#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 -0.60 0.00 0.00 0.01 -1.26 -5.13 113.70 106.72 1ulp s SER 2 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1ulp s SER 2 Cb 0.00 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1ulp s SER 2 CO 0.00 -0.18 0.00 -0.81 0.41 0.00 0.00 173.24 172.66 1ulp n PRO 3 N 2.80 1.76 -0.00 12.44 -0.04 -1.26 -4.26 135.00 146.44 1ulp n PRO 3 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1ulp n PRO 3 Cb 0.56 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.88 1ulp n PRO 3 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1ulp h ILE 4 N -0.12 0.78 0.00 0.52 3.07 -1.87 -3.43 117.51 116.46 1ulp h ILE 4 Ca 0.00 -2.57 0.00 0.00 1.55 0.00 0.00 64.86 63.84 1ulp h ILE 4 Cb 0.00 2.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 1ulp h ILE 4 CO 0.00 0.68 0.00 0.61 -1.05 0.00 0.00 178.15 178.39 1ulp n GLY 5 N 1.74 0.67 0.00 0.16 0.00 -1.26 -4.85 105.19 101.64 1ulp n GLY 5 Ca -0.23 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ulp n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulp n GLU 6 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.93 120.64 118.20 1ulp n GLU 6 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ulp n GLU 6 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 7 N 0.00 -0.42 3.84 8.31 0.00 -1.15 -4.97 105.19 110.80 1ulp n GLY 7 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 2.87 0.25 2.61 -4.23 -1.26 0.19 115.64 116.06 1ulp s THR 8 Ca 0.00 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1ulp s THR 8 Cb 0.00 -3.04 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1ulp s THR 8 CO 0.00 -0.06 1.61 -0.26 -0.54 0.00 0.00 174.62 175.37 1ulp h PHE 9 N 1.18 0.44 -3.78 3.99 0.04 -1.78 -3.46 116.94 113.58 1ulp h PHE 9 Ca -0.43 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1ulp h PHE 9 Cb 1.26 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1ulp h PHE 9 CO 0.54 0.77 0.00 -3.47 -0.60 0.00 0.00 178.31 175.55 1ulp n ASP 10 N -3.98 -0.66 0.00 2.17 2.03 -0.30 -2.61 116.55 113.20 1ulp n ASP 10 Ca -0.02 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1ulp n ASP 10 Cb 0.53 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.79 0.00 -4.30 1.67 9.92 -1.26 -4.60 116.55 117.18 1ulp n ASP 11 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1ulp n ASP 11 Cb 0.33 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.67 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ulp s GLY 12 N 0.00 1.28 0.00 0.44 0.00 -1.07 -4.47 107.32 103.50 1ulp s GLY 12 Ca 0.00 -1.20 0.13 0.00 0.00 0.00 0.00 44.72 43.65 1ulp s GLY 12 CO 0.00 -1.12 1.35 -1.55 0.00 0.00 0.00 173.10 171.78 1ulp n PRO 13 N 1.65 0.80 0.00 2.90 -0.04 -1.26 -4.47 135.00 134.59 1ulp n PRO 13 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ulp n PRO 13 Cb 0.53 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.75 0.00 0.00 0.54 -0.58 -1.26 -1.79 120.64 116.80 1ulp n GLU 14 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1ulp n GLU 14 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulp n GLY 15 N 0.00 -0.61 3.56 0.62 0.00 -1.26 -5.00 105.19 102.50 1ulp n GLY 15 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.05 1.26 0.43 1.61 0.52 -0.74 -4.26 118.94 117.70 1ulp s TRP 16 Ca 0.00 1.85 -0.00 0.00 0.02 0.00 0.00 56.10 57.96 1ulp s TRP 16 Cb 0.00 -3.51 -0.01 0.00 -1.15 0.00 0.00 33.47 28.80 1ulp s TRP 16 CO 0.00 -1.41 0.65 0.14 0.02 0.00 0.00 176.95 176.35 1ulp s VAL 17 N 14.55 4.37 -0.06 4.03 -7.23 -0.59 -4.89 120.40 130.58 1ulp s VAL 17 Ca 0.87 -0.43 -0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1ulp s VAL 17 Cb -0.10 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.26 1ulp s VAL 17 CO 0.09 -0.44 0.12 0.00 -0.31 0.00 0.00 175.10 174.56 1ulp s ALA 18 N -2.51 -0.18 0.23 1.32 0.00 -1.26 -0.85 121.76 118.51 1ulp s ALA 18 Ca 0.46 0.59 0.11 0.00 0.00 0.00 0.00 51.96 53.12 1ulp s ALA 18 Cb -0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1ulp s ALA 18 CO 0.38 -0.15 -0.17 1.52 0.00 0.00 0.00 175.76 177.33 1ulp s TYR 19 N 1.18 2.40 -0.34 0.00 -0.85 -0.80 -4.70 117.35 114.24 1ulp s TYR 19 Ca -0.09 -0.31 -0.02 0.00 -0.52 0.00 0.00 57.07 56.13 1ulp s TYR 19 Cb -0.12 -1.11 0.00 0.00 0.38 0.00 0.00 41.96 41.11 1ulp s TYR 19 CO -0.05 0.60 0.29 0.41 -1.52 0.00 0.00 175.55 175.28 1ulp n GLY 20 N -0.25 0.53 0.00 5.49 0.00 -1.26 -2.71 105.19 107.00 1ulp n GLY 20 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ulp n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 21 N -2.94 0.00 -1.33 2.61 -2.24 -1.26 -4.32 114.28 104.79 1ulp n THR 21 Ca -0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1ulp n THR 21 Cb 0.52 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 6.87 0.00 3.42 -0.08 -1.20 -4.92 116.55 120.63 1ulp n ASP 22 Ca 0.00 -3.76 0.00 0.00 -1.51 0.00 0.00 54.79 49.52 1ulp n ASP 22 Cb 0.00 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 42.53 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 -0.96 0.66 3.74 0.27 0.00 -1.26 -5.03 105.19 102.60 1ulp n GLY 23 Ca 0.62 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.74 4.51 0.96 1.61 0.04 -1.26 -4.87 135.00 135.24 1ulp s PRO 24 Ca 0.00 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1ulp s PRO 24 Cb 0.00 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.46 1ulp s PRO 24 CO 0.00 -0.07 0.40 1.47 0.04 0.00 0.00 177.00 178.84 1ulp n LEU 25 N 2.62 0.00 -3.57 -3.56 -0.00 -1.26 -4.89 117.00 106.33 1ulp n LEU 25 Ca 0.04 -0.41 -0.12 0.00 -0.00 0.00 0.00 56.01 55.53 1ulp n LEU 25 Cb 0.45 -0.73 -0.04 0.00 -0.00 0.00 0.00 43.42 43.10 1ulp n LEU 25 CO 0.55 -2.40 0.24 -0.62 -0.00 0.00 0.00 177.39 175.16 1ulp s ASP 26 N -1.96 -0.36 0.00 1.45 2.15 -1.13 -5.00 116.67 111.82 1ulp s ASP 26 Ca 0.31 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.17 1ulp s ASP 26 Cb -0.05 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1ulp s ASP 26 CO 0.26 -0.84 0.00 0.35 -0.17 0.00 0.00 175.17 174.77 1ulp n THR 27 N -0.08 0.00 -2.13 1.71 -2.24 -1.26 -1.12 114.28 109.17 1ulp n THR 27 Ca -0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1ulp n THR 27 Cb 0.63 -0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1ulp n THR 27 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ulp n SER 28 N -1.73 -0.89 -0.58 3.42 3.41 -1.26 -4.42 113.62 111.57 1ulp n SER 28 Ca 0.00 0.37 -0.02 0.00 -0.26 0.00 0.00 58.87 58.96 1ulp n SER 28 Cb 0.00 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 62.95 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ulp n THR 29 N -2.17 0.00 -1.48 6.66 5.66 -1.26 -4.96 114.28 116.74 1ulp n THR 29 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 1ulp n THR 29 Cb 0.38 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ulp n GLY 30 N 0.00 1.56 3.08 1.09 0.00 -1.26 -4.85 105.19 104.82 1ulp n GLY 30 Ca -0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.40 0.02 -0.75 4.61 0.00 -1.26 -1.15 121.76 120.82 1ulp s ALA 31 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1ulp s ALA 31 Cb 0.00 0.22 0.12 0.00 0.00 0.00 0.00 23.12 23.45 1ulp s ALA 31 CO 0.00 -0.28 0.92 -1.17 0.00 0.00 0.00 175.76 175.23 1ulp s LEU 32 N -2.00 5.19 -0.54 0.00 2.96 -0.69 -4.13 118.68 119.45 1ulp s LEU 32 Ca -0.07 -1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 52.01 1ulp s LEU 32 Cb -0.03 -2.35 0.13 0.00 0.50 0.00 0.00 46.19 44.44 1ulp s LEU 32 CO -0.04 -1.12 0.49 0.00 -1.32 0.00 0.00 176.35 174.36 1ulp s VAL 34 N 1.48 4.84 -0.65 0.00 -7.23 -0.54 -2.82 120.40 115.48 1ulp s VAL 34 Ca 0.04 0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 60.83 1ulp s VAL 34 Cb -0.28 -3.73 0.09 0.00 0.56 0.00 0.00 36.38 33.02 1ulp s VAL 34 CO 0.02 0.19 0.85 0.00 -0.31 0.00 0.00 175.10 175.85 1ulp s ALA 35 N -1.53 3.28 -0.06 1.32 0.00 -1.26 -2.86 121.76 120.65 1ulp s ALA 35 Ca 0.40 -2.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.00 1ulp s ALA 35 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1ulp s ALA 35 CO 0.19 -2.59 0.77 0.08 0.00 0.00 0.00 175.76 174.22 1ulp s VAL 36 N 3.28 4.99 1.32 0.00 1.01 0.07 -3.26 120.40 127.82 1ulp s VAL 36 Ca 0.18 1.60 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 1ulp s VAL 36 Cb -0.19 -4.11 0.33 0.00 0.00 0.00 0.00 36.38 32.41 1ulp s VAL 36 CO 0.07 0.21 1.02 -2.16 0.00 0.00 0.00 175.10 174.24 1ulp s PRO 37 N 0.98 -2.15 -0.05 2.72 0.04 -1.26 -1.79 135.00 133.48 1ulp s PRO 37 Ca 0.41 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 1ulp s PRO 37 Cb -0.18 -1.48 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 1ulp s PRO 37 CO 0.20 -4.34 1.99 0.00 0.04 0.00 0.00 177.00 174.88 1ulp s ALA 38 N -2.64 3.35 0.00 8.56 0.00 -1.26 -2.92 121.76 126.84 1ulp s ALA 38 Ca 0.70 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1ulp s ALA 38 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1ulp s ALA 38 CO 0.57 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1ulp n GLY 39 N 4.83 -0.30 3.42 0.00 0.00 0.71 -2.30 105.19 111.55 1ulp n GLY 39 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.63 -4.24 -4.59 1.61 2.88 -1.15 -3.86 113.62 103.63 1ulp n SER 40 Ca 0.00 -0.57 -0.42 0.00 -1.33 0.00 0.00 58.87 56.55 1ulp n SER 40 Cb 0.30 -1.34 -0.05 0.00 -0.75 0.00 0.00 64.21 62.37 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 -2.21 3.45 -0.07 -1.46 0.00 -0.97 -2.90 121.76 117.59 1ulp s ALA 41 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1ulp s ALA 41 Cb -0.