#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 0.10 0.39 0.00 2.01 -1.26 -3.99 115.64 112.90 1roe s THR 2 Ca 0.00 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.22 1roe s THR 2 Cb 0.00 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1roe s THR 2 CO 0.00 -0.47 0.51 -0.31 -0.69 0.00 0.00 174.62 173.66 1roe s TYR 3 N -3.43 2.89 0.04 4.92 2.02 -0.00 -4.82 117.35 118.97 1roe s TYR 3 Ca 0.01 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1roe s TYR 3 Cb 0.02 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1roe s TYR 3 CO -0.09 -0.25 0.03 0.21 -1.57 0.00 0.00 175.55 173.89 1roe s LYS 4 N -4.26 0.53 0.20 -0.62 2.47 -1.21 -2.67 119.74 114.18 1roe s LYS 4 Ca 0.51 -0.84 -0.14 0.00 -1.56 0.00 0.00 55.97 53.94 1roe s LYS 4 Cb -0.09 0.20 0.01 0.00 -1.46 0.00 0.00 37.83 36.49 1roe s LYS 4 CO 0.32 -0.12 0.45 0.14 0.16 0.00 0.00 175.35 176.30 1roe s VAL 5 N -2.68 0.03 -0.08 4.02 -7.23 0.82 -0.95 120.40 114.33 1roe s VAL 5 Ca -0.04 -1.12 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1roe s VAL 5 Cb -0.01 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.14 1roe s VAL 5 CO -0.05 -0.14 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.70 1roe s THR 6 N -3.94 0.46 0.00 5.32 2.01 -0.04 -2.61 115.64 116.85 1roe s THR 6 Ca 0.15 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1roe s THR 6 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1roe s THR 6 CO 0.01 0.24 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 1roe n LEU 7 N 5.12 0.00 0.00 4.42 -0.00 -0.04 0.20 117.00 126.70 1roe n LEU 7 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 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 0.11 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.83 1roe n VAL 8 N 0.00 0.00 0.00 1.47 0.24 0.19 -0.46 118.33 119.77 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 -0.11 7.34 1.74 -1.23 -1.74 116.66 122.66 1roe n ARG 9 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1roe n ARG 9 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.80 0.55 0.00 5.56 -0.04 -1.26 -1.01 135.00 137.00 1roe n PRO 10 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1roe n PRO 10 Cb 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 -4.43 0.00 -0.60 3.54 -0.08 -1.26 -4.94 116.55 108.78 1roe n ASP 11 Ca -0.31 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 52.95 1roe n ASP 11 Cb 0.64 0.00 -0.02 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 0.73 3.97 0.27 0.00 -1.26 -5.12 105.19 103.78 1roe n GLY 12 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1roe n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1roe s SER 13 N -0.28 5.42 -0.21 1.61 0.01 -1.26 -4.95 113.70 114.05 1roe s SER 13 Ca 0.00 0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 1roe s SER 13 Cb 0.00 -1.05 0.06 0.00 0.21 0.00 0.00 66.02 65.24 1roe s SER 13 CO 0.00 -1.03 0.52 -1.61 0.41 0.00 0.00 173.24 171.53 1roe s GLU 14 N -4.71 0.55 0.00 12.44 2.02 -1.26 -3.58 118.70 124.17 1roe s GLU 14 Ca 0.55 0.87 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1roe s GLU 14 Cb -0.10 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1roe s GLU 14 CO 0.38 -0.12 0.00 0.25 0.02 0.00 0.00 175.26 175.79 1roe n THR 15 N 3.72 0.00 -3.57 3.63 -2.24 0.39 -4.89 