#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1roe s THR 2 N 0.00 0.04 0.42 0.00 2.01 -1.26 -3.71 115.64 113.15 1roe s THR 2 Ca 0.00 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.10 1roe s THR 2 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1roe s THR 2 CO 0.00 -0.19 0.26 -0.31 -0.69 0.00 0.00 174.62 173.69 1roe s TYR 3 N -3.90 2.58 -0.03 4.92 2.02 0.01 -4.84 117.35 118.12 1roe s TYR 3 Ca 0.11 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.18 1roe s TYR 3 Cb 0.01 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1roe s TYR 3 CO -0.03 0.04 0.14 0.21 -1.57 0.00 0.00 175.55 174.34 1roe s LYS 4 N -4.01 0.30 0.23 -0.62 2.36 -1.23 -2.65 119.74 114.11 1roe s LYS 4 Ca 0.43 -0.04 -0.03 0.00 -2.55 0.00 0.00 55.97 53.78 1roe s LYS 4 Cb 0.01 0.13 -0.03 0.00 -1.05 0.00 0.00 37.83 36.89 1roe s LYS 4 CO 0.24 -0.06 0.23 0.14 1.55 0.00 0.00 175.35 177.45 1roe s VAL 5 N -0.53 0.00 -0.07 4.02 -7.23 0.75 -1.21 120.40 116.13 1roe s VAL 5 Ca -0.06 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1roe s VAL 5 Cb -0.04 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.49 1roe s VAL 5 CO 0.01 0.00 0.11 -0.89 -0.31 0.00 0.00 175.10 174.01 1roe s THR 6 N -4.02 -0.17 0.00 5.32 2.01 0.19 -2.29 115.64 116.68 1roe s THR 6 Ca 0.36 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1roe s THR 6 Cb 0.05 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1roe s THR 6 CO 0.13 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 1roe n LEU 7 N 5.31 0.00 0.00 4.42 -0.00 -0.12 0.18 117.00 126.79 1roe n LEU 7 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1roe n LEU 7 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1roe n LEU 7 CO 0.06 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.78 1roe n VAL 8 N 0.00 0.00 0.00 1.47 0.24 0.26 -0.56 118.33 119.74 1roe n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1roe n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1roe n VAL 8 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1roe n ARG 9 N 0.00 0.00 -0.10 7.34 1.74 -1.20 -1.65 116.66 122.78 1roe n ARG 9 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1roe n ARG 9 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1roe n ARG 9 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1roe n PRO 10 N -1.98 0.54 0.00 5.56 -0.04 -1.26 -0.67 135.00 137.15 1roe n PRO 10 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1roe n PRO 10 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1roe n PRO 10 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1roe n ASP 11 N -4.42 0.00 -0.10 3.54 -0.08 -1.26 -4.93 116.55 109.29 1roe n ASP 11 Ca -0.29 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 1roe n ASP 11 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1roe n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1roe n GLY 12 N 0.00 0.67 3.89 0.27 0.00 -1.26 -5.11 105.19 103.66 1roe n GLY 12 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1roe n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1roe s SER 13 N -0.02 6.37 -0.18 1.61 1.04 -1.26 -4.95 113.70 116.31 1roe s SER 13 Ca 0.00 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 1roe s SER 13 Cb 0.00 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1roe s SER 13 CO 0.00 -0.49 0.47 -1.83 0.98 0.00 0.00 173.24 172.37 1roe s GLU 14 N -4.35 0.51 0.00 4.02 4.04 -1.26 -3.24 118.70 118.43 1roe s GLU 14 Ca 0.49 0.73 0.00 0.00 0.04 0.00 0.00 54.97 56.23 1roe s GLU 14 Cb -0.10 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.22 1roe s GLU 