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ulp s ALA 41 CO 0.75 -1.41 0.00 0.00 0.00 0.00 0.00 175.76 175.11 1ulp n GLN 42 N 6.32 -1.25 -3.46 0.00 10.64 -1.26 -4.90 117.38 123.47 1ulp n GLN 42 Ca 0.02 0.35 -0.26 0.00 -1.83 0.00 0.00 57.00 55.28 1ulp n GLN 42 Cb 0.48 -4.30 -0.09 0.00 -0.86 0.00 0.00 30.24 25.47 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 -2.38 0.88 -1.52 2.61 9.36 -1.24 -5.04 117.16 119.81 1ulp n TYR 43 Ca -0.01 -3.73 -0.36 0.00 3.32 0.00 0.00 57.90 57.12 1ulp n TYR 43 Cb 0.32 -0.22 -0.11 0.00 -0.63 0.00 0.00 39.34 38.71 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ulp n GLY 44 N 1.98 -0.22 3.58 2.98 0.00 -1.26 -4.61 105.19 107.64 1ulp n GLY 44 Ca 0.25 0.82 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 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 9.88 4.69 0.00 1.61 1.01 -0.99 -4.60 120.40 131.99 1ulp s VAL 45 Ca 1.19 0.87 0.03 0.00 0.00 0.00 0.00 61.98 64.07 1ulp s VAL 45 Cb -0.74 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.38 1ulp s VAL 45 CO 0.38 -0.50 -0.09 -0.83 0.00 0.00 0.00 175.10 174.06 1ulp s GLY 46 N 1.90 0.45 -0.22 4.51 0.00 -1.10 0.19 107.32 113.05 1ulp s GLY 46 Ca 0.32 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.54 1ulp s GLY 46 CO 0.18 -0.38 0.06 0.14 0.00 0.00 0.00 173.10 173.10 1ulp s VAL 47 N -0.34 4.39 -0.02 1.40 1.01 0.11 -1.90 120.40 125.06 1ulp s VAL 47 Ca 0.02 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1ulp s VAL 47 Cb -0.04 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ulp s VAL 47 CO -0.00 0.38 -0.25 0.68 0.00 0.00 0.00 175.10 175.91 1ulp s VAL 48 N 1.19 2.11 -0.33 2.92 -7.23 -0.03 -1.69 120.40 117.34 1ulp s VAL 48 Ca 0.04 -1.11 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1ulp s VAL 48 Cb -0.14 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.17 1ulp s VAL 48 CO 0.03 0.57 0.11 -0.22 -0.31 0.00 0.00 175.10 175.28 1ulp s LEU 49 N -0.66 2.46 0.22 1.32 2.96 -1.16 -1.54 118.68 122.28 1ulp s LEU 49 Ca 0.10 -1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 51.91 1ulp s LEU 49 Cb -0.10 -0.94 -0.08 0.00 0.50 0.00 0.00 46.19 45.57 1ulp s LEU 49 CO -0.01 -0.39 1.04 0.54 -1.32 0.00 0.00 176.35 176.20 1ulp s ASN 50 N 1.41 7.41 0.00 3.68 2.20 -1.26 -2.82 114.94 125.55 1ulp s ASN 50 Ca 0.11 2.07 0.00 0.00 -0.94 0.00 0.00 52.86 54.10 1ulp s ASN 50 Cb -0.18 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.46 1ulp s ASN 50 CO -0.21 -0.06 0.00 0.61 -2.94 0.00 0.00 177.10 174.50 1ulp n GLY 51 N 1.64 0.26 3.31 0.45 0.00 -1.21 -4.89 105.19 104.75 1ulp n GLY 51 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1ulp n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 52 N 0.00 0.41 -0.40 1.61 1.01 -1.09 -2.53 120.40 119.40 1ulp s VAL 52 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.01 1ulp s VAL 52 Cb 0.00 -2.58 0.16 0.00 0.00 0.00 0.00 36.38 33.97 1ulp s VAL 52 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 175.10 175.42 1ulp s ALA 53 N -3.75 1.35 0.28 5.51 0.00 -1.18 -3.08 121.76 120.89 1ulp s ALA 53 Ca 0.37 -2.37 0.12 0.00 0.00 0.00 0.00 51.96 50.08 1ulp s ALA 53 Cb 0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1ulp s ALA 53 CO 0.15 -2.00 -0.19 0.42 0.00 0.00 0.00 175.76 174.14 1ulp s ILE 54 N 0.22 2.55 -0.18 0.00 -1.09 -0.63 -4.88 121.20 117.18 1ulp s ILE 54 Ca 0.30 -2.36 -0.11 0.00 -2.23 0.00 0.00 60.65 56.24 1ulp s ILE 54 Cb -0.01 -2.34 0.06 0.00 -1.58 0.00 0.00 42.46 38.59 1ulp s ILE 54 CO -0.16 -0.39 0.45 -0.70 -1.23 0.00 0.00 174.94 172.91 1ulp s GLU 55 N -3.50 0.46 0.00 2.79 2.12 -1.23 -0.91 118.70 118.42 1ulp s GLU 55 Ca 0.30 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1ulp s GLU 55 Cb -0.05 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1ulp s GLU 55 CO 0.15 -0.14 0.00 -0.85 -0.54 0.00 0.00 175.26 173.88 1ulp n GLU 56 N 4.02 0.00 -2.75 4.30 0.28 0.45 -3.05 120.64 123.89 1ulp n GLU 56 Ca -0.21 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.36 1ulp n GLU 56 Cb 0.56 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 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 1.86 0.42 -1.84 0.00 -1.21 -2.11 107.32 104.44 1ulp s GLY 57 Ca 0.00 -2.92 0.07 0.00 0.00 0.00 0.00 44.72 41.88 1ulp s GLY 57 CO 0.00 2.39 0.24 -1.59 0.00 0.00 0.00 173.10 174.14 1ulp s THR 58 N 3.28 2.34 0.32 0.90 2.01 -0.35 -4.87 115.64 119.27 1ulp s THR 58 Ca 0.46 -1.60 -0.08 0.00 0.31 0.00 0.00 61.69 60.78 1ulp s THR 58 Cb -0.00 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1ulp s THR 58 CO -0.01 0.00 0.63 -0.89 -0.69 0.00 0.00 174.62 173.67 1ulp s THR 59 N -2.58 4.92 0.38 -0.82 2.01 -1.26 0.76 115.64 119.05 1ulp s THR 59 Ca 0.42 0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 1ulp s THR 59 Cb 0.02 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.86 1ulp s THR 59 CO 0.23 -0.36 0.74 -1.22 -0.69 0.00 0.00 174.62 173.33 1ulp n TYR 60 N -0.97 -2.26 -3.42 4.92 4.01 -0.17 -3.92 117.16 115.37 1ulp n TYR 60 Ca 0.00 -1.86 -0.11 0.00 -0.16 0.00 