#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 -0.17 0.00 0.00 0.01 -1.26 -5.16 113.70 107.12 1ulp s SER 2 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1ulp s SER 2 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1ulp s SER 2 CO 0.00 -0.09 0.00 -0.81 0.41 0.00 0.00 173.24 172.75 1ulp n PRO 3 N 2.85 1.66 -0.76 12.44 -0.04 -1.26 -4.87 135.00 145.03 1ulp n PRO 3 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1ulp n PRO 3 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.11 1ulp n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulp n ILE 4 N -0.12 2.44 0.00 0.52 -5.35 -1.26 -4.79 119.36 110.81 1ulp n ILE 4 Ca 0.00 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 1ulp n ILE 4 Cb 0.00 -1.03 0.00 0.00 -1.74 0.00 0.00 39.64 36.87 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 -0.01 2.44 4.38 3.28 0.00 -1.26 -4.30 105.19 109.72 1ulp n GLY 5 Ca 0.30 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1ulp n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulp n GLU 6 N 0.00 -1.75 -4.49 1.61 2.13 -1.22 -4.91 120.64 112.01 1ulp n GLU 6 Ca 0.00 0.23 -0.23 0.00 0.66 0.00 0.00 57.16 57.82 1ulp n GLU 6 Cb 0.00 -4.74 -0.11 0.00 0.27 0.00 0.00 31.44 26.86 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 -3.42 2.17 -0.13 8.31 0.00 -1.26 -4.83 107.32 108.15 1ulp s GLY 7 Ca 0.69 -2.12 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 1ulp s GLY 7 CO 0.98 -1.88 2.34 -1.30 0.00 0.00 0.00 173.10 173.24 1ulp n THR 8 N -0.75 2.51 -3.00 0.90 -2.24 -1.22 -3.55 114.28 106.93 1ulp n THR 8 Ca -0.03 -1.22 -0.12 0.00 -2.27 0.00 0.00 64.05 60.42 1ulp n THR 8 Cb 0.67 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.34 1ulp n THR 8 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulp n PHE 9 N 1.27 -1.77 -1.23 4.78 3.72 0.39 -4.37 117.46 120.26 1ulp n PHE 9 Ca 0.20 0.18 -0.22 0.00 -0.05 0.00 0.00 57.45 57.56 1ulp n PHE 9 Cb 0.60 -1.42 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 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 -1.78 6.37 0.00 4.37 5.75 -1.26 -3.93 116.55 126.07 1ulp n ASP 10 Ca 0.02 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.70 1ulp n ASP 10 Cb 0.50 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 11 N 0.82 0.00 0.00 -1.12 -0.08 -1.26 -4.94 116.55 109.97 1ulp n ASP 11 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1ulp n ASP 11 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ulp n GLY 12 N 0.00 0.79 3.06 0.27 0.00 -1.26 -5.01 105.19 103.04 1ulp n GLY 12 Ca 0.00 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 2.45 0.00 1.61 -0.04 -1.26 -4.73 135.00 133.03 1ulp n PRO 13 Ca 0.00 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1ulp n PRO 13 Cb 0.00 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 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 6.96 0.00 -2.69 0.54 4.07 -1.26 -1.57 120.64 126.68 1ulp n GLU 14 Ca 0.50 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.57 1ulp n GLU 14 Cb 0.41 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 31.91 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 1.81 3.70 8.31 0.00 -1.26 -5.09 105.19 112.66 1ulp n GLY 15 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.28 2.89 0.18 1.61 0.52 -0.61 -4.53 118.94 118.72 1ulp s TRP 16 Ca 0.15 0.64 0.10 0.00 0.02 0.00 0.00 56.10 57.01 1ulp s TRP 16 Cb 0.43 -3.84 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 1ulp s TRP 16 CO -0.11 -3.17 -0.21 0.14 0.02 0.00 0.00 176.95 173.62 1ulp s VAL 17 N 1.75 2.11 0.06 4.03 -7.23 -0.54 -4.96 120.40 115.63 1ulp s VAL 17 Ca 0.69 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1ulp s VAL 17 Cb -0.39 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1ulp s VAL 17 CO 0.31 -0.21 -0.06 0.00 -0.31 0.00 0.00 175.10 174.83 1ulp s ALA 18 N -1.85 0.63 -0.00 1.32 0.00 -1.26 -0.37 121.76 120.24 1ulp s ALA 18 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ulp s ALA 18 Cb -0.07 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ulp s ALA 18 CO 0.08 -0.16 -0.00 1.52 0.00 0.00 0.00 175.76 177.20 1ulp s TYR 19 N -2.52 0.07 0.00 0.00 1.13 -0.46 -4.86 117.35 110.70 1ulp s TYR 19 Ca -0.01 0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 1ulp s TYR 19 Cb -0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1ulp s TYR 19 CO -0.03 -0.01 0.00 0.41 -2.51 0.00 0.00 175.55 173.41 1ulp n GLY 20 N 3.21 1.20 2.20 5.49 0.00 -1.26 -2.88 105.19 113.14 1ulp n GLY 20 Ca -0.14 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1ulp n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 21 N 0.00 0.00 -3.53 2.61 -2.24 -1.26 -4.10 114.28 105.75 1ulp n THR 21 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1ulp n THR 21 Cb 0.00 -1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 1ulp n THR 21 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ulp