 0.32 -0.33 0.00 -0.90 -1.33 0.00 0.00 177.39 175.15 1ulp n ASP 142 N -1.99 0.00 -3.98 -1.43 5.75 -1.23 -2.67 116.55 111.00 1ulp n ASP 142 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 1ulp n ASP 142 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 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 -3.64 -3.71 -1.12 -0.08 -1.26 -4.62 116.55 102.12 1ulp n ASP 143 Ca 0.00 0.58 -0.11 0.00 -1.51 0.00 0.00 54.79 53.75 1ulp n ASP 143 Cb 0.00 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 42.56 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 -1.88 -0.02 0.05 5.18 1.01 -1.25 -4.27 120.40 119.22 1ulp s VAL 144 Ca 0.52 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1ulp s VAL 144 Cb -0.44 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1ulp s VAL 144 CO 0.64 0.03 -0.17 0.00 0.00 0.00 0.00 175.10 175.60 1ulp s ALA 145 N 1.08 1.42 -0.38 5.51 0.00 -1.12 -3.09 121.76 125.16 1ulp s ALA 145 Ca -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 50.98 1ulp s ALA 145 Cb -0.07 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 22.98 1ulp s ALA 145 CO -0.09 0.28 0.50 -1.17 0.00 0.00 0.00 175.76 175.28 1ulp s LEU 146 N -1.29 -0.78 0.00 0.00 2.96 -1.25 -2.77 118.68 115.54 1ulp s LEU 146 Ca 0.04 -1.15 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 1ulp s LEU 146 Cb -0.09 1.24 0.00 0.00 0.50 0.00 0.00 46.19 47.85 1ulp s LEU 146 CO 0.02 -0.22 0.00 -0.67 -1.32 0.00 0.00 176.35 174.16 1ulp n ASP 147 N 4.38 0.71 -3.61 3.68 2.03 -1.26 -4.84 116.55 117.64 1ulp n ASP 147 Ca 0.11 -0.70 -0.27 0.00 0.52 0.00 0.00 54.79 54.44 1ulp n ASP 147 Cb 0.51 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.75 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ulp s SER 148 N -0.79 2.94 0.20 1.67 1.04 -1.26 -3.67 113.70 113.83 1ulp s SER 148 Ca 0.00 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 55.58 1ulp s SER 148 Cb 0.00 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 1ulp s SER 148 CO 0.00 -0.38 -0.09 -1.61 0.98 0.00 0.00 173.24 172.14 1ulp s GLU 149 N 2.06 2.07 -0.69 4.02 2.02 -1.26 -4.94 118.70 121.97 1ulp s GLU 149 Ca 0.05 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1ulp s GLU 149 Cb -0.16 -2.13 0.39 0.00 0.10 0.00 0.00 34.13 32.32 1ulp s GLU 149 CO -0.20 0.41 1.74 1.55 0.02 0.00 0.00 175.26 178.79 1ulp n VAL 150 N -0.16 3.22 -0.53 2.63 3.14 -1.26 -4.55 118.33 120.82 1ulp n VAL 150 Ca -0.10 -4.32 -0.29 0.00 -2.96 0.00 0.00 64.34 56.68 1ulp n VAL 150 Cb 0.56 -1.23 0.24 0.00 -1.06 0.00 0.00 33.84 32.35 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1ulp s GLU 151 N -3.88 -0.68 0.00 1.45 2.12 -1.26 -5.19 118.70 111.26 1ulp s GLU 151 Ca 0.52 1.00 0.30 0.00 0.36 0.00 0.00 54.97 57.15 1ulp s GLU 151 Cb 0.44 -1.57 1.76 0.00 0.26 0.00 0.00 34.13 35.02 1ulp s GLU 151 CO -0.29 -3.61 2.10 1.28 -0.54 0.00 0.00 175.26 174.20