0.00 57.90 55.77 1ulp n TYR 60 Cb 0.54 0.87 -0.09 0.00 -0.31 0.00 0.00 39.34 40.35 1ulp n TYR 60 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ulp s THR 61 N -2.19 -0.55 -0.23 -0.72 2.01 -1.19 -2.11 115.64 110.66 1ulp s THR 61 Ca 0.17 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1ulp s THR 61 Cb -0.04 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1ulp s THR 61 CO 0.12 -0.11 0.62 -0.22 -0.69 0.00 0.00 174.62 174.34 1ulp s LEU 62 N 2.50 4.09 -0.02 4.42 2.96 -0.92 -4.19 118.68 127.53 1ulp s LEU 62 Ca 0.10 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1ulp s LEU 62 Cb -0.15 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1ulp s LEU 62 CO -0.14 -0.33 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.80 1ulp s ARG 63 N 2.27 1.41 -0.23 1.98 3.52 -1.15 -2.76 118.95 123.98 1ulp s ARG 63 Ca 0.27 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 1ulp s ARG 63 Cb -0.16 -1.31 0.16 0.00 -1.56 0.00 0.00 34.95 32.09 1ulp s ARG 63 CO 0.09 0.29 1.21 1.52 -0.81 0.00 0.00 175.30 177.60 1ulp s TYR 64 N -0.19 -0.16 -0.51 5.12 -0.85 -0.88 -2.45 117.35 117.43 1ulp s TYR 64 Ca 0.02 0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.87 1ulp s TYR 64 Cb -0.08 0.48 0.13 0.00 0.38 0.00 0.00 41.96 42.87 1ulp s TYR 64 CO 0.00 -0.16 0.25 0.99 -1.52 0.00 0.00 175.55 175.11 1ulp s THR 65 N -1.23 2.65 0.12 -3.49 2.01 -1.26 -1.07 115.64 113.37 1ulp s THR 65 Ca 0.05 -3.20 -0.16 0.00 0.31 0.00 0.00 61.69 58.69 1ulp s THR 65 Cb -0.01 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 1ulp s THR 65 CO -0.04 -0.79 0.56 0.00 -0.69 0.00 0.00 174.62 173.66 1ulp s ALA 66 N -0.16 3.58 -0.13 7.40 0.00 -0.99 -3.42 121.76 128.03 1ulp s ALA 66 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1ulp s ALA 66 Cb -0.25 -2.57 0.06 0.00 0.00 0.00 0.00 23.12 20.36 1ulp s ALA 66 CO -0.01 0.43 0.18 0.99 0.00 0.00 0.00 175.76 177.35 1ulp s THR 67 N -1.34 -0.27 -0.18 0.00 2.01 -0.89 -2.28 115.64 112.68 1ulp s THR 67 Ca 0.35 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1ulp s THR 67 Cb -0.17 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ulp s THR 67 CO 0.19 0.00 -0.02 0.00 -0.69 0.00 0.00 174.62 174.10 1ulp s ALA 68 N 2.30 2.99 0.59 7.40 0.00 -1.15 -1.87 121.76 132.02 1ulp s ALA 68 Ca 0.04 -0.93 0.31 0.00 0.00 0.00 0.00 51.96 51.38 1ulp s ALA 68 Cb -0.13 -1.67 1.24 0.00 0.00 0.00 0.00 23.12 22.55 1ulp s ALA 68 CO -0.08 -0.02 1.54 0.77 0.00 0.00 0.00 175.76 177.97 1ulp h SER 69 N 7.21 0.00 -1.56 0.00 0.02 -1.76 -3.09 113.55 114.37 1ulp h SER 69 Ca -0.34 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.08 1ulp h SER 69 Cb 1.18 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 1ulp h SER 69 CO 0.61 0.00 -0.44 0.28 -1.14 0.00 0.00 176.83 176.15 1ulp s THR 70 N -4.59 2.50 -0.51 -2.27 -1.32 -1.26 -4.08 115.64 104.11 1ulp s THR 70 Ca -0.04 -1.52 -0.05 0.00 -1.21 0.00 0.00 61.69 58.87 1ulp s THR 70 Cb 0.17 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 1ulp s THR 70 CO 0.58 -0.00 2.97 -0.67 -2.21 0.00 0.00 174.62 175.28 1ulp n ASP 71 N -1.39 6.47 -4.75 8.08 2.03 -1.26 -2.97 116.55 122.77 1ulp n ASP 71 Ca 0.01 -2.97 -0.41 0.00 0.52 0.00 0.00 54.79 51.94 1ulp n ASP 71 Cb 0.63 -1.32 -0.02 0.00 -0.72 0.00 0.00 41.12 39.69 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 -0.99 2.81 -0.71 5.18 0.11 -1.25 -4.68 120.40 120.87 1ulp s VAL 72 Ca 0.61 0.69 0.05 0.00 -2.93 0.00 0.00 61.98 60.40 1ulp s VAL 72 Cb 0.33 -3.44 0.17 0.00 -1.53 0.00 0.00 36.38 31.91 1ulp s VAL 72 CO -0.14 0.11 0.51 0.41 -3.33 0.00 0.00 175.10 172.66 1ulp n THR 73 N 2.27 1.69 -0.11 5.04 -1.04 -1.26 -1.58 114.28 119.28 1ulp n THR 73 Ca 0.06 -4.89 0.00 0.00 -2.04 0.00 0.00 64.05 57.18 1ulp n THR 73 Cb 0.41 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1ulp n THR 73 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1ulp n VAL 74 N 1.93 0.00 -4.34 12.58 0.24 -1.23 -4.89 118.33 122.63 1ulp n VAL 74 Ca 0.20 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.30 1ulp n VAL 74 Cb 0.35 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.59 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 2.31 0.92 0.00 7.34 0.52 -1.14 -3.70 118.95 125.19 1ulp s ARG 75 Ca 0.00 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1ulp s ARG 75 Cb 0.00 -0.92 0.01 0.00 0.52 0.00 0.00 34.95 34.56 1ulp s ARG 75 CO 0.00 0.23 0.19 0.00 0.02 0.00 0.00 175.30 175.73 1ulp s ALA 76 N -0.87 -0.45 0.00 2.13 0.00 -1.18 -1.04 121.76 120.35 1ulp s ALA 76 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1ulp s ALA 76 Cb -0.08 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1ulp s ALA 76 CO 0.01 -0.24 0.00 1.47 0.00 0.00 0.00 175.76 177.01 1ulp n LEU 77 N 1.33 0.00 -4.06 0.00 -0.00 -1.00 -3.13 117.00 110.13 1ulp n LEU 77 Ca -0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.69 