s ASP 22 N -1.97 5.93 0.00 3.42 1.47 -1.24 -4.73 116.67 119.55 1ulp s ASP 22 Ca 0.00 -0.83 0.00 0.00 1.18 0.00 0.00 52.55 52.90 1ulp s ASP 22 Cb 0.00 -2.10 0.00 0.00 -0.34 0.00 0.00 42.92 40.48 1ulp s ASP 22 CO 0.00 -0.37 0.00 0.61 0.68 0.00 0.00 175.17 176.09 1ulp n GLY 23 N 5.08 -3.18 3.55 2.12 0.00 -1.26 -4.71 105.19 106.80 1ulp n GLY 23 Ca -0.12 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1ulp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 24 N 0.00 2.94 0.52 1.61 0.04 -1.26 -4.87 135.00 133.98 1ulp s PRO 24 Ca 0.00 -0.16 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1ulp s PRO 24 Cb 0.00 -4.69 -0.15 0.00 0.04 0.00 0.00 34.50 29.71 1ulp s PRO 24 CO 0.00 -2.64 -0.10 1.47 0.04 0.00 0.00 177.00 175.77 1ulp n LEU 25 N 11.42 -3.43 -3.87 -3.56 -0.00 -1.26 -4.98 117.00 111.33 1ulp n LEU 25 Ca 0.23 0.65 -0.09 0.00 -0.00 0.00 0.00 56.01 56.80 1ulp n LEU 25 Cb 0.50 -0.87 -0.07 0.00 -0.00 0.00 0.00 43.42 42.97 1ulp n LEU 25 CO 0.67 -4.71 -0.11 1.51 -0.00 0.00 0.00 177.39 174.76 1ulp s ASP 26 N -1.01 0.14 0.05 1.45 1.47 -1.18 -4.96 116.67 112.62 1ulp s ASP 26 Ca 0.57 -0.66 -0.00 0.00 1.18 0.00 0.00 52.55 53.64 1ulp s ASP 26 Cb -0.48 0.33 -0.00 0.00 -0.34 0.00 0.00 42.92 42.42 1ulp s ASP 26 CO 0.66 -0.71 -0.01 0.35 0.68 0.00 0.00 175.17 176.14 1ulp n THR 27 N -0.02 0.74 0.00 2.11 -2.24 -1.25 -1.56 114.28 112.06 1ulp n THR 27 Ca -0.15 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1ulp n THR 27 Cb 0.62 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1ulp n THR 27 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ulp n SER 28 N -3.31 0.00 0.24 3.42 7.64 -1.26 -1.66 113.62 118.69 1ulp n SER 28 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1ulp n SER 28 Cb 0.22 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 64.11 1ulp n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp h THR 29 N 0.00 0.00 0.00 0.44 1.03 -1.94 -3.43 112.91 109.01 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 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 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 -1.23 1.74 2.62 2.99 0.00 -0.66 -4.88 105.19 105.77 1ulp n GLY 30 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 0.35 -0.75 4.61 0.00 -1.18 -4.48 121.76 118.32 1ulp s ALA 31 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 1ulp s ALA 31 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1ulp s ALA 31 CO 0.00 -1.18 2.05 -1.17 0.00 0.00 0.00 175.76 175.46 1ulp s LEU 32 N 2.16 3.19 -0.17 0.00 2.96 -0.22 -3.92 118.68 122.68 1ulp s LEU 32 Ca 0.03 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.80 1ulp s LEU 32 Cb -0.16 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1ulp s LEU 32 CO -0.09 -2.83 0.16 0.00 -1.32 0.00 0.00 176.35 172.27 1ulp s VAL 34 N -0.06 1.96 -0.20 0.00 -7.23 -0.51 -3.09 120.40 111.28 1ulp s VAL 34 Ca 0.11 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1ulp s VAL 34 Cb -0.12 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1ulp s VAL 34 CO 0.01 -0.12 0.08 0.00 -0.31 0.00 0.00 175.10 174.76 1ulp s ALA 35 N -2.77 3.43 -0.18 1.32 0.00 -1.26 -3.04 121.76 119.26 1ulp s ALA 35 Ca 0.33 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 1ulp s ALA 35 Cb 0.06 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1ulp s ALA 35 CO 0.16 0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.92 1ulp s VAL 36 N 0.56 2.47 1.23 0.00 1.01 -0.46 -3.67 120.40 121.54 1ulp s VAL 36 Ca 0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1ulp s VAL 36 Cb -0.13 -2.06 0.30 0.00 0.00 0.00 0.00 36.38 34.50 1ulp s VAL 36 CO 0.01 0.51 1.02 -2.16 0.00 0.00 0.00 175.10 174.48 1ulp s PRO 37 N 1.20 -1.45 -0.08 2.72 0.04 -1.26 -1.83 135.00 134.35 1ulp s PRO 37 Ca 0.02 0.39 -0.35 0.00 0.04 0.00 0.00 61.00 61.09 1ulp s PRO 37 Cb -0.14 -1.53 -0.13 0.00 0.04 0.00 0.00 34.50 32.74 1ulp s PRO 37 CO -0.07 -3.96 1.77 0.00 0.04 0.00 0.00 177.00 174.78 1ulp n ALA 38 N -5.02 0.63 -1.89 8.56 0.00 -1.26 -1.77 120.51 119.75 1ulp n ALA 38 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1ulp n ALA 38 Cb 0.58 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 4.10 -0.32 3.58 0.00 0.00 0.72 -1.58 105.19 111.70 1ulp n GLY 39 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.71 -0.03 -4.62 1.61 2.88 -0.73 -3.54 113.62 108.48 1ulp n SER 40 Ca 0.00 -0.81 -0.41 0.00 -1.33 0.00 0.00 58.87 56.32 1ulp n SER 40 Cb 0.32 -1.02 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp s ALA 41 N -3.36 3.58 0.00 -1.46 0.00 -0.61 -1.34 121.76 118.57 1ulp s ALA 41 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ulp s ALA 41 Cb -0.11 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1ulp s ALA 41 CO 0.65 -0.92 0.00 0.00 0.00 0.00 0.00 175.76 175.49 1ulp n GLN 42 N 5.81 0.00 0.00 0.00 10.64 -1.26 -4.90 117.38 127.67 