114.28 111.33 1roe n THR 15 Ca -0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1roe n THR 15 Cb 0.57 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.09 0.00 0.34 4.28 -1.32 -1.24 -0.86 115.64 114.74 1roe s THR 16 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 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 0.21 2.30 -2.21 0.00 0.00 174.62 174.92 1roe n ILE 17 N 1.61 0.00 -3.95 5.08 -5.35 -1.07 -4.76 119.36 110.92 1roe n ILE 17 Ca -0.17 -2.26 -0.09 0.00 -0.27 0.00 0.00 62.75 59.96 1roe n ILE 17 Cb 0.56 1.00 -0.09 0.00 -1.74 0.00 0.00 39.64 39.37 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 -3.26 0.23 -0.06 7.28 -4.77 -1.25 -0.12 116.67 114.71 1roe s ASP 18 Ca 0.30 -0.64 -0.07 0.00 -3.30 0.00 0.00 52.55 48.84 1roe s ASP 18 Cb 0.01 0.24 0.02 0.00 -1.09 0.00 0.00 42.92 42.10 1roe s ASP 18 CO 0.21 -0.56 0.19 -0.69 0.70 0.00 0.00 175.17 175.02 1roe s VAL 19 N -3.05 0.01 -0.49 2.11 1.01 -1.09 -4.82 120.40 114.08 1roe s VAL 19 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1roe s VAL 19 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1roe s VAL 19 CO -0.07 -0.03 0.42 -0.81 0.00 0.00 0.00 175.10 174.61 1roe n PRO 20 N 2.84 0.56 -1.36 2.72 -0.04 -1.26 -0.82 135.00 137.64 1roe n PRO 20 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1roe n PRO 20 Cb 0.58 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1roe n PRO 20 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1roe n GLU 21 N 0.47 -1.39 -2.69 0.54 0.28 -1.26 -4.66 120.64 111.93 1roe n GLU 21 Ca 0.00 0.22 -0.07 0.00 -0.16 0.00 0.00 57.16 57.15 1roe n GLU 21 Cb 0.21 -4.37 0.10 0.00 1.43 0.00 0.00 31.44 28.81 1roe n GLU 21 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1roe n ASP 22 N 0.17 -1.25 0.00 -1.84 -0.08 -1.26 -4.87 116.55 107.43 1roe n ASP 22 Ca -0.04 -2.48 0.00 0.00 -1.51 0.00 0.00 54.79 50.76 1roe n ASP 22 Cb 0.20 0.71 0.00 0.00 2.34 0.00 0.00 41.12 44.37 1roe n ASP 22 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1roe n GLU 23 N -0.56 0.00 -3.82 -0.67 0.28 -1.26 -5.11 120.64 109.50 1roe n GLU 23 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.95 1roe n GLU 23 Cb 0.85 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.72 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 1.24 -0.01 -0.06 -1.84 1.51 -1.26 -4.61 117.35 112.32 1roe s TYR 24 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1roe s TYR 24 Cb 0.00 0.69 0.00 0.00 -0.11 0.00 0.00 41.96 42.54 1roe s TYR 24 CO 0.00 -0.93 0.91 0.44 -1.11 0.00 0.00 175.55 174.86 1roe n ILE 25 N -0.59 0.88 0.51 2.71 -5.35 -1.21 -3.55 119.36 112.76 1roe n ILE 25 Ca -0.05 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.56 1roe n ILE 25 Cb 0.60 -0.94 0.23 0.00 -1.74 0.00 0.00 39.64 37.79 1roe n ILE 25 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 1roe h LEU 26 N 1.00 0.00 -1.33 7.28 8.10 -1.92 1.26 115.31 129.71 1roe h LEU 26 Ca 0.00 -0.11 -0.06 0.00 0.11 0.00 0.00 57.88 57.82 1roe h LEU 26 Cb 0.91 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.12 1roe h LEU 26 CO 0.00 0.05 -0.29 -0.78 -4.11 0.00 0.00 178.44 173.31 1roe h ASP 27 N 0.00 0.00 0.73 0.17 1.82 -1.91 0.57 116.42 117.80 1roe h ASP 27 Ca 0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 1roe h ASP 27 Cb 0.79 