1ulp n LEU 77 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 1ulp n LEU 77 CO 0.21 0.00 -0.06 -0.69 -0.00 0.00 0.00 177.39 176.85 1ulp s VAL 78 N -3.12 0.04 -0.01 1.47 1.01 -1.25 -2.26 120.40 116.28 1ulp s VAL 78 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 1ulp s VAL 78 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ulp s VAL 78 CO 0.00 -0.17 0.19 0.61 0.00 0.00 0.00 175.10 175.73 1ulp n GLY 79 N -0.25 0.49 3.12 4.51 0.00 -1.16 -3.30 105.19 108.61 1ulp n GLY 79 Ca -0.03 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1ulp n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulp s GLN 80 N -2.00 2.03 -0.66 1.61 2.00 -1.17 -2.01 119.66 119.46 1ulp s GLN 80 Ca 0.04 -1.71 -0.26 0.00 -2.00 0.00 0.00 55.36 51.44 1ulp s GLN 80 Cb -0.00 -3.46 -0.08 0.00 0.80 0.00 0.00 33.01 30.27 1ulp s GLN 80 CO -0.00 -0.96 2.26 -0.80 -0.50 0.00 0.00 175.29 175.28 1ulp s ASN 81 N 1.59 4.49 0.00 6.67 0.02 0.45 -4.05 114.94 124.11 1ulp s ASN 81 Ca 0.06 0.40 0.00 0.00 -1.02 0.00 0.00 52.86 52.30 1ulp s ASN 81 Cb -0.22 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.52 1ulp s ASN 81 CO -0.04 -3.10 0.00 0.61 0.02 0.00 0.00 177.10 174.59 1ulp n GLY 82 N 6.32 3.94 3.25 0.66 0.00 -1.26 -2.81 105.19 115.28 1ulp n GLY 82 Ca 0.38 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 0.02 -3.25 1.64 4.61 0.00 -1.26 -1.23 120.51 121.03 1ulp n ALA 83 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ulp n ALA 83 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.16 0.90 0.00 0.00 -0.04 -1.26 -4.83 135.00 130.94 1ulp n PRO 84 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 84 Cb 0.50 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1ulp n PRO 84 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ulp n TYR 85 N -0.40 -0.83 0.00 0.54 4.01 -0.36 -5.00 117.16 115.11 1ulp n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ulp n TYR 85 Cb 0.04 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.00 2.38 3.81 2.72 0.00 -1.26 -4.63 105.19 108.21 1ulp n GLY 86 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 4.79 0.00 2.61 -4.23 -1.26 -3.05 115.64 114.49 1ulp s THR 87 Ca 0.00 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1ulp s THR 87 Cb 0.00 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ulp s THR 87 CO 0.00 0.55 0.00 1.33 -0.54 0.00 0.00 174.62 175.96 1ulp n VAL 88 N 1.79 0.00 -5.22 2.29 0.24 -1.21 -4.76 118.33 111.46 1ulp n VAL 88 Ca -0.11 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.34 61.72 1ulp n VAL 88 Cb 0.51 0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.67 2.19 -0.43 1.34 1.02 -1.25 -4.86 118.68 114.02 1ulp s LEU 89 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.78 1ulp s LEU 89 Cb 0.00 -1.38 0.17 0.00 0.02 0.00 0.00 46.19 45.00 1ulp s LEU 89 CO 0.00 0.32 0.50 -0.62 0.02 0.00 0.00 176.35 176.57 1ulp s ASP 90 N -0.59 0.14 0.19 2.29 2.15 -1.26 -3.92 116.67 115.67 1ulp s ASP 90 Ca 0.09 -1.85 0.03 0.00 0.43 0.00 0.00 52.55 51.25 1ulp s ASP 90 Cb -0.10 0.90 -0.01 0.00 -0.30 0.00 0.00 42.92 43.40 1ulp s ASP 90 CO -0.00 -0.17 0.20 0.35 -0.17 0.00 0.00 175.17 175.38 1ulp n THR 91 N 3.60 0.00 -4.07 1.71 -2.24 -1.19 -5.09 114.28 107.01 1ulp n THR 91 Ca 0.17 -1.28 -0.32 0.00 -2.27 0.00 0.00 64.05 60.35 1ulp n THR 91 Cb 0.50 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.31 4.19 -0.84 3.42 0.01 -1.26 -3.08 113.70 113.82 1ulp s SER 92 Ca 0.21 -1.21 -0.25 0.00 1.31 0.00 0.00 55.95 56.01 1ulp s SER 92 Cb 0.01 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1ulp s SER 92 CO 0.15 -0.15 1.87 -2.16 0.41 0.00 0.00 173.24 173.36 1ulp s PRO 93 N 1.16 2.66 -0.06 12.44 0.04 -1.24 -4.93 135.00 145.07 1ulp s PRO 93 Ca -0.05 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 60.60 1ulp s PRO 93 Cb -0.18 -4.90 -0.03 0.00 0.04 0.00 0.00 34.50 29.42 1ulp s PRO 93 CO -0.06 -3.11 0.79 0.00 0.04 0.00 0.00 177.00 174.65 1ulp s ALA 94 N 9.37 3.30 0.45 8.56 0.00 -1.26 -3.50 121.76 138.68 1ulp s ALA 94 Ca 0.67 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1ulp s ALA 94 Cb -0.08 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1ulp s ALA 94 CO 0.04 -0.18 0.01 1.28 0.00 0.00 0.00 175.76 176.91 1ulp n LEU 95 N 3.93 0.00 0.00 0.00 4.32 -0.62 -4.96 117.00 119.67 1ulp n LEU 95 Ca 0.01 -2.82 0.04 0.00 -0.02 0.00 0.00 56.01 53.22 1ulp n LEU 95 Cb 0.51 0.30 0.01 0.00 -1.62 0.00 0.00 43.42 42.62 1ulp n LEU 95 CO 0.48 -0.41 1.04 1.07 -1.22 0.00 0.00 177.39 178.36 1ulp n THR 96 N -1.14 0.00 0.15 -5.08 5.66 -1.16 -3.92 114.28 108.79 1ulp n THR 96 Ca -0.18 -0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.88 1ulp n THR 96 Cb 0.57 0.43 0.31 0.00 -1.55 0.00 0.00 70.33 70.09 1ulp n THR 96 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ulp n SER 97 N -0.86 0.28 -4.96 1.09 2.88 -1.18 -2.94 113.62 107.92 1ulp n SER 97 Ca 0.06 0.62 -0.22 0.00 -1.33 0.00 0.00 58.87 58.00 1ulp n SER 97 Cb 0.50 -0.66 -0.02 0.00 -0.75 0.00 0.00 64.21 63.28 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -3.24 3.44 0.29 -1.46 0.41 -1.26 -4.97 118.70 111.91 1ulp s GLU 98 Ca 0.00 -0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 53.55 1ulp s GLU 98 Cb 0.04 -2.91 -0.10 0.00 -1.78 0.00 0.00 34.13 29.39 1ulp s GLU 98 CO 0.14 0.45 1.15 -1.25 -0.49 0.00 0.00 175.26 175.25 1ulp s PRO 99 N -3.81 4.57 -0.45 0.39 0.04 -1.26 -4.68 135.00 129.80 1ulp s PRO 99 Ca 0.34 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1ulp s PRO 99 Cb -0.09 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.41 1ulp s PRO 99 CO 0.29 0.11 0.18 0.50 0.04 0.00 0.00 177.00 178.12 1ulp s ARG 100 N -1.55 1.78 -0.89 4.56 3.52 -0.97 -5.00 118.95 120.41 1ulp s ARG 100 Ca 0.46 -2.32 -0.22 0.00 -0.13 0.00 0.00 55.73 53.52 1ulp s ARG 100 Cb -0.34 -3.28 0.08 0.00 -1.56 0.00 0.00 34.95 29.86 1ulp s ARG 100 CO 0.44 -1.04 1.22 -0.65 -0.81 0.00 0.00 175.30 174.46 1ulp s GLN 101 N 0.20 3.46 -0.03 5.12 -0.21 -1.26 -2.36 119.66 124.57 1ulp s GLN 101 Ca 0.15 -1.20 -0.20 0.00 0.02 0.00 0.00 55.36 54.12 1ulp s GLN 101 Cb -0.23 -4.85 -0.05 0.00 1.00 0.00 0.00 33.01 28.88 1ulp s GLN 101 CO -0.03 -1.97 0.59 0.08 -2.12 0.00 0.00 175.29 171.83 1ulp s VAL 102 N 4.06 4.98 -0.15 1.09 1.01 -0.24 -4.92 120.40 126.22 1ulp s VAL 102 Ca 0.35 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 1ulp s VAL 102 Cb -0.06 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1ulp s VAL 102 CO -0.03 0.38 0.37 -0.89 0.00 0.00 0.00 175.10 174.93 1ulp s THR 103 N 0.06 -0.03 -0.26 3.92 2.01 -1.25 -2.16 115.64 117.93 1ulp s THR 103 Ca 0.31 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.18 1ulp s THR 103 Cb -0.18 -0.56 0.07 0.00 0.01 0.00 0.00 72.50 71.84 1ulp s THR 103 CO 0.16 0.04 0.69 -1.61 -0.69 0.00 0.00 174.62 173.21 1ulp s GLU 104 N 1.34 0.80 -0.48 4.92 2.02 -1.11 -4.99 118.70 121.20 1ulp s GLU 104 Ca -0.09 0.97 -0.19 0.00 0.02 0.00 0.00 54.97 55.68 1ulp s GLU 104 Cb -0.09 0.38 0.05 0.00 0.10 0.00 0.00 34.13 34.57 1ulp s GLU 104 CO -0.12 -0.10 0.58 0.99 0.02 0.00 0.00 175.26 176.64 1ulp s THR 105 N 0.44 4.92 0.22 3.63 2.01 -1.26 -2.17 115.64 123.44 1ulp s THR 105 Ca -0.01 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.64 1ulp s THR 105 Cb -0.05 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1ulp s THR 105 CO -0.00 -0.71 -0.04 0.72 -0.69 0.00 0.00 174.62 173.90 1ulp s PHE 106 N 2.51 2.69 -0.92 4.92 -0.12 -0.90 -4.86 117.98 121.31 1ulp s PHE 106 Ca 0.15 -0.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.63 1ulp s PHE 106 Cb -0.19 -1.25 0.13 0.00 -0.63 0.00 0.00 43.02 41.08 1ulp s PHE 106 CO 0.13 0.57 1.11 0.99 -0.05 0.00 0.00 175.22 177.96 1ulp s THR 107 N -2.02 4.76 -0.61 -4.49 2.01 -1.26 -1.00 115.64 113.04 1ulp s THR 107 Ca 0.28 -1.60 -0.35 0.00 0.31 0.00 0.00 61.69 60.34 1ulp s THR 107 Cb -0.08 -4.76 -0.16 0.00 0.01 0.00 0.00 72.50 67.51 1ulp s THR 107 CO 0.18 -1.48 2.37 0.00 -0.69 0.00 0.00 174.62 175.00 1ulp n ALA 108 N 6.45 0.57 -1.62 7.40 0.00 0.23 -4.55 120.51 128.98 1ulp n ALA 108 Ca 0.23 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1ulp n ALA 108 Cb 0.49 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 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 10.29 6.79 0.00 0.00 3.41 -1.26 -1.22 113.62 131.64 1ulp n SER 109 Ca 0.52 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1ulp n SER 109 Cb 0.14 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 0.80 0.00 -3.55 7.33 0.00 -0.90 -4.77 120.51 119.43 1ulp n ALA 110 Ca 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1ulp n ALA 110 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.00 -0.32 -0.74 0.00 2.01 -1.26 0.17 115.64 113.50 1ulp s THR 111 Ca 0.00 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1ulp s THR 111 Cb 0.00 -0.57 0.19 0.00 0.01 0.00 0.00 72.50 72.13 1ulp s THR 111 CO 0.00 -0.09 0.59 -0.31 -0.69 0.00 0.00 174.62 174.12 1ulp s TYR 112 N 2.33 3.61 0.30 4.92 2.02 -0.09 -4.49 117.35 125.95 1ulp s TYR 112 Ca 0.05 -2.81 -0.29 0.00 -0.37 0.00 0.00 57.07 53.65 1ulp s TYR 112 Cb -0.14 -3.24 -0.10 0.00 -0.40 0.00 0.00 41.96 38.08 1ulp s TYR 112 CO -0.10 -0.80 1.15 -1.25 -1.57 0.00 0.00 175.55 172.98 1ulp s PRO 113 N -0.59 4.55 -0.97 -1.71 0.04 -1.26 -1.60 135.00 133.46 1ulp s PRO 113 Ca 0.21 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 1ulp s PRO 113 Cb -0.14 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1ulp s PRO 113 CO -0.07 0.09 2.86 0.00 0.04 0.00 0.00 177.00 179.92 1ulp n ALA 114 N 1.05 6.86 -3.69 8.56 0.00 -1.18 -3.00 120.51 129.11 1ulp n ALA 114 Ca -0.01 -3.29 -0.29 0.00 0.00 0.00 0.00 53.44 49.86 1ulp n ALA 114 Cb 0.44 -2.71 -0.15 0.00 0.00 0.00 0.00 19.45 17.02 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 -0.09 0.57 -0.05 0.00 2.01 -1.25 -4.88 115.64 111.95 1ulp s THR 115 Ca 0.62 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1ulp s THR 115 Cb 0.25 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1ulp s THR 115 CO -0.10 -0.57 2.46 -0.81 -0.69 0.00 0.00 174.62 174.92 1ulp n PRO 116 N 4.99 1.40 -3.98 4.92 -0.04 -1.26 -3.81 135.00 137.23 1ulp n PRO 116 Ca -0.05 -0.51 -0.24 0.00 -0.04 0.00 0.00 63.50 62.66 1ulp n PRO 116 Cb 0.43 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 117 N 0.02 3.89 0.08 0.55 0.00 -0.23 -5.00 121.76 121.08 1ulp s ALA 117 Ca 0.23 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1ulp s ALA 117 Cb 0.12 -1.69 -0.16 0.00 0.00 0.00 0.00 23.12 21.39 1ulp s ALA 117 CO -0.01 0.40 1.66 0.00 0.00 0.00 0.00 175.76 177.81 1ulp h ALA 118 N 1.75 -0.59 0.00 0.00 0.00 -1.98 -1.36 119.26 117.08 1ulp h ALA 118 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ulp h ALA 118 Cb 1.21 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1ulp h ALA 118 CO 0.65 -0.84 0.00 -3.47 0.00 0.00 0.00 179.25 175.59 1ulp n ASP 119 N -5.36 0.00 -3.64 0.00 2.03 -1.26 -4.42 116.55 103.90 1ulp n ASP 119 Ca -0.11 -0.15 -0.28 0.00 0.52 0.00 0.00 54.79 54.78 1ulp n ASP 119 Cb 0.27 -0.21 -0.16 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.42 2.98 0.74 1.67 1.01 -0.51 -5.13 116.67 115.00 1ulp s ASP 120 Ca 0.21 -0.95 0.00 0.00 0.71 0.00 0.00 52.55 52.52 1ulp s ASP 120 Cb 0.13 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.62 1ulp s ASP 120 CO 0.28 -0.37 0.00 -0.81 0.21 0.00 0.00 175.17 174.48 1ulp n PRO 121 N 5.16 -0.23 -3.57 8.23 -0.04 -1.24 -1.06 135.00 142.25 1ulp n PRO 121 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 1ulp n PRO 121 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 1ulp n PRO 121 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1ulp s GLU 122 N -2.22 0.69 0.26 0.54 1.03 -1.12 -3.79 118.70 114.08 1ulp s GLU 122 Ca 0.00 0.19 -0.11 0.00 0.03 0.00 0.00 54.97 55.09 1ulp s GLU 122 Cb 0.00 0.33 -0.07 0.00 -0.80 0.00 0.00 34.13 33.58 1ulp s GLU 122 CO 0.00 -0.21 0.61 0.20 -1.33 0.00 0.00 175.26 174.53 1ulp s GLY 123 N -1.06 2.25 0.00 -3.83 0.00 -1.16 -0.41 107.32 103.10 1ulp s GLY 123 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1ulp s GLY 123 CO 0.03 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1ulp n GLN 124 N -0.30 0.00 -5.07 2.90 -0.00 -0.85 -2.69 117.38 111.37 1ulp n GLN 124 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.70 1ulp n GLN 124 Cb 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 30.24 30.62 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 -1.58 2.35 -0.17 -0.39 1.01 -1.13 -2.98 121.20 118.31 1ulp s ILE 125 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1ulp s ILE 125 Cb 0.00 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1ulp s ILE 125 CO 0.00 0.51 -0.17 0.00 0.00 0.00 0.00 174.94 175.28 1ulp s ALA 126 N -0.71 2.44 -0.34 9.38 0.00 -0.96 -3.01 121.76 128.56 1ulp s ALA 126 Ca 0.11 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1ulp s ALA 126 Cb -0.10 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.88 1ulp s ALA 126 CO 0.01 -0.19 0.05 -0.06 0.00 0.00 0.00 175.76 175.57 1ulp s PHE 127 N 1.06 3.67 -1.06 0.00 0.40 -0.68 -2.38 117.98 118.98 1ulp s PHE 127 Ca -0.01 -2.80 -0.17 0.00 -0.60 0.00 0.00 56.93 53.36 1ulp s PHE 127 Cb -0.14 -2.83 0.15 0.00 0.51 0.00 0.00 43.02 40.70 1ulp s PHE 127 CO -0.05 -0.94 1.28 -0.65 0.70 0.00 0.00 175.22 175.56 1ulp s GLN 128 N 0.97 3.83 -0.55 0.44 1.11 -0.21 -0.72 119.66 124.54 1ulp s GLN 128 Ca 0.08 -2.12 -0.03 0.00 0.01 0.00 0.00 55.36 53.30 1ulp s GLN 128 Cb -0.20 -5.01 0.17 0.00 -1.01 0.00 0.00 33.01 26.97 1ulp s GLN 128 CO -0.07 -1.79 2.47 1.28 0.01 0.00 0.00 175.29 177.19 1ulp n LEU 129 N 6.24 6.81 -4.59 2.90 4.77 0.49 -2.88 117.00 130.74 1ulp n LEU 129 Ca 0.30 -4.18 -0.34 0.00 -0.03 0.00 0.00 56.01 51.76 1ulp n LEU 129 Cb 0.46 -1.16 -0.11 0.00 -2.33 0.00 0.00 43.42 40.29 1ulp n LEU 129 CO 0.57 1.67 -0.34 -0.83 -1.33 0.00 0.00 177.39 177.12 1ulp s GLY 130 N -0.15 1.77 -1.32 -0.72 0.00 -1.00 -2.35 107.32 103.56 1ulp s GLY 130 Ca 0.55 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 1ulp s GLY 130 CO -0.23 -0.37 0.34 0.61 0.00 0.00 0.00 173.10 173.45 1ulp n GLY 131 N 2.76 -0.47 0.97 0.20 0.00 -1.14 -4.84 105.19 102.66 1ulp n GLY 131 Ca -0.18 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.70 0.00 -2.40 1.61 3.72 -1.26 -5.04 117.46 109.39 1ulp n PHE 132 Ca -0.21 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.95 1ulp n PHE 132 Cb 0.60 -0.05 0.14 0.00 -0.94 0.00 0.00 39.48 39.24 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 -3.48 0.98 0.00 4.37 2.88 -1.26 -4.76 