1ulp n GLN 42 Ca -0.00 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1ulp n GLN 42 Cb 0.49 -2.84 0.00 0.00 -0.86 0.00 0.00 30.24 27.03 1ulp n GLN 42 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1ulp n TYR 43 N -3.30 0.00 -3.22 2.61 4.19 -1.24 -5.06 117.16 111.12 1ulp n TYR 43 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 1ulp n TYR 43 Cb 0.34 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.18 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ulp n GLY 44 N 0.30 -0.99 3.90 2.98 0.00 -1.23 -4.88 105.19 105.26 1ulp n GLY 44 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.55 4.67 0.00 1.61 1.01 -0.96 -4.72 120.40 119.46 1ulp s VAL 45 Ca 0.16 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1ulp s VAL 45 Cb -0.03 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ulp s VAL 45 CO 0.81 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1ulp n GLY 46 N -2.41 0.83 3.07 4.51 0.00 -1.14 0.14 105.19 110.19 1ulp n GLY 46 Ca 0.02 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -2.00 1.57 -0.02 1.61 1.01 -0.28 -1.36 120.40 120.92 1ulp s VAL 47 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1ulp s VAL 47 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1ulp s VAL 47 CO 0.00 0.45 -0.25 0.68 0.00 0.00 0.00 175.10 175.98 1ulp s VAL 48 N 0.95 2.10 -0.32 2.92 -7.23 0.50 -1.75 120.40 117.57 1ulp s VAL 48 Ca -0.07 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1ulp s VAL 48 Cb -0.15 -1.72 0.10 0.00 0.56 0.00 0.00 36.38 35.17 1ulp s VAL 48 CO -0.01 0.58 0.11 -0.22 -0.31 0.00 0.00 175.10 175.25 1ulp s LEU 49 N -0.61 2.22 -0.11 1.32 2.96 -1.16 -1.46 118.68 121.85 1ulp s LEU 49 Ca 0.10 -1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.01 1ulp s LEU 49 Cb -0.10 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 1ulp s LEU 49 CO -0.01 -0.41 1.33 0.54 -1.32 0.00 0.00 176.35 176.49 1ulp s ASN 50 N 1.54 6.91 0.00 3.68 2.20 -1.26 -2.80 114.94 125.21 1ulp s ASN 50 Ca 0.10 1.85 0.00 0.00 -0.94 0.00 0.00 52.86 53.88 1ulp s ASN 50 Cb -0.18 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.53 1ulp s ASN 50 CO -0.24 -0.75 0.00 0.61 -2.94 0.00 0.00 177.10 173.78 1ulp n GLY 51 N 3.66 -1.02 3.56 0.45 0.00 -1.17 -4.90 105.19 105.77 1ulp n GLY 51 Ca 0.14 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 1.75 -0.36 1.61 1.01 -0.59 -4.11 120.40 119.71 1ulp s VAL 52 Ca 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.98 1ulp s VAL 52 Cb 0.00 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.62 1ulp s VAL 52 CO 0.00 -0.02 0.26 0.00 0.00 0.00 0.00 175.10 175.34 1ulp s ALA 53 N -2.89 0.74 0.29 5.51 0.00 -1.03 -3.96 121.76 120.42 1ulp s ALA 53 Ca 0.35 -1.79 0.09 0.00 0.00 0.00 0.00 51.96 50.62 1ulp s ALA 53 Cb 0.09 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 1ulp s ALA 53 CO 0.17 -2.10 -0.12 0.42 0.00 0.00 0.00 175.76 174.13 1ulp s ILE 54 N 0.99 2.10 -0.16 0.00 -1.09 -1.08 -4.83 121.20 117.13 1ulp s ILE 54 Ca 0.20 -2.24 -0.08 0.00 -2.23 0.00 0.00 60.65 56.30 1ulp s ILE 54 Cb -0.18 -2.44 0.06 0.00 -1.58 0.00 0.00 42.46 38.33 1ulp s ILE 54 CO -0.02 -0.33 0.37 -0.70 -1.23 0.00 0.00 174.94 173.03 1ulp s GLU 55 N -3.62 0.32 0.00 2.79 2.12 -1.19 -0.92 118.70 118.21 1ulp s GLU 55 Ca 0.30 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.41 1ulp s GLU 55 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1ulp s GLU 55 CO 0.14 -0.19 0.00 -0.85 -0.54 0.00 0.00 175.26 173.82 1ulp n GLU 56 N 4.59 0.00 -2.53 4.30 0.28 0.42 -3.00 120.64 124.70 1ulp n GLU 56 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.40 1ulp n GLU 56 Cb 0.53 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.39 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 1.40 0.42 -1.84 0.00 -1.21 -2.31 107.32 103.79 1ulp s GLY 57 Ca 0.00 -2.66 0.07 0.00 0.00 0.00 0.00 44.72 42.13 1ulp s GLY 57 CO 0.00 2.80 0.29 -1.59 0.00 0.00 0.00 173.10 174.60 1ulp s THR 58 N 5.04 2.45 0.33 0.90 2.01 -0.35 -4.86 115.64 121.16 1ulp s THR 58 Ca 0.53 -1.51 -0.07 0.00 0.31 0.00 0.00 61.69 60.95 1ulp s THR 58 Cb 0.02 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.52 1ulp s THR 58 CO 0.04 0.00 0.64 -0.89 -0.69 0.00 0.00 174.62 173.71 1ulp s THR 59 N -2.55 4.93 0.32 -0.82 2.01 -1.26 0.61 115.64 118.88 1ulp s THR 59 Ca 0.44 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.54 1ulp s THR 59 Cb 0.00 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1ulp s THR 59 CO 0.25 -0.39 0.74 -0.31 -0.69 0.00 0.00 174.62 174.22 1ulp s TYR 60 N -2.19 -0.07 -0.20 4.92 2.02 0.30 -3.81 117.35 118.32 1ulp s TYR 60 Ca 0.47 -0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1ulp s TYR 60 Cb -0.11 0.74 0.10 0.00 -0.40 0.00 0.00 41.96 42.29 1ulp s TYR 60 CO 0.30 -1.35 0.35 0.99 -1.57 0.00 0.00 175.55 174.28 1ulp s THR 61 N -3.37 -0.56 -0.21 -0.71 2.01 -1.21 -1.67 115.64 