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.77 1roe h ASP 27 CO 0.00 0.29 -1.38 -0.37 -1.61 0.00 0.00 179.24 176.17 1roe h VAL 28 N 0.00 0.52 -0.52 2.25 -1.51 -1.50 -2.91 116.25 112.58 1roe h VAL 28 Ca -0.00 -2.01 0.15 0.00 -1.23 0.00 0.00 66.70 63.61 1roe h VAL 28 Cb 0.65 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.85 1roe h VAL 28 CO 0.04 0.29 0.78 0.00 -1.23 0.00 0.00 177.57 177.45 1roe h ALA 29 N 1.42 2.29 0.00 5.19 0.00 0.39 3.07 119.26 131.62 1roe h ALA 29 Ca -0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1roe h ALA 29 Cb 1.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1roe h ALA 29 CO 0.05 -1.04 -1.08 -0.85 0.00 0.00 0.00 179.25 176.32 1roe n GLU 30 N -3.27 0.29 0.01 0.00 0.28 -1.11 0.26 120.64 117.10 1roe n GLU 30 Ca 0.11 0.12 0.02 0.00 -0.16 0.00 0.00 57.16 57.25 1roe n GLU 30 Cb 0.96 -1.00 0.37 0.00 1.43 0.00 0.00 31.44 33.20 1roe n GLU 30 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1roe h GLU 31 N -0.52 0.52 0.09 3.44 4.11 -1.28 0.15 114.58 121.09 1roe h GLU 31 Ca -0.16 -0.06 -0.31 0.00 0.07 0.00 0.00 59.36 58.90 1roe h GLU 31 Cb 0.87 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1roe h GLU 31 CO -0.10 0.43 -1.60 0.37 0.07 0.00 0.00 179.01 178.19 1roe h GLN 32 N 0.52 0.19 0.00 1.06 5.75 0.49 -3.49 115.11 119.64 1roe h GLN 32 Ca 0.13 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1roe h GLN 32 Cb 0.11 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1roe h GLN 32 CO -0.01 1.01 0.00 0.41 -2.65 0.00 0.00 178.83 177.58 1roe n GLY 33 N 1.67 0.48 0.00 2.39 0.00 0.27 -4.88 105.19 105.12 1roe n GLY 33 Ca -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.00 -0.35 0.99 4.77 0.74 -4.49 117.00 118.65 1roe n LEU 34 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1roe n LEU 34 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1roe n LEU 34 CO 0.00 0.00 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.35 1roe n ASP 35 N 0.00 -4.89 -0.03 -1.43 -0.08 -1.26 -4.67 116.55 104.20 1roe n ASP 35 Ca 0.00 0.10 -0.19 0.00 -1.51 0.00 0.00 54.79 53.19 1roe n ASP 35 Cb 0.00 -3.26 -0.13 0.00 2.34 0.00 0.00 41.12 40.07 1roe n ASP 35 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1roe h LEU 36 N 0.00 0.22 -6.82 -2.67 3.38 -1.88 -3.39 115.31 104.15 1roe h LEU 36 Ca -0.08 -0.85 -0.70 0.00 0.09 0.00 0.00 57.88 56.34 1roe h LEU 36 Cb 0.90 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1roe h LEU 36 CO 0.12 1.37 2.71 -0.81 0.09 0.00 0.00 178.44 181.92 1roe n PRO 37 N -4.26 3.01 -2.21 1.13 -0.04 -1.26 -4.85 135.00 126.53 1roe n PRO 37 Ca -0.20 -2.92 -0.42 0.00 -0.04 0.00 0.00 63.50 59.93 1roe n PRO 37 Cb 0.72 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1roe n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1roe n PHE 38 N 7.06 2.92 0.00 0.54 7.35 -1.26 -4.37 117.46 129.70 1roe n PHE 38 Ca 0.50 -2.81 0.00 0.00 -0.76 0.00 0.00 57.45 54.38 1roe n PHE 38 Cb 0.42 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 38.25 1roe n PHE 38 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1roe n SER 39 N 3.80 1.47 -0.03 -2.13 3.41 -1.26 -4.82 113.62 114.07 1roe n SER 39 Ca 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1roe n SER 39 Cb 0.35 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.16 1roe n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1roe n ARG 41 N -3.05 -0.97 -2.61 0.00 0.00 -1.26 -4.67 116.66 104.10 1roe n ARG 41 Ca -0.19 0.01 -0.05 0.00 -0.00 0.00 0.00 57.85 57.62 1roe n ARG 41 Cb 1.06 -1.07 0.09 0.00 -0.00 0.00 0.00 32.46 32.55 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 -2.13 0.90 -4.27 2.89 0.00 -1.26 -4.99 120.51 111.65 1roe n ALA 42 Ca -0.10 -1.