113.62 112.35 1ulp n SER 133 Ca -0.02 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1ulp n SER 133 Cb 0.14 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 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 -3.19 0.09 -1.34 -1.46 0.00 -1.26 -3.79 120.51 109.56 1ulp n ALA 134 Ca -0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1ulp n ALA 134 Cb 0.59 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.23 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s ASP 135 N -2.72 2.20 0.06 0.00 1.01 -1.26 0.25 116.67 116.22 1ulp s ASP 135 Ca 0.00 0.76 -0.31 0.00 0.71 0.00 0.00 52.55 53.71 1ulp s ASP 135 Cb 0.00 -1.13 -0.07 0.00 1.01 0.00 0.00 42.92 42.73 1ulp s ASP 135 CO 0.00 -3.35 1.37 0.00 0.21 0.00 0.00 175.17 173.41 1ulp s ALA 136 N -3.20 3.56 0.00 5.23 0.00 -1.26 -1.83 121.76 124.26 1ulp s ALA 136 Ca 0.69 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1ulp s ALA 136 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1ulp s ALA 136 CO 0.55 -0.72 0.00 -2.67 0.00 0.00 0.00 175.76 172.92 1ulp n TRP 137 N 4.56 0.00 -3.69 0.00 2.14 -0.74 -4.86 117.44 114.85 1ulp n TRP 137 Ca 0.12 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.60 1ulp n TRP 137 Cb 0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.91 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 -0.50 0.00 -0.10 -1.67 2.01 -1.26 -0.75 115.64 113.37 1ulp s THR 138 Ca 0.00 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1ulp s THR 138 Cb 0.00 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1ulp s THR 138 CO 0.00 0.00 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.00 1ulp s LEU 139 N -2.85 1.84 -0.39 4.42 1.02 -1.13 -3.83 118.68 117.75 1ulp s LEU 139 Ca 0.07 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1ulp s LEU 139 Cb -0.04 -1.15 0.11 0.00 0.02 0.00 0.00 46.19 45.13 1ulp s LEU 139 CO -0.01 0.06 0.15 0.00 0.02 0.00 0.00 176.35 176.57 1ulp n LEU 141 N 4.02 0.00 0.00 0.00 4.77 -0.98 -2.10 117.00 122.71 1ulp n LEU 141 Ca 0.04 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1ulp n LEU 141 Cb 0.38 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ulp n LEU 141 CO 0.22 -0.96 0.00 -0.90 -1.33 0.00 0.00 177.39 174.42 1ulp n ASP 142 N -3.08 0.00 0.00 -1.43 5.68 -1.22 -1.71 116.55 114.79 1ulp n ASP 142 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1ulp n ASP 142 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 143 N 0.00 0.00 -4.67 -1.12 2.03 -1.13 -4.16 116.55 107.50 1ulp n ASP 143 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ulp s VAL 144 N 0.00 5.04 0.01 5.18 1.01 0.49 -2.08 120.40 130.05 1ulp s VAL 144 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 1ulp s VAL 144 Cb 0.00 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1ulp s VAL 144 CO 0.00 0.15 0.61 0.00 0.00 0.00 0.00 175.10 175.85 1ulp s ALA 145 N 1.67 -1.58 0.03 5.51 0.00 -1.02 -2.95 121.76 123.42 1ulp s ALA 145 Ca 0.29 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1ulp s ALA 145 Cb -0.16 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1ulp s ALA 145 CO 0.11 -0.46 0.31 -1.17 0.00 0.00 0.00 175.76 174.55 1ulp s LEU 146 N -1.63 0.86 -0.25 0.00 2.96 -1.26 -2.94 118.68 116.42 1ulp s LEU 146 Ca -0.08 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 53.42 1ulp s LEU 146 Cb -0.01 1.34 0.17 0.00 0.50 0.00 0.00 46.19 48.19 1ulp s LEU 146 CO 0.03 -0.56 1.27 -0.62 -1.32 0.00 0.00 176.35 175.15 1ulp s ASP 147 N -1.83 -0.11 -0.10 3.68 2.15 -1.26 -4.95 116.67 114.24 1ulp s ASP 147 Ca -0.08 0.09 -0.18 0.00 0.43 0.00 0.00 52.55 52.82 1ulp s ASP 147 Cb -0.02 0.10 -0.04 0.00 -0.30 0.00 0.00 42.92 42.65 1ulp s ASP 147 CO -0.01 -0.12 0.48 -0.94 -0.17 0.00 0.00 175.17 174.41 1ulp s SER 148 N -1.31 6.71 0.41 -0.34 1.04 -1.25 -3.18 113.70 115.78 1ulp s SER 148 Ca 0.07 0.85 -0.27 0.00 0.48 0.00 0.00 55.95 57.09 1ulp s SER 148 Cb -0.01 -2.29 -0.10 0.00 0.10 0.00 0.00 66.02 63.72 1ulp s SER 148 CO -0.05 0.03 1.45 -1.61 0.98 0.00 0.00 173.24 174.04 1ulp s GLU 149 N 0.46 3.91 -0.82 4.02 2.02 -1.25 -4.94 118.70 122.10 1ulp s GLU 149 Ca 0.26 2.49 0.02 0.00 0.02 0.00 0.00 54.97 57.76 1ulp s GLU 149 Cb -0.15 -2.82 0.29 0.00 0.10 0.00 0.00 34.13 31.54 1ulp s GLU 149 CO 0.11 -0.66 1.13 1.33 0.02 0.00 0.00 175.26 177.19 1ulp n VAL 150 N 0.15 3.85 -3.04 2.63 0.24 -1.26 -4.93 118.33 115.97 1ulp n VAL 150 Ca 0.03 -5.59 0.00 0.00 -2.04 0.00 0.00 64.34 56.73 1ulp n VAL 150 Cb 0.40 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.84 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 0.74 0.00 0.00 7.34 2.13 -1.26 -5.31 120.64 124.29 1ulp n GLU 151 Ca 0.31 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.27 1ulp n GLU 151 Cb 0.37 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.59 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00