109.93 1ulp s THR 61 Ca 0.13 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 1ulp s THR 61 Cb -0.06 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1ulp s THR 61 CO 0.09 -0.00 0.61 -0.22 -0.69 0.00 0.00 174.62 174.40 1ulp s LEU 62 N 2.53 4.12 -0.24 4.42 2.96 -1.08 -4.09 118.68 127.30 1ulp s LEU 62 Ca 0.04 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1ulp s LEU 62 Cb -0.13 -2.85 0.07 0.00 0.50 0.00 0.00 46.19 43.78 1ulp s LEU 62 CO -0.13 -0.28 0.04 -0.13 -1.32 0.00 0.00 176.35 174.53 1ulp s ARG 63 N 2.03 0.87 0.06 1.98 0.52 -1.16 -2.84 118.95 120.42 1ulp s ARG 63 Ca 0.27 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1ulp s ARG 63 Cb -0.16 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 1ulp s ARG 63 CO 0.10 -0.76 0.07 1.52 0.02 0.00 0.00 175.30 176.25 1ulp s TYR 64 N 1.68 0.35 -0.32 -0.53 -0.85 -1.00 -2.87 117.35 113.81 1ulp s TYR 64 Ca 0.02 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 55.77 1ulp s TYR 64 Cb -0.17 -0.24 0.09 0.00 0.38 0.00 0.00 41.96 42.02 1ulp s TYR 64 CO -0.14 -0.44 0.01 0.99 -1.52 0.00 0.00 175.55 174.45 1ulp s THR 65 N -3.80 2.26 0.07 -3.49 2.01 -1.23 -0.97 115.64 110.48 1ulp s THR 65 Ca 0.05 -2.18 0.02 0.00 0.31 0.00 0.00 61.69 59.89 1ulp s THR 65 Cb 0.06 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1ulp s THR 65 CO -0.10 -0.47 0.09 0.00 -0.69 0.00 0.00 174.62 173.45 1ulp s ALA 66 N 0.95 3.61 -0.16 7.40 0.00 -1.10 -3.82 121.76 128.64 1ulp s ALA 66 Ca 0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1ulp s ALA 66 Cb -0.19 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.51 1ulp s ALA 66 CO -0.07 0.75 0.36 0.99 0.00 0.00 0.00 175.76 177.79 1ulp s THR 67 N -1.38 -0.24 -0.07 0.00 2.01 -0.91 -2.67 115.64 112.38 1ulp s THR 67 Ca 0.29 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1ulp s THR 67 Cb -0.12 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1ulp s THR 67 CO 0.22 0.06 -0.14 0.00 -0.69 0.00 0.00 174.62 174.07 1ulp s ALA 68 N 1.84 2.63 0.59 7.40 0.00 -1.11 -0.63 121.76 132.49 1ulp s ALA 68 Ca -0.06 -0.96 0.32 0.00 0.00 0.00 0.00 51.96 51.26 1ulp s ALA 68 Cb -0.10 -1.03 1.26 0.00 0.00 0.00 0.00 23.12 23.25 1ulp s ALA 68 CO -0.11 0.46 1.55 0.77 0.00 0.00 0.00 175.76 178.43 1ulp h SER 69 N 5.76 0.00 -1.63 0.00 0.02 -1.72 -3.27 113.55 112.71 1ulp h SER 69 Ca -0.40 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.98 1ulp h SER 69 Cb 1.17 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 1ulp h SER 69 CO 0.52 0.00 -0.51 0.28 -1.14 0.00 0.00 176.83 175.98 1ulp s THR 70 N -4.60 2.36 -1.41 -2.27 -1.32 -1.26 -4.48 115.64 102.66 1ulp s THR 70 Ca -0.04 -1.72 -0.10 0.00 -1.21 0.00 0.00 61.69 58.62 1ulp s THR 70 Cb 0.17 -2.99 0.07 0.00 -1.51 0.00 0.00 72.50 68.25 1ulp s THR 70 CO 0.59 -0.02 2.30 -0.90 -2.21 0.00 0.00 174.62 174.37 1ulp n ASP 71 N -1.21 6.08 -4.81 8.08 5.75 -1.26 -2.95 116.55 126.23 1ulp n ASP 71 Ca -0.01 -2.93 -0.38 0.00 -0.01 0.00 0.00 54.79 51.45 1ulp n ASP 71 Cb 0.64 -1.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.15 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ulp s VAL 72 N 1.21 4.75 -0.49 2.12 0.11 -1.20 -4.79 120.40 122.11 1ulp s VAL 72 Ca 0.51 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 60.77 1ulp s VAL 72 Cb 0.14 -3.88 0.14 0.00 -1.53 0.00 0.00 36.38 31.25 1ulp s VAL 72 CO -0.05 0.53 0.30 -0.89 -3.33 0.00 0.00 175.10 171.65 1ulp s THR 73 N -1.14 1.72 0.00 5.04 2.01 -1.26 -0.71 115.64 121.30 1ulp s THR 73 Ca 0.30 -2.97 0.00 0.00 0.31 0.00 0.00 61.69 59.32 1ulp s THR 73 Cb -0.19 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.14 1ulp s THR 73 CO 0.19 -0.94 0.00 1.33 -0.69 0.00 0.00 174.62 174.51 1ulp n VAL 74 N 3.14 0.00 -4.28 3.82 0.24 -1.20 -4.86 118.33 115.19 1ulp n VAL 74 Ca 0.12 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.21 1ulp n VAL 74 Cb 0.36 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.60 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 2.40 1.01 0.01 7.34 0.52 -1.18 -3.31 118.95 125.75 1ulp s ARG 75 Ca 0.00 -1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 54.04 1ulp s ARG 75 Cb 0.00 -1.13 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1ulp s ARG 75 CO 0.00 0.26 0.32 0.00 0.02 0.00 0.00 175.30 175.90 1ulp s ALA 76 N -1.14 -0.77 0.00 2.13 0.00 -0.75 -1.05 121.76 120.19 1ulp s ALA 76 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1ulp s ALA 76 Cb -0.10 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ulp s ALA 76 CO 0.03 -0.34 0.00 1.47 0.00 0.00 0.00 175.76 176.92 1ulp n LEU 77 N 0.91 0.00 -4.00 0.00 -0.00 -1.01 -2.97 117.00 109.93 1ulp n LEU 77 Ca -0.20 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 -0.05 0.00 -0.00 0.00 0.00 43.42 43.94 1ulp n LEU 77 CO 0.21 0.00 0.16 -0.69 -0.00 0.00 0.00 177.39 177.07 1ulp s VAL 78 N -4.00 0.00 0.03 1.47 1.01 -1.26 -3.01 120.40 