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.01 1roe n ALA 42 Cb 0.22 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.80 -0.26 0.00 0.00 0.00 -1.26 -4.78 105.19 98.09 1roe n GLY 43 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.40 1.44 -2.21 4.61 0.00 -1.26 -4.65 120.51 114.05 1roe n ALA 44 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1roe n ALA 44 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.11 3.95 0.07 0.00 3.41 -1.26 -4.38 113.62 115.30 1roe n SER 46 Ca -0.11 -3.16 -0.03 0.00 -0.26 0.00 0.00 58.87 55.30 1roe n SER 46 Cb 0.61 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.97 1.14 -0.50 6.66 1.35 -1.93 -3.32 112.91 118.28 1roe h THR 47 Ca 0.07 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1roe h THR 47 Cb 1.66 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 1roe h THR 47 CO 0.35 0.65 0.00 0.00 -0.25 0.00 0.00 175.52 176.27 1roe n ALA 49 N 0.54 0.00 0.00 0.00 0.00 -1.25 -4.32 120.51 115.48 1roe n ALA 49 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1roe n ALA 49 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 3.35 2.62 0.00 0.00 0.00 -1.21 -4.44 105.19 105.51 1roe n GLY 50 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.96 0.00 -0.85 1.61 4.76 0.49 -4.57 118.16 120.56 1roe n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1roe n LYS 51 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1roe n LYS 51 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1roe n LEU 52 N 0.00 0.00 -0.03 -0.35 -0.00 -1.24 -1.13 117.00 114.26 1roe n LEU 52 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1roe n LEU 52 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1roe n LEU 52 CO 0.00 0.00 -0.75 0.00 -0.00 0.00 0.00 177.39 176.64 1roe n LEU 53 N 0.00 2.41 0.00 1.47 -0.00 -1.15 -2.68 117.00 117.05 1roe n LEU 53 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1roe n LEU 53 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1roe n LEU 53 CO 0.00 0.69 0.00 -1.84 -0.00 0.00 0.00 177.39 176.24 1roe n GLU 54 N -3.77 0.00 0.00 1.47 0.28 -1.25 -4.10 120.64 113.27 1roe n GLU 54 Ca -0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 1roe n GLU 54 Cb 0.94 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.81 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 -1.24 -4.79 105.19 97.32 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 -1.13 1.61 4.07 -1.25 -2.50 120.64 121.45 1roe n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1roe n GLU 56 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 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 -1.45 0.00 -4.36 6.31 0.24 -1.25 -0.65 118.33 117.16 1roe n VAL 57 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1roe n VAL 57 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.13 2.59 0.00 -1.34 2.15 0.37 -4.73 116.67 115.58 