14 CO 0.39 -0.10 0.00 0.25 -1.84 0.00 0.00 175.26 173.96 1roe n THR 15 N 3.35 0.00 -3.51 1.83 -2.24 0.28 -4.90 114.28 109.10 1roe n THR 15 Ca -0.17 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1roe n THR 15 Cb 0.56 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1roe n THR 15 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1roe s THR 16 N -1.42 0.00 0.26 4.28 -1.32 -1.25 -0.94 115.64 115.25 1roe s THR 16 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1roe s THR 16 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1roe s THR 16 CO 0.00 0.00 0.17 2.30 -2.21 0.00 0.00 174.62 174.88 1roe n ILE 17 N 0.65 0.00 -3.84 5.08 -5.35 -0.97 -4.78 119.36 110.15 1roe n ILE 17 Ca -0.18 -1.78 -0.11 0.00 -0.27 0.00 0.00 62.75 60.41 1roe n ILE 17 Cb 0.59 0.80 -0.09 0.00 -1.74 0.00 0.00 39.64 39.19 1roe n ILE 17 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1roe s ASP 18 N -2.76 -0.02 -0.00 7.28 -4.77 -1.26 -0.18 116.67 114.96 1roe s ASP 18 Ca 0.24 -0.19 -0.00 0.00 -3.30 0.00 0.00 52.55 49.30 1roe s ASP 18 Cb 0.01 0.25 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 1roe s ASP 18 CO 0.17 -0.44 0.01 -0.69 0.70 0.00 0.00 175.17 174.92 1roe s VAL 19 N -1.72 -0.00 -2.00 2.11 1.01 -1.09 -4.79 120.40 113.93 1roe s VAL 19 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1roe s VAL 19 Cb -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 36.38 36.33 1roe s VAL 19 CO 0.01 0.00 0.31 -0.81 0.00 0.00 0.00 175.10 174.61 1roe n PRO 20 N 3.08 0.22 -0.78 2.72 -0.04 -1.26 -0.81 135.00 138.13 1roe n PRO 20 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1roe n PRO 20 Cb 0.60 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1roe n PRO 20 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1roe n GLU 21 N -0.57 -0.14 -2.84 0.54 2.13 -1.24 -4.68 120.64 113.84 1roe n GLU 21 Ca 0.01 0.04 -0.11 0.00 0.66 0.00 0.00 57.16 57.75 1roe n GLU 21 Cb 0.00 -3.58 0.05 0.00 0.27 0.00 0.00 31.44 28.19 1roe n GLU 21 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1roe n ASP 22 N -0.07 -1.82 0.00 4.31 5.68 -1.26 -4.83 116.55 118.56 1roe n ASP 22 Ca 0.00 -3.44 0.00 0.00 -0.50 0.00 0.00 54.79 50.85 1roe n ASP 22 Cb 0.04 1.35 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 1roe n ASP 22 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1roe n GLU 23 N 0.72 0.00 -3.87 0.11 0.28 -1.26 -5.12 120.64 111.49 1roe n GLU 23 Ca 0.11 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.01 1roe n GLU 23 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 1roe n GLU 23 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1roe s TYR 24 N 2.32 0.27 -0.19 -1.84 2.02 -1.26 -4.52 117.35 114.16 1roe s TYR 24 Ca 0.00 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1roe s TYR 24 Cb 0.00 0.63 0.01 0.00 -0.40 0.00 0.00 41.96 42.19 1roe s TYR 24 CO 0.00 -1.43 0.92 0.44 -1.57 0.00 0.00 175.55 173.90 1roe n ILE 25 N -0.52 0.83 0.65 2.71 -5.35 -1.20 -3.55 119.36 112.93 1roe n ILE 25 Ca -0.06 -0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1roe n ILE 25 Cb 0.60 -0.90 0.28 0.00 -1.74 0.00 0.00 39.64 37.88 1roe n ILE 25 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1roe n LEU 26 N 0.40 0.68 0.20 7.28 4.32 -1.26 0.12 117.00 128.73 1roe n LEU 26 Ca 0.00 0.34 0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1roe n LEU 26 Cb 0.46 -0.25 0.42 0.00 -1.62 0.00 0.00 43.42 42.43 1roe n LEU 26 CO 0.01 -0.08 0.75 -0.78 -1.22 0.00 0.00 177.39 176.06 1roe h ASP 27 N 0.00 0.00 0.78 -1.43 3.58 -1.89 0.19 116.42 117.65 1roe h ASP 27 