114.65 1ulp s VAL 78 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.48 1ulp s VAL 78 Cb 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.23 1ulp s VAL 78 CO 0.00 -0.02 0.42 0.61 0.00 0.00 0.00 175.10 176.11 1ulp n GLY 79 N -0.37 0.79 3.14 4.51 0.00 -1.16 -3.50 105.19 108.60 1ulp n GLY 79 Ca -0.02 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ulp s GLN 80 N -2.01 2.27 -0.78 1.61 -2.07 -1.23 -2.03 119.66 115.42 1ulp s GLN 80 Ca 0.10 -1.39 -0.25 0.00 -1.82 0.00 0.00 55.36 51.99 1ulp s GLN 80 Cb -0.01 -3.18 -0.07 0.00 -1.09 0.00 0.00 33.01 28.67 1ulp s GLN 80 CO 0.01 -0.69 2.08 -0.80 -1.32 0.00 0.00 175.29 174.57 1ulp s ASN 81 N 1.27 4.80 0.00 12.60 -0.87 0.47 -4.43 114.94 128.78 1ulp s ASN 81 Ca -0.03 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.12 1ulp s ASN 81 Cb -0.20 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 1ulp s ASN 81 CO -0.03 -2.95 0.00 0.61 -2.57 0.00 0.00 177.10 172.16 1ulp n GLY 82 N 6.53 4.73 3.71 0.66 0.00 -1.26 -2.82 105.19 116.75 1ulp n GLY 82 Ca 0.37 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 83 N -1.42 1.90 -2.00 4.61 0.00 -1.26 -0.20 121.76 123.39 1ulp s ALA 83 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1ulp s ALA 83 Cb 0.00 -3.44 0.24 0.00 0.00 0.00 0.00 23.12 19.93 1ulp s ALA 83 CO 0.00 -2.18 1.03 -0.35 0.00 0.00 0.00 175.76 174.26 1ulp n PRO 84 N -3.37 0.87 -0.76 0.00 -0.04 -1.26 -4.47 135.00 125.96 1ulp n PRO 84 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1ulp n PRO 84 Cb 0.51 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.57 -2.03 0.00 0.54 4.01 0.73 -5.06 117.16 114.77 1ulp n TYR 85 Ca 0.03 1.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.89 1ulp n TYR 85 Cb 0.01 -1.85 0.00 0.00 -0.31 0.00 0.00 39.34 37.20 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -3.26 0.43 3.88 2.72 0.00 -1.26 -4.96 105.19 102.74 1ulp n GLY 86 Ca -0.05 0.63 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 1ulp n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 87 N 0.00 4.89 -0.00 2.61 -4.23 -1.26 -3.50 115.64 114.15 1ulp s THR 87 Ca 0.00 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1ulp s THR 87 Cb 0.00 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 1ulp s THR 87 CO 0.00 -0.26 0.00 1.33 -0.54 0.00 0.00 174.62 175.16 1ulp n VAL 88 N -0.65 0.01 -3.84 2.29 0.24 -1.23 -4.88 118.33 110.27 1ulp n VAL 88 Ca 0.01 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1ulp n VAL 88 Cb 0.53 -0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 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 -3.51 4.39 -0.46 1.34 1.02 -1.26 -4.83 118.68 115.38 1ulp s LEU 89 Ca -0.00 0.50 0.06 0.00 0.02 0.00 0.00 54.13 54.71 1ulp s LEU 89 Cb 0.00 -2.30 0.22 0.00 0.02 0.00 0.00 46.19 44.14 1ulp s LEU 89 CO 0.01 0.35 0.66 -0.90 0.02 0.00 0.00 176.35 176.50 1ulp n ASP 90 N 1.65 -1.81 -3.90 2.29 5.75 -1.26 -4.12 116.55 115.14 1ulp n ASP 90 Ca -0.17 -2.90 -0.20 0.00 -0.01 0.00 0.00 54.79 51.51 1ulp n ASP 90 Cb 0.54 0.76 -0.09 0.00 -1.03 0.00 0.00 41.12 41.31 1ulp n ASP 90 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ulp s THR 91 N 0.13 0.32 -0.16 2.12 -4.23 -1.16 -5.07 115.64 107.61 1ulp s THR 91 Ca 0.33 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1ulp s THR 91 Cb 0.13 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1ulp s THR 91 CO -0.16 0.00 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.30 1ulp s SER 92 N -3.42 2.91 0.65 3.99 0.01 -1.26 -1.80 113.70 114.77 1ulp s SER 92 Ca 0.34 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 1ulp s SER 92 Cb 0.04 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1ulp s SER 92 CO 0.19 -0.00 1.10 -2.16 0.41 0.00 0.00 173.24 172.77 1ulp s PRO 93 N 1.25 2.89 -0.04 12.44 0.04 -1.21 -4.90 135.00 145.48 1ulp s PRO 93 Ca 0.02 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.44 1ulp s PRO 93 Cb -0.14 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1ulp s PRO 93 CO -0.09 -1.17 -0.23 0.00 0.04 0.00 0.00 177.00 175.55 1ulp s ALA 94 N -2.42 1.92 0.27 8.56 0.00 -1.26 -3.24 121.76 125.59 1ulp s ALA 94 Ca 0.66 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1ulp s ALA 94 Cb -0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1ulp s ALA 94 CO 0.42 0.41 0.06 -0.51 0.00 0.00 0.00 175.76 176.14 1ulp s LEU 95 N -0.30 1.91 0.00 0.00 1.43 0.11 -4.83 118.68 117.01 1ulp s LEU 95 Ca 0.02 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1ulp s LEU 95 Cb -0.11 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.96 1ulp s LEU 95 CO 0.01 -0.65 0.00 1.07 0.23 0.00 0.00 176.35 177.01 1ulp n THR 96 N -0.52 0.00 0.01 5.49 5.66 -1.15 -3.24 114.28 120.53 1ulp n THR 96 Ca -0.02 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.95 1ulp n THR 96 Cb 0.66 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.59 