1roe s ASP 58 Ca 0.00 -1.07 0.25 0.00 0.43 0.00 0.00 52.55 52.16 1roe s ASP 58 Cb 0.00 -0.14 0.55 0.00 -0.30 0.00 0.00 42.92 43.03 1roe s ASP 58 CO 0.00 -0.23 1.44 0.00 -0.17 0.00 0.00 175.17 176.21 1roe n GLN 59 N -0.43 0.15 0.00 4.34 10.64 -1.26 -2.47 117.38 128.34 1roe n GLN 59 Ca -0.07 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 1roe n GLN 59 Cb 0.61 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1roe n GLN 59 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1roe n SER 60 N -1.35 0.00 -3.77 2.61 2.88 -1.26 -4.87 113.62 107.85 1roe n SER 60 Ca 0.07 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 1roe n SER 60 Cb 0.34 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.04 1roe n SER 60 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1roe s ASP 61 N 0.00 0.95 -0.28 -3.46 1.01 -1.26 -5.07 116.67 108.56 1roe s ASP 61 Ca 0.00 0.57 -0.09 0.00 0.71 0.00 0.00 52.55 53.74 1roe s ASP 61 Cb 0.00 -0.76 0.12 0.00 1.01 0.00 0.00 42.92 43.29 1roe s ASP 61 CO 0.00 -4.10 0.59 -1.58 0.21 0.00 0.00 175.17 170.30 1roe s GLN 62 N -5.47 0.52 0.00 8.23 2.00 -1.26 -5.01 119.66 118.67 1roe s GLN 62 Ca 0.72 1.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.41 1roe s GLN 62 Cb -0.09 0.73 0.00 0.00 0.80 0.00 0.00 33.01 34.45 1roe s GLN 62 CO 0.56 -0.24 0.00 -1.13 -0.50 0.00 0.00 175.29 173.98 1roe n SER 63 N 5.44 0.00 0.00 6.67 3.41 -1.26 -5.00 113.62 122.88 1roe n SER 63 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1roe n SER 63 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1roe n SER 63 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1roe n PHE 64 N 0.00 0.00 -2.67 7.33 -0.00 -1.26 -5.09 117.46 115.77 1roe n PHE 64 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1roe n PHE 64 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 1roe n PHE 64 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1roe s LEU 65 N -2.48 4.28 0.00 -2.13 1.02 -1.26 -4.90 118.68 113.21 1roe s LEU 65 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 54.13 55.74 1roe s LEU 65 Cb 0.00 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.65 1roe s LEU 65 CO 0.00 -0.41 0.00 0.47 0.02 0.00 0.00 176.35 176.43 1roe n ASP 66 N 4.73 0.00 0.24 2.29 9.92 -1.26 -4.77 116.55 127.71 1roe n ASP 66 Ca 0.08 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.45 1roe n ASP 66 Cb 0.49 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.56 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 0.56 -2.24 1.82 -1.92 -2.62 116.42 112.02 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 0.19 -0.27 -0.78 -1.61 0.00 0.00 179.24 176.78 1roe h ASP 68 N 0.00 -0.63 -0.34 2.28 1.82 -1.92 2.23 116.42 119.86 1roe h ASP 68 Ca -0.00 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.72 1roe h ASP 68 Cb 0.53 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.64 1roe h ASP 68 CO 0.03 -0.24 -0.02 0.06 -1.61 0.00 0.00 179.24 177.45 1roe h GLN 69 N -1.17 0.07 0.00 0.28 3.07 -1.83 0.22 115.11 115.76 1roe h GLN 69 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1roe h GLN 69 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1roe h GLN 69 CO 0.13 0.05 0.00 0.82 0.09 0.00 0.00 178.83 179.91 1roe h ILE 70 N 0.07 0.00 -0.02 1.86 2.04 -1.53 -2.48 117.51 117.45 1roe