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1roe h ASP 27 Cb 0.71 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1roe h ASP 27 CO 0.00 0.33 -1.33 -0.37 -2.88 0.00 0.00 179.24 175.00 1roe h VAL 28 N 0.00 0.73 -0.39 2.25 -1.51 -1.51 -2.72 116.25 113.10 1roe h VAL 28 Ca -0.00 -2.31 0.11 0.00 -1.23 0.00 0.00 66.70 63.27 1roe h VAL 28 Cb 0.71 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 32.09 1roe h VAL 28 CO 0.04 0.41 0.75 0.00 -1.23 0.00 0.00 177.57 177.55 1roe h ALA 29 N 1.30 2.14 -0.62 5.19 0.00 0.30 2.99 119.26 130.55 1roe h ALA 29 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1roe h ALA 29 Cb 1.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1roe h ALA 29 CO 0.06 -0.96 0.00 0.39 0.00 0.00 0.00 179.25 178.75 1roe n GLU 30 N -3.12 0.00 -0.28 0.00 -0.58 -1.08 0.16 120.64 115.74 1roe n GLU 30 Ca 0.08 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 57.06 1roe n GLU 30 Cb 0.90 -0.30 0.57 0.00 -0.57 0.00 0.00 31.44 32.04 1roe n GLU 30 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1roe h GLU 31 N 0.00 0.28 0.16 3.49 4.11 -1.31 1.75 114.58 123.06 1roe h GLU 31 Ca 0.00 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.07 1roe h GLU 31 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1roe h GLU 31 CO 0.00 0.19 -1.73 0.37 0.07 0.00 0.00 179.01 177.91 1roe h GLN 32 N 0.29 0.34 -0.76 1.06 5.75 0.47 -3.49 115.11 118.77 1roe h GLN 32 Ca 0.53 -0.57 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1roe h GLN 32 Cb 1.54 0.21 0.00 0.00 1.07 0.00 0.00 27.48 30.30 1roe h GLN 32 CO -0.18 1.24 -0.02 0.41 -2.65 0.00 0.00 178.83 177.62 1roe n GLY 33 N 1.82 0.70 0.00 2.39 0.00 0.60 -4.89 105.19 105.81 1roe n GLY 33 Ca -0.23 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1roe n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1roe n LEU 34 N -0.44 0.00 -0.79 0.99 4.77 0.43 -4.49 117.00 117.48 1roe n LEU 34 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1roe n LEU 34 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1roe n LEU 34 CO 0.02 0.00 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.35 1roe n ASP 35 N 0.00 -2.83 -0.08 -1.43 2.03 -1.26 -4.74 116.55 108.24 1roe n ASP 35 Ca 0.00 0.16 -0.22 0.00 0.52 0.00 0.00 54.79 55.24 1roe n ASP 35 Cb 0.00 -2.40 -0.12 0.00 -0.72 0.00 0.00 41.12 37.88 1roe n ASP 35 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1roe n LEU 36 N -1.02 2.14 -4.77 -2.67 4.77 -1.26 -4.91 117.00 109.29 1roe n LEU 36 Ca -0.06 0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1roe n LEU 36 Cb 0.30 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 1roe n LEU 36 CO 0.10 0.50 0.58 -2.16 -1.33 0.00 0.00 177.39 175.08 1roe s PRO 37 N -2.44 4.67 -0.56 3.23 0.04 -1.26 -5.01 135.00 133.66 1roe s PRO 37 Ca -0.28 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 1roe s PRO 37 Cb 0.07 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.51 1roe s PRO 37 CO 0.63 0.48 0.86 -0.06 0.04 0.00 0.00 177.00 178.95 1roe s PHE 38 N -1.27 2.84 0.00 0.56 0.08 -1.26 -4.93 117.98 113.99 1roe s PHE 38 Ca 0.41 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.16 1roe s PHE 38 Cb -0.23 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 1roe s PHE 38 CO 0.28 -1.33 0.00 0.45 -0.10 0.00 0.00 175.22 174.52 1roe n SER 39 N 7.14 0.00 -0.11 1.36 2.88 -1.26 -5.01 113.62 118.62 1roe n SER 39 Ca -0.02 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 1roe n SER 39 Cb 0.46 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1roe n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1roe