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 0.00 3.34 -3.87 1.09 3.41 -1.25 -2.74 113.62 113.60 1ulp n SER 97 Ca 0.00 -2.60 -0.11 0.00 -0.26 0.00 0.00 58.87 55.90 1ulp n SER 97 Cb 0.00 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 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 -1.75 1.54 0.02 4.33 8.01 -1.26 -5.07 118.70 124.52 1ulp s GLU 98 Ca 0.27 -1.48 -0.30 0.00 0.01 0.00 0.00 54.97 53.47 1ulp s GLU 98 Cb 0.22 0.41 -0.05 0.00 -4.31 0.00 0.00 34.13 30.39 1ulp s GLU 98 CO 0.07 -0.61 1.28 -1.25 0.01 0.00 0.00 175.26 174.76 1ulp s PRO 99 N -3.83 4.35 -0.47 0.39 0.04 -1.26 -4.62 135.00 129.60 1ulp s PRO 99 Ca 0.29 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1ulp s PRO 99 Cb 0.02 -3.45 0.12 0.00 0.04 0.00 0.00 34.50 31.23 1ulp s PRO 99 CO 0.13 -0.42 0.21 1.03 0.04 0.00 0.00 177.00 177.99 1ulp s ARG 100 N 1.73 1.86 -0.65 4.56 0.52 -1.09 -5.01 118.95 120.88 1ulp s ARG 100 Ca 0.60 -2.39 -0.27 0.00 -0.52 0.00 0.00 55.73 53.14 1ulp s ARG 100 Cb -0.30 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1ulp s ARG 100 CO 0.27 -1.06 1.35 -1.14 0.02 0.00 0.00 175.30 174.74 1ulp s GLN 101 N 0.09 3.24 -0.03 3.54 -0.44 -1.26 -2.70 119.66 122.10 1ulp s GLN 101 Ca 0.15 0.13 -0.20 0.00 -2.50 0.00 0.00 55.36 52.94 1ulp s GLN 101 Cb -0.24 -4.15 -0.05 0.00 -1.64 0.00 0.00 33.01 26.93 1ulp s GLN 101 CO -0.03 -2.04 0.57 0.08 0.50 0.00 0.00 175.29 174.37 1ulp s VAL 102 N 5.96 4.97 -0.11 1.34 1.01 -0.15 -4.93 120.40 128.49 1ulp s VAL 102 Ca 0.44 1.19 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 1ulp s VAL 102 Cb -0.09 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1ulp s VAL 102 CO 0.20 0.40 0.26 -0.89 0.00 0.00 0.00 175.10 175.08 1ulp s THR 103 N -0.05 -0.03 -0.28 3.92 2.01 -1.26 -2.38 115.64 117.59 1ulp s THR 103 Ca 0.30 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1ulp s THR 103 Cb -0.18 -0.39 0.08 0.00 0.01 0.00 0.00 72.50 72.02 1ulp s THR 103 CO 0.16 0.04 0.71 -1.61 -0.69 0.00 0.00 174.62 173.23 1ulp s GLU 104 N 0.92 0.76 0.12 4.92 2.02 -1.13 -5.00 118.70 121.32 1ulp s GLU 104 Ca -0.06 1.11 -0.15 0.00 0.02 0.00 0.00 54.97 55.89 1ulp s GLU 104 Cb -0.08 0.26 -0.07 0.00 0.10 0.00 0.00 34.13 34.35 1ulp s GLU 104 CO -0.06 -0.12 0.53 0.99 0.02 0.00 0.00 175.26 176.61 1ulp s THR 105 N 1.04 4.87 0.13 3.63 2.01 -1.26 -2.62 115.64 123.44 1ulp s THR 105 Ca -0.05 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 1ulp s THR 105 Cb -0.05 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ulp s THR 105 CO -0.10 0.32 0.43 0.72 -0.69 0.00 0.00 174.62 175.30 1ulp s PHE 106 N -1.38 -0.25 -0.89 4.92 -0.12 -0.67 -4.98 117.98 114.62 1ulp s PHE 106 Ca 0.35 -0.05 -0.15 0.00 -0.05 0.00 0.00 56.93 57.03 1ulp s PHE 106 Cb -0.16 0.30 0.20 0.00 -0.63 0.00 0.00 43.02 42.73 1ulp s PHE 106 CO 0.19 -0.72 0.90 0.99 -0.05 0.00 0.00 175.22 176.53 1ulp s THR 107 N -3.76 5.40 -0.58 -4.49 2.01 -1.26 -0.54 115.64 112.42 1ulp s THR 107 Ca 0.02 -2.32 -0.36 0.00 0.31 0.00 0.00 61.69 59.35 1ulp s THR 107 Cb 0.01 -4.57 -0.16 0.00 0.01 0.00 0.00 72.50 67.79 1ulp s THR 107 CO -0.12 -1.18 2.33 0.00 -0.69 0.00 0.00 174.62 174.96 1ulp n ALA 108 N 4.58 0.58 -1.70 7.40 0.00 0.20 -4.52 120.51 127.06 1ulp n ALA 108 Ca 0.18 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1ulp n ALA 108 Cb 0.47 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 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 9.91 7.13 0.00 0.00 3.41 -1.26 -1.21 113.62 131.60 1ulp n SER 109 Ca 0.52 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1ulp n SER 109 Cb 0.13 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 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 1.27 0.00 -3.65 7.33 0.00 -0.98 -4.76 120.51 119.73 1ulp n ALA 110 Ca 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.83 1ulp n ALA 110 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.48 -0.33 -0.70 0.00 2.01 -1.26 0.16 115.64 113.04 1ulp s THR 111 Ca 0.00 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1ulp s THR 111 Cb 0.00 -0.40 0.31 0.00 0.01 0.00 0.00 72.50 72.42 1ulp s THR 111 CO 0.00 0.10 1.05 -1.22 -0.69 0.00 0.00 174.62 173.86 1ulp n TYR 112 N 5.34 3.64 -2.36 4.92 4.01 -0.09 -4.51 117.16 128.10 1ulp n TYR 112 Ca -0.05 -3.74 -0.36 0.00 -0.16 0.00 0.00 57.90 53.58 1ulp n TYR 112 Cb 0.50 -0.66 -0.02 0.00 -0.31 0.00 0.00 39.34 38.85 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 -3.26 3.78 0.00 -0.72 0.04 -1.24 -2.47 135.00 131.12 1ulp s PRO 113 Ca 0.44 1.63 0.17 0.00 0.04 0.00 0.00 61.00 63.28 1ulp s PRO 113 Cb 0.21 -2.32 1.03 0.00 0.04 0.00 0.00 34.50 33.47 1ulp s PRO 113 CO -0.08 -0.50 1.60 0.00 0.04 0.00 0.00 177.00 178.06 1ulp n ALA 114 N -0.60 2.51 -2.62 8.56 0.00 -1.25 -3.69 120.51 123.41 1ulp n ALA 114 Ca 0.08 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1ulp n ALA 114 Cb 0.49 