h ILE 70 Ca 0.16 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1roe h ILE 70 Cb 0.23 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1roe h ILE 70 CO -0.29 0.00 0.98 -0.08 0.00 0.00 0.00 178.15 178.76 1roe h GLU 71 N 0.00 0.00 0.00 2.37 4.81 0.72 -1.71 114.58 120.77 1roe h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1roe h GLU 71 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1roe h GLU 71 CO 0.00 0.00 -0.16 1.63 -0.73 0.00 0.00 179.01 179.75 1roe n LYS 72 N -2.53 0.00 0.00 1.92 4.01 -1.09 -2.91 118.16 117.56 1roe n LYS 72 Ca 0.00 -0.43 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 1roe n LYS 72 Cb 0.98 -0.27 0.00 0.00 -0.51 0.00 0.00 35.03 35.23 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 2.25 2.86 0.72 0.00 -0.64 -4.24 105.19 106.14 1roe n GLY 73 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1roe n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1roe n PHE 74 N 0.00 3.59 -0.21 1.61 3.72 -0.88 0.15 117.46 125.44 1roe n PHE 74 Ca 0.00 -4.15 0.16 0.00 -0.05 0.00 0.00 57.45 53.40 1roe n PHE 74 Cb 0.00 -0.79 0.29 0.00 -0.94 0.00 0.00 39.48 38.04 1roe n PHE 74 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1roe n VAL 75 N 1.78 -0.26 -2.38 -4.37 3.14 -1.09 -1.89 118.33 113.26 1roe n VAL 75 Ca 0.23 1.32 -0.43 0.00 -2.96 0.00 0.00 64.34 62.50 1roe n VAL 75 Cb 0.37 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.10 1roe n VAL 75 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1roe n LEU 76 N -4.59 6.26 0.08 6.55 -0.00 -1.26 -4.37 117.00 119.66 1roe n LEU 76 Ca 0.20 -4.46 -0.16 0.00 -0.00 0.00 0.00 56.01 51.58 1roe n LEU 76 Cb 0.68 -1.56 -0.14 0.00 -0.00 0.00 0.00 43.42 42.39 1roe n LEU 76 CO -0.02 1.10 -0.24 0.74 -0.00 0.00 0.00 177.39 178.97 1roe h THR 77 N 4.12 1.27 0.00 1.47 2.02 -1.57 -1.21 112.91 119.00 1roe h THR 77 Ca 0.41 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1roe h THR 77 Cb 0.70 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1roe h THR 77 CO 1.58 0.84 0.02 0.00 0.37 0.00 0.00 175.52 178.33 1roe n VAL 79 N -1.98 0.00 -2.73 0.00 3.14 -1.20 -5.01 118.33 110.54 1roe n VAL 79 Ca -0.01 -0.48 -0.41 0.00 -2.96 0.00 0.00 64.34 60.48 1roe n VAL 79 Cb 0.04 1.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.77 1roe n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1roe s ALA 80 N -0.96 3.29 -0.10 1.55 0.00 -0.29 -4.71 121.76 120.52 1roe s ALA 80 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1roe s ALA 80 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1roe s ALA 80 CO 0.00 0.06 -0.19 -0.47 0.00 0.00 0.00 175.76 175.15 1roe s TYR 81 N -0.48 2.65 0.02 0.00 5.04 -1.03 -3.30 117.35 120.25 1roe s TYR 81 Ca 0.45 -0.81 -0.30 0.00 -2.44 0.00 0.00 57.07 53.96 1roe s TYR 81 Cb -0.25 -1.75 -0.06 0.00 0.35 0.00 0.00 41.96 40.26 1roe s TYR 81 CO 0.31 -0.28 1.43 -1.25 -1.34 0.00 0.00 175.55 174.42 1roe s PRO 82 N 0.23 4.28 -0.01 4.97 0.04 -1.23 0.14 135.00 143.42 1roe s PRO 82 Ca -0.13 2.02 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1roe s PRO 82 Cb -0.16 -3.54 0.02 0.00 0.04 0.00 0.00 34.50 30.85 1roe s PRO 82 CO 0.07 -0.58 0.73 2.89 0.04 0.00 0.00 177.00 180.14 1roe n ARG 83 N 5.25 0.89 -3.17 4.56 1.85 0.17 -4.15 116.66 122.06 1roe n ARG 83 Ca 0.13 -0.94 -0.02 