n ARG 41 N -3.50 -1.37 0.00 0.00 0.00 -1.26 -4.61 116.66 105.93 1roe n ARG 41 Ca -0.40 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1roe n ARG 41 Cb 0.86 -4.77 0.00 0.00 0.00 0.00 0.00 32.46 28.55 1roe n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1roe n ALA 42 N -0.24 1.20 -1.09 5.13 0.00 -1.26 -5.02 120.51 119.22 1roe n ALA 42 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1roe n ALA 42 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1roe n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1roe n GLY 43 N 0.36 0.68 2.74 0.00 0.00 -1.26 -5.02 105.19 102.68 1roe n GLY 43 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1roe n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1roe n ALA 44 N -0.80 2.65 -3.63 4.61 0.00 -1.26 -5.04 120.51 117.04 1roe n ALA 44 Ca 0.00 -2.12 -0.00 0.00 0.00 0.00 0.00 53.44 51.32 1roe n ALA 44 Cb 0.25 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1roe n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1roe n SER 46 N -0.43 0.82 0.18 0.00 3.41 -1.26 -4.24 113.62 112.09 1roe n SER 46 Ca -0.07 -2.09 0.06 0.00 -0.26 0.00 0.00 58.87 56.51 1roe n SER 46 Cb 0.62 -0.29 0.21 0.00 -0.26 0.00 0.00 64.21 64.49 1roe n SER 46 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1roe h THR 47 N 6.67 0.66 -0.39 6.66 1.35 -1.90 -2.99 112.91 122.97 1roe h THR 47 Ca -0.16 -1.67 -0.12 0.00 -0.55 0.00 0.00 66.41 63.91 1roe h THR 47 Cb 1.74 2.13 -0.07 0.00 -1.73 0.00 0.00 68.15 70.21 1roe h THR 47 CO 0.07 0.34 0.15 0.00 -0.25 0.00 0.00 175.52 175.83 1roe n ALA 49 N 0.03 0.00 0.00 0.00 0.00 -1.13 -4.38 120.51 115.02 1roe n ALA 49 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1roe n ALA 49 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1roe n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1roe n GLY 50 N 5.00 0.84 0.00 0.00 0.00 -1.20 -4.56 105.19 105.27 1roe n GLY 50 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1roe n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1roe n LYS 51 N 1.41 0.00 -1.83 1.61 5.02 1.07 -4.37 118.16 121.07 1roe n LYS 51 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1roe n LYS 51 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1roe n LYS 51 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1roe n LEU 52 N 0.00 0.00 -0.06 -0.35 -0.00 -1.25 -1.26 117.00 114.08 1roe n LEU 52 Ca 0.00 -0.38 -0.21 0.00 -0.00 0.00 0.00 56.01 55.43 1roe n LEU 52 Cb 0.00 0.36 -0.13 0.00 -0.00 0.00 0.00 43.42 43.65 1roe n LEU 52 CO 0.00 -0.09 -1.02 0.00 -0.00 0.00 0.00 177.39 176.28 1roe n LEU 53 N 0.00 2.66 0.00 1.47 -0.00 -1.04 -2.73 117.00 117.35 1roe n LEU 53 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1roe n LEU 53 Cb 0.08 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1roe n LEU 53 CO 0.04 0.82 0.00 -1.84 -0.00 0.00 0.00 177.39 176.41 1roe n GLU 54 N -3.53 0.00 0.00 1.47 0.28 -1.25 -4.02 120.64 113.59 1roe n GLU 54 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 1roe n GLU 54 Cb 0.99 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.86 1roe n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1roe n GLY 55 N 0.00 0.00 0.00 -1.84 0.00 -1.23 -4.79 105.19 97.33 1roe n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1roe n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1roe n GLU 56 N 0.00 0.00 -2.09 1.61 4.07 -1.24 -1.38 120.64 121.61 1roe n GLU 56 Ca 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.95 1roe n GLU 56 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 1roe n GLU 56 