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.00 4.82 -0.49 0.00 -4.23 -1.26 -4.99 115.64 107.49 1ulp s THR 115 Ca 0.26 -0.12 -0.28 0.00 -1.18 0.00 0.00 61.69 60.37 1ulp s THR 115 Cb 0.12 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1ulp s THR 115 CO 0.20 -0.71 1.56 -2.16 -0.54 0.00 0.00 174.62 172.96 1ulp s PRO 116 N 2.82 3.27 0.07 3.99 0.04 -1.26 -4.35 135.00 139.58 1ulp s PRO 116 Ca 0.20 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 1ulp s PRO 116 Cb -0.16 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.25 1ulp s PRO 116 CO 0.16 -1.95 0.31 0.00 0.04 0.00 0.00 177.00 175.56 1ulp s ALA 117 N 6.53 -0.67 0.02 8.56 0.00 0.02 -5.00 121.76 131.22 1ulp s ALA 117 Ca 0.62 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 1ulp s ALA 117 Cb -0.14 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1ulp s ALA 117 CO 0.28 -0.49 1.10 0.00 0.00 0.00 0.00 175.76 176.65 1ulp h ALA 118 N 2.90 -0.72 0.00 0.00 0.00 -1.94 -1.91 119.26 117.58 1ulp h ALA 118 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ulp h ALA 118 Cb 1.21 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ulp h ALA 118 CO 0.48 -0.74 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1ulp n ASP 119 N -2.92 0.00 -3.42 0.00 9.92 -1.26 -4.02 116.55 114.85 1ulp n ASP 119 Ca -0.02 -0.49 -0.26 0.00 -0.53 0.00 0.00 54.79 53.49 1ulp n ASP 119 Cb 0.08 -0.13 -0.09 0.00 -0.64 0.00 0.00 41.12 40.34 1ulp n ASP 119 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ulp n ASP 120 N -1.13 2.13 -4.79 -2.24 8.00 -0.74 -5.00 116.55 112.78 1ulp n ASP 120 Ca 0.16 -3.07 -0.31 0.00 0.71 0.00 0.00 54.79 52.29 1ulp n ASP 120 Cb 0.14 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 40.66 1ulp n ASP 120 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ulp s PRO 121 N -1.68 2.38 0.00 -0.24 0.04 -1.06 -0.80 135.00 133.65 1ulp s PRO 121 Ca 0.35 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ulp s PRO 121 Cb 0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1ulp s PRO 121 CO -0.08 -1.48 0.00 -0.85 0.04 0.00 0.00 177.00 174.62 1ulp n GLU 122 N -3.38 1.86 -3.91 4.56 0.28 -1.13 -3.73 120.64 115.19 1ulp n GLU 122 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.99 1ulp n GLU 122 Cb 0.54 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.33 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 -1.46 0.17 0.00 -1.84 0.00 -1.25 0.18 107.32 103.12 1ulp s GLY 123 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1ulp s GLY 123 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.85 1ulp n GLN 124 N 0.18 0.00 -5.17 2.90 -0.00 -0.86 -1.54 117.38 112.88 1ulp n GLN 124 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.53 1ulp n GLN 124 Cb 0.61 0.00 -0.15 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 -1.66 2.37 -0.17 -0.39 1.01 -1.12 -2.97 121.20 118.26 1ulp s ILE 125 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1ulp s ILE 125 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.62 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 -0.60 2.44 -0.34 9.38 0.00 -1.16 -2.96 121.76 128.52 1ulp s ALA 126 Ca 0.09 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.92 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 -0.21 0.07 -0.06 0.00 0.00 0.00 175.76 175.56 1ulp s PHE 127 N 1.09 3.54 -0.96 0.00 0.40 -0.72 -2.40 117.98 118.94 1ulp s PHE 127 Ca -0.00 -2.50 -0.18 0.00 -0.60 0.00 0.00 56.93 53.64 1ulp s PHE 127 Cb -0.14 -2.72 0.13 0.00 0.51 0.00 0.00 43.02 40.80 1ulp s PHE 127 CO -0.06 -0.92 1.17 -0.65 0.70 0.00 0.00 175.22 175.47 1ulp s GLN 128 N 1.07 3.64 -0.56 0.44 -1.52 -0.22 -1.13 119.66 121.39 1ulp s GLN 128 Ca 0.04 -1.81 -0.02 0.00 -1.95 0.00 0.00 55.36 51.62 1ulp s GLN 128 Cb -0.20 -4.95 0.26 0.00 -0.22 0.00 0.00 33.01 27.89 1ulp s GLN 128 CO -0.05 -1.79 2.24 1.28 -0.25 0.00 0.00 175.29 176.72 1ulp n LEU 129 N 6.58 7.02 -4.70 2.90 4.77 0.38 -3.08 117.00 130.86 1ulp n LEU 129 Ca 0.26 -4.10 -0.36 0.00 -0.03 0.00 0.00 56.01 51.78 1ulp n LEU 129 Cb 0.49 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.40 1ulp n LEU 129 CO 0.52 1.55 -0.14 -0.83 -1.33 0.00 0.00 177.39 177.16 1ulp s GLY 130 N -0.55 2.05 -0.75 -0.72 0.00 -0.48 -2.25 107.32 104.62 1ulp s GLY 130 Ca 0.52 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1ulp s GLY 130 CO -0.16 0.32 0.52 0.61 0.00 0.00 0.00 173.10 174.40 1ulp n GLY 131 N 3.81 -1.08 1.20 0.20 0.00 -0.45 -4.85 105.19 104.01 1ulp n GLY 131 Ca -0.15 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.60 -0.33 -2.27 1.61 3.72 -1.25 -5.00 117.46 111.34 1ulp n PHE 132 Ca -0.26 0.06 -0.19 0.00 -0.05 0.00 0.00 57.45 57.00 1ulp n PHE 132 Cb 0.59 0.09 0.11 0.00 -0.94 0.00 0.00 39.48 39.33 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 -3.36 0.74 0.00 4.37 2.88 -1.26 -4.89 113.62 112.10 1ulp n SER 133 Ca 0.00 