0.00 -1.00 0.00 0.00 57.85 56.02 1roe n ARG 83 Cb 0.43 -0.69 0.01 0.00 -1.05 0.00 0.00 32.46 31.16 1roe n ARG 83 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1roe n SER 84 N -0.21 -1.20 -4.75 2.89 2.88 -1.23 -4.95 113.62 107.04 1roe n SER 84 Ca 0.01 -1.61 -0.36 0.00 -1.33 0.00 0.00 58.87 55.58 1roe n SER 84 Cb 0.46 1.94 0.04 0.00 -0.75 0.00 0.00 64.21 65.90 1roe n SER 84 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1roe s ASP 85 N -2.74 5.12 0.25 -3.46 -1.08 -1.04 -4.23 116.67 109.49 1roe s ASP 85 Ca 0.17 2.39 0.03 0.00 -0.52 0.00 0.00 52.55 54.61 1roe s ASP 85 Cb -0.02 -2.60 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 1roe s ASP 85 CO 0.04 -1.64 0.04 0.00 0.52 0.00 0.00 175.17 174.13 1roe n LYS 87 N -0.46 0.61 0.00 0.00 3.00 -1.25 -0.86 118.16 119.20 1roe n LYS 87 Ca -0.03 -2.08 0.00 0.00 -0.00 0.00 0.00 58.31 56.20 1roe n LYS 87 Cb 0.65 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 2.34 0.00 -3.61 3.15 2.08 0.54 -3.98 119.36 119.89 1roe n ILE 88 Ca 0.16 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.43 1roe n ILE 88 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.45 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 -0.18 0.00 1.39 0.20 -0.28 0.58 118.68 120.39 1roe s LEU 89 Ca 0.00 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.72 1roe s LEU 89 Cb 0.00 1.66 0.00 0.00 -0.43 0.00 0.00 46.19 47.42 1roe s LEU 89 CO 0.00 -0.45 0.12 1.07 -0.29 0.00 0.00 176.35 176.80 1roe n THR 90 N -0.29 0.00 0.29 3.68 5.66 -0.71 0.18 114.28 123.09 1roe n THR 90 Ca -0.05 -0.16 -0.01 0.00 -3.05 0.00 0.00 64.05 60.78 1roe n THR 90 Cb 0.61 1.48 0.12 0.00 -1.55 0.00 0.00 70.33 70.99 1roe n THR 90 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1roe n ASN 91 N -0.09 2.86 -3.66 1.09 5.03 -0.18 -3.87 115.26 116.44 1roe n ASN 91 Ca 0.00 -2.40 -0.14 0.00 0.87 0.00 0.00 54.58 52.91 1roe n ASN 91 Cb 0.12 -0.58 -0.07 0.00 -1.02 0.00 0.00 39.78 38.23 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 0.89 0.00 3.52 -0.44 -1.26 -4.83 119.66 116.04 1roe s GLN 92 Ca 0.20 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.84 1roe s GLN 92 Cb 0.16 0.40 0.00 0.00 -1.64 0.00 0.00 33.01 31.93 1roe s GLN 92 CO 0.05 -0.29 0.00 -0.85 0.50 0.00 0.00 175.29 174.70 1roe n GLU 93 N 0.74 0.00 0.00 1.67 0.28 -1.26 -3.33 120.64 118.74 1roe n GLU 93 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1roe n GLU 93 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 0.00 3.44 1.02 -1.26 -2.07 120.64 121.77 1roe n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1roe n GLU 94 Cb 0.03 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1roe n GLU 94 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1roe n GLU 95 N -0.83 0.00 0.13 3.49 4.71 -1.16 -1.71 120.64 125.27 1roe n GLU 95 Ca 0.00 0.37 0.10 0.00 -0.01 0.00 0.00 57.16 57.61 1roe n GLU 95 Cb 0.00 -1.54 0.48 0.00 -1.01 0.00 0.00 31.44 29.37 1roe n GLU 95 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1roe n LEU 96 N -1.36 0.49 0.00 -4.62 4.77 0.12 -4.42 117.00 111.98 1roe n LEU 96 Ca 0.00 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1roe n LEU 96 Cb 0.04 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1roe n LEU 96 CO 0.00 -0.79 0.00 -1.22 -1.33 0.00 0.00 177.39 174.05