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1roe n VAL 57 N -0.76 0.00 -4.14 6.31 0.24 -1.25 0.83 118.33 119.56 1roe n VAL 57 Ca 0.00 -1.16 -0.09 0.00 -2.04 0.00 0.00 64.34 61.05 1roe n VAL 57 Cb 0.00 -0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 31.35 1roe n VAL 57 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1roe s ASP 58 N -3.70 0.86 -0.10 -1.34 2.15 0.63 -4.58 116.67 110.59 1roe s ASP 58 Ca 0.44 -1.01 0.17 0.00 0.43 0.00 0.00 52.55 52.58 1roe s ASP 58 Cb -0.03 0.14 0.38 0.00 -0.30 0.00 0.00 42.92 43.12 1roe s ASP 58 CO 0.29 -0.53 1.18 0.00 -0.17 0.00 0.00 175.17 175.94 1roe n GLN 59 N 0.01 0.81 -1.06 4.34 10.64 -1.26 -2.34 117.38 128.52 1roe n GLN 59 Ca -0.13 -2.56 -0.02 0.00 -1.83 0.00 0.00 57.00 52.46 1roe n GLN 59 Cb 0.61 -0.88 -0.01 0.00 -0.86 0.00 0.00 30.24 29.10 1roe n GLN 59 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1roe n SER 60 N -0.41 -4.89 -1.09 2.61 7.64 -1.26 -4.65 113.62 111.56 1roe n SER 60 Ca 0.12 0.05 0.03 0.00 1.01 0.00 0.00 58.87 60.09 1roe n SER 60 Cb 0.87 -2.57 -0.02 0.00 -1.01 0.00 0.00 64.21 61.48 1roe n SER 60 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1roe n ASP 61 N -0.57 -5.89 0.13 6.43 9.92 -1.26 -5.03 116.55 120.27 1roe n ASP 61 Ca -0.02 1.26 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 1roe n ASP 61 Cb 0.34 -3.38 0.00 0.00 -0.64 0.00 0.00 41.12 37.44 1roe n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1roe n GLN 62 N -2.66 0.00 0.00 -1.24 6.02 -1.26 -5.11 117.38 113.12 1roe n GLN 62 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1roe n GLN 62 Cb 0.38 -0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.64 1roe n GLN 62 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1roe n SER 63 N -3.38 0.00 -0.00 1.08 2.88 -1.26 -4.94 113.62 108.00 1roe n SER 63 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1roe n SER 63 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1roe n SER 63 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1roe n PHE 64 N 0.00 0.00 -3.04 0.66 7.35 -1.26 -4.91 117.46 116.26 1roe n PHE 64 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1roe n PHE 64 Cb 0.00 -0.12 -0.06 0.00 0.35 0.00 0.00 39.48 39.66 1roe n PHE 64 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1roe s LEU 65 N -3.12 4.07 0.00 -2.13 1.02 -1.26 -4.87 118.68 112.38 1roe s LEU 65 Ca 0.01 0.80 0.00 0.00 0.02 0.00 0.00 54.13 54.96 1roe s LEU 65 Cb 0.10 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.34 1roe s LEU 65 CO 0.57 -0.43 0.00 0.47 0.02 0.00 0.00 176.35 176.98 1roe n ASP 66 N 5.83 0.00 0.22 2.29 9.92 -1.26 -4.33 116.55 129.22 1roe n ASP 66 Ca 0.01 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.37 1roe n ASP 66 Cb 0.48 0.00 0.50 0.00 -0.64 0.00 0.00 41.12 41.47 1roe n ASP 66 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1roe h ASP 67 N 0.00 0.00 0.61 -2.24 1.82 -1.95 -2.77 116.42 111.89 1roe h ASP 67 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1roe h ASP 67 Cb 0.00 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.02 1roe h ASP 67 CO 0.00 0.24 -0.29 -0.78 -1.61 0.00 0.00 179.24 176.80 1roe h ASP 68 N 0.00 -0.69 -0.93 2.28 1.82 -1.93 2.14 116.42 119.11 1roe h ASP 68 Ca -0.00 -0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.74 1roe h ASP 68 Cb 0.66 0.18 -0.08 0.00 0.68 0.00 0.00 39.33 40.76 1roe h ASP 68 CO 0.03 -0.30 0.56 0.06 -1.61 0.00 0.00 179.24 177.98 1roe h GLN 69 N -1.17 0.89 0.00 0.28 -0.00 -1.81 0.28 115.11 113.57 1roe h GLN 69 Ca -0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1roe