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 1ulp n SER 133 Cb 0.10 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 -3.16 0.00 -0.92 -1.46 0.00 -1.26 -3.82 120.51 109.89 1ulp n ALA 134 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1ulp n ALA 134 Cb 0.45 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.16 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 0.20 0.05 0.00 1.11 -1.26 0.26 116.67 116.03 1ulp s ASP 135 Ca 0.00 0.57 -0.30 0.00 0.18 0.00 0.00 52.55 53.00 1ulp s ASP 135 Cb 0.00 -0.76 -0.05 0.00 1.07 0.00 0.00 42.92 43.18 1ulp s ASP 135 CO 0.00 -4.56 1.17 0.00 1.18 0.00 0.00 175.17 172.96 1ulp s ALA 136 N -2.86 3.36 0.00 5.23 0.00 -1.26 -1.81 121.76 124.42 1ulp s ALA 136 Ca 0.71 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1ulp s ALA 136 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1ulp s ALA 136 CO 0.56 -0.41 0.00 -2.67 0.00 0.00 0.00 175.76 173.24 1ulp n TRP 137 N 3.95 0.00 -3.85 0.00 2.14 -0.76 -4.85 117.44 114.07 1ulp n TRP 137 Ca 0.09 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.58 1ulp n TRP 137 Cb 0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.96 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 -0.15 0.00 0.22 -1.67 2.01 -1.26 -1.36 115.64 113.42 1ulp s THR 138 Ca 0.00 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.12 1ulp s THR 138 Cb 0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1ulp s THR 138 CO 0.00 0.00 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.97 1ulp s LEU 139 N -2.95 2.51 -0.37 4.42 1.02 -1.17 -3.52 118.68 118.62 1ulp s LEU 139 Ca 0.12 -0.95 0.04 0.00 0.02 0.00 0.00 54.13 53.36 1ulp s LEU 139 Cb -0.06 -0.98 0.16 0.00 0.02 0.00 0.00 46.19 45.33 1ulp s LEU 139 CO 0.08 0.01 0.42 0.00 0.02 0.00 0.00 176.35 176.87 1ulp n LEU 141 N 4.36 0.00 0.00 0.00 4.77 -0.45 -2.13 117.00 123.56 1ulp n LEU 141 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ulp n LEU 141 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ulp n LEU 141 CO 0.06 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.22 1ulp n ASP 142 N 0.00 0.00 -4.31 -1.43 5.75 -1.25 -1.06 116.55 114.25 1ulp n ASP 142 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1ulp n ASP 142 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ulp s ASP 143 N 0.00 3.18 -0.22 -1.12 2.15 -1.25 0.15 116.67 119.56 1ulp s ASP 143 Ca 0.00 -0.46 -0.04 0.00 0.43 0.00 0.00 52.55 52.48 1ulp s ASP 143 Cb 0.00 -0.64 0.11 0.00 -0.30 0.00 0.00 42.92 42.09 1ulp s ASP 143 CO 0.00 0.29 0.36 -0.69 -0.17 0.00 0.00 175.17 174.95 1ulp s VAL 144 N -0.41 -0.57 0.13 1.11 1.01 -1.23 -3.53 120.40 116.92 1ulp s VAL 144 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1ulp s VAL 144 Cb -0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1ulp s VAL 144 CO 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 175.10 174.87 1ulp s ALA 145 N 2.53 1.78 -0.33 5.51 0.00 -1.14 -3.42 121.76 126.69 1ulp s ALA 145 Ca 0.08 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.75 1ulp s ALA 145 Cb -0.14 -0.17 0.19 0.00 0.00 0.00 0.00 23.12 23.00 1ulp s ALA 145 CO -0.14 0.23 0.60 -1.17 0.00 0.00 0.00 175.76 175.27 1ulp s LEU 146 N -2.38 -1.57 0.32 0.00 2.96 -1.26 -2.97 118.68 113.78 1ulp s LEU 146 Ca 0.11 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1ulp s LEU 146 Cb -0.07 1.98 -0.06 0.00 0.50 0.00 0.00 46.19 48.54 1ulp s LEU 146 CO 0.05 -0.26 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.11 1ulp s ASP 147 N 2.49 3.39 -0.31 3.68 2.15 -1.26 -4.89 116.67 121.92 1ulp s ASP 147 Ca 0.12 -1.18 -0.05 0.00 0.43 0.00 0.00 52.55 51.88 1ulp s ASP 147 Cb -0.08 -0.28 0.04 0.00 -0.30 0.00 0.00 42.92 42.29 1ulp s ASP 147 CO -0.20 -0.23 0.05 -0.94 -0.17 0.00 0.00 175.17 173.69 1ulp s SER 148 N -3.54 5.06 -0.03 -0.34 1.04 -1.25 -3.30 113.70 111.33 1ulp s SER 148 Ca 0.31 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.64 1ulp s SER 148 Cb 0.02 -1.80 0.01 0.00 0.10 0.00 0.00 66.02 64.35 1ulp s SER 148 CO 0.15 -0.26 0.05 1.21 0.98 0.00 0.00 173.24 175.37 1ulp n GLU 149 N 4.75 -3.82 -0.43 4.02 4.07 -1.26 -4.89 120.64 123.08 1ulp n GLU 149 Ca -0.13 2.81 -0.18 0.00 -0.06 0.00 0.00 57.16 59.60 1ulp n GLU 149 Cb 0.45 -3.72 0.16 0.00 -0.06 0.00 0.00 31.44 28.27 1ulp n GLU 149 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1ulp n VAL 150 N 1.91 0.00 -2.88 6.31 0.24 -1.26 -4.09 118.33 118.56 1ulp n VAL 150 Ca -0.09 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 1ulp n VAL 150 Cb 0.14 -0.93 0.03 0.00 -1.47 0.00 0.00 33.84 31.61 1ulp n VAL 150 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ulp n GLU 151 N -3.79 -4.18 -0.45 7.34 2.13 -1.26 -5.26 120.64 115.17 1ulp n GLU 151 Ca 0.09 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1ulp n GLU 151 Cb 0.35 -5.57 0.00 0.00 0.27 0.00 0.00 31.44 26.49 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61