h GLN 69 Cb 0.65 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1roe h GLN 69 CO 0.14 0.59 -0.37 -0.89 -0.00 0.00 0.00 178.83 178.30 1roe n ILE 70 N -4.67 0.40 -0.25 1.86 5.41 -1.05 -2.28 119.36 118.77 1roe n ILE 70 Ca 0.17 -0.24 0.27 0.00 1.00 0.00 0.00 62.75 63.94 1roe n ILE 70 Cb 0.32 -0.28 0.41 0.00 -0.71 0.00 0.00 39.64 39.37 1roe n ILE 70 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1roe n GLU 71 N -2.09 0.01 -0.26 0.38 4.07 0.72 -1.36 120.64 122.11 1roe n GLU 71 Ca 0.04 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1roe n GLU 71 Cb 0.42 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 1roe n GLU 71 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1roe n LYS 72 N -2.98 0.00 0.00 5.31 4.01 -1.11 -2.51 118.16 120.89 1roe n LYS 72 Ca 0.22 -0.27 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1roe n LYS 72 Cb 1.30 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 35.64 1roe n LYS 72 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1roe n GLY 73 N 0.00 1.50 3.86 0.72 0.00 -0.47 -3.66 105.19 107.15 1roe n GLY 73 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 1roe n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1roe s PHE 74 N 0.00 2.54 0.00 1.61 0.08 -1.26 -3.44 117.98 117.51 1roe s PHE 74 Ca 0.00 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1roe s PHE 74 Cb 0.00 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1roe s PHE 74 CO 0.00 -0.14 0.00 1.33 -0.10 0.00 0.00 175.22 176.31 1roe n VAL 75 N -1.54 0.00 -1.87 -0.44 0.24 -1.26 -4.50 118.33 108.96 1roe n VAL 75 Ca 0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.11 1roe n VAL 75 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1roe n VAL 75 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1roe s LEU 76 N 0.00 2.97 0.23 1.34 1.43 -1.26 -4.57 118.68 118.82 1roe s LEU 76 Ca 0.00 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1roe s LEU 76 Cb 0.00 -2.57 0.21 0.00 0.03 0.00 0.00 46.19 43.87 1roe s LEU 76 CO 0.00 -3.35 1.53 0.74 0.23 0.00 0.00 176.35 175.50 1roe h THR 77 N 7.14 1.44 0.00 5.49 2.02 -1.81 1.82 112.91 129.01 1roe h THR 77 Ca 0.08 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1roe h THR 77 Cb 0.99 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1roe h THR 77 CO 1.13 0.64 0.00 0.00 0.37 0.00 0.00 175.52 177.67 1roe n VAL 79 N -1.37 0.00 -2.69 0.00 0.31 -0.61 -4.97 118.33 108.99 1roe n VAL 79 Ca 0.07 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 1roe n VAL 79 Cb 0.18 1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 34.28 1roe n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1roe s ALA 80 N -0.21 3.24 -0.19 3.52 0.00 0.61 -4.91 121.76 123.84 1roe s ALA 80 Ca 0.00 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1roe s ALA 80 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1roe s ALA 80 CO 0.00 -0.10 0.02 -0.47 0.00 0.00 0.00 175.76 175.21 1roe s TYR 81 N 0.23 3.12 -0.43 0.00 5.04 -0.99 -3.26 117.35 121.06 1roe s TYR 81 Ca 0.49 -0.19 -0.28 0.00 -2.44 0.00 0.00 57.07 54.64 1roe s TYR 81 Cb -0.24 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 1roe s TYR 81 CO 0.30 -0.04 1.64 -1.25 -1.34 0.00 0.00 175.55 174.86 1roe s PRO 82 N 0.64 3.29 -0.15 4.97 0.04 -1.22 0.23 135.00 142.80 1roe s PRO 82 Ca 0.01 1.03 0.18 0.00 0.04 0.00 0.00 61.00 62.25 1roe s PRO 82 Cb -0.14 -4.17 0.35 0.00 0.04 0.00 0.00 34.50 30.59 1roe s PRO 82 CO 0.02 -1.91 1.22 2.89 0.04 0.00 0.00 177.00 179.25 1roe n ARG 83 N 8.47 1.65 -3.81 4.56 -4.01 0.24 -4.32 116.66 119.44 1roe n ARG 83 Ca 0.19 -2.70 -0.04 0.00 -1.04 0.00 0.00 57.85 54.26 1roe n ARG 83 Cb 0.48 -1.59 0.00 0.00 -3.04 0.00 0.00 32.46 28.32 1roe n ARG 83 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 1roe s SER 84 N -2.71 -0.09 0.47 2.89 0.01 -1.13 -4.98 113.70 108.16 1roe s SER 84 Ca 0.35 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 1roe s SER 84 Cb 0.30 0.54 -0.07 0.00 0.21 0.00 0.00 66.02 67.00 1roe s SER 84 CO 0.03 -1.03 1.17 -0.62 0.41 0.00 0.00 173.24 173.20 1roe s ASP 85 N -3.13 6.08 0.20 2.44 2.15 -0.48 -4.02 116.67 119.91 1roe s ASP 85 Ca 0.16 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.45 1roe s ASP 85 Cb -0.02 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1roe s ASP 85 CO 0.05 -0.98 0.08 0.00 -0.17 0.00 0.00 175.17 174.14 1roe n LYS 87 N -0.28 0.70 0.00 0.00 -0.00 -1.25 -0.64 118.16 116.69 1roe n LYS 87 Ca -0.02 -1.93 0.00 0.00 -0.00 0.00 0.00 58.31 56.36 1roe n LYS 87 Cb 0.65 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 1roe n LYS 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1roe n ILE 88 N 1.98 0.00 -3.53 0.58 2.08 0.46 -3.69 119.36 117.25 1roe n ILE 88 Ca 0.12 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.36 1roe n ILE 88 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.47 1roe n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1roe s LEU 89 N 0.00 -0.31 0.00 1.39 0.20 -0.39 0.90 118.68 120.47 1roe s LEU 89 Ca 0.00 0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.84 1roe s LEU 89 Cb 0.00 1.87 0.00 0.00 -0.43 0.00 0.00 46.19 47.63 1roe s LEU 89 CO 0.00 -0.52 0.13 0.35 -0.29 0.00 0.00 176.35 176.02 1roe n THR 90 N -0.17 0.00 0.38 3.68 -2.24 -0.66 0.35 114.28 115.62 1roe n THR 90 Ca -0.07 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1roe n THR 90 Cb 0.61 1.06 0.12 0.00 -2.10 0.00 0.00 70.33 70.02 1roe n THR 90 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1roe n ASN 91 N -0.55 2.61 -3.72 3.42 5.03 0.15 -4.44 115.26 117.77 1roe n ASN 91 Ca 0.00 -2.33 -0.14 0.00 0.87 0.00 0.00 54.58 52.98 1roe n ASN 91 Cb 0.01 -0.57 -0.08 0.00 -1.02 0.00 0.00 39.78 38.13 1roe n ASN 91 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1roe s GLN 92 N -1.51 0.75 0.00 3.52 -0.44 -1.26 -4.85 119.66 115.87 1roe s GLN 92 Ca 0.18 -0.13 0.00 0.00 -2.50 0.00 0.00 55.36 52.91 1roe s GLN 92 Cb 0.14 0.34 0.00 0.00 -1.64 0.00 0.00 33.01 31.84 1roe s GLN 92 CO 0.05 -0.21 0.03 -0.85 0.50 0.00 0.00 175.29 174.81 1roe n GLU 93 N 1.17 0.00 0.00 1.67 0.28 -1.24 -3.22 120.64 119.30 1roe n GLU 93 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1roe n GLU 93 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1roe n GLU 93 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1roe n GLU 94 N 0.00 0.00 -0.63 3.44 1.02 -1.26 -2.91 120.64 120.30 1roe n GLU 94 Ca 0.00 0.11 0.49 0.00 -0.02 0.00 0.00 57.16 57.74 1roe n GLU 94 Cb 0.09 -1.54 0.76 0.00 -0.02 0.00 0.00 31.44 30.74 1roe n GLU 94 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1roe h GLU 95 N 0.00 0.00 -1.20 3.49 4.22 -1.74 1.06 114.58 120.42 1roe h GLU 95 Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.86 1roe h GLU 95 Cb 0.07 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.08 1roe h GLU 95 CO 0.00 0.00 0.75 1.28 -2.18 0.00 0.00 179.01 178.86 1roe n LEU 96 N -3.83 7.35 0.00 1.64 4.32 -0.97 -4.62 117.00 120.89 1roe n LEU 96 Ca 0.41 -4.03 0.00 0.00 -0.02 0.00 0.00 56.01 52.37 1roe n LEU 96 Cb 1.93 -1.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1roe n LEU 96 CO 0.41 1.42 0.08 -1.22 -1.22 0.00 0.00 177.39 176.86