#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5i s GLU 3 N 0.00 3.38 0.18 0.00 0.41 -1.26 -5.03 118.70 116.38 2o5i s GLU 3 Ca 0.00 -0.47 -0.33 0.00 -0.41 0.00 0.00 54.97 53.76 2o5i s GLU 3 Cb 0.00 -2.69 -0.14 0.00 -1.78 0.00 0.00 34.13 29.52 2o5i s GLU 3 CO 0.00 0.11 1.52 -2.30 -0.49 0.00 0.00 175.26 174.10 2o5i n PRO 4 N -1.77 2.09 -3.49 0.39 -0.02 -1.26 -3.61 135.00 127.32 2o5i n PRO 4 Ca -0.04 0.75 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2o5i n PRO 4 Cb 0.57 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2o5i n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5i n GLY 5 N 3.02 -0.08 0.28 -1.23 0.00 -1.26 -4.78 105.19 101.14 2o5i n GLY 5 Ca 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2o5i n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o5i h ILE 6 N 1.87 1.24 -0.17 -0.61 6.09 -1.99 -0.81 117.51 123.12 2o5i h ILE 6 Ca -0.09 -1.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.39 2o5i h ILE 6 Cb 0.19 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.38 2o5i h ILE 6 CO 0.08 0.35 0.08 0.44 -3.07 0.00 0.00 178.15 176.02 2o5i h ASP 7 N 0.70 0.23 -0.38 2.19 3.32 -1.90 0.59 116.42 121.17 2o5i h ASP 7 Ca 0.14 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.13 2o5i h ASP 7 Cb 0.46 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.86 2o5i h ASP 7 CO 0.02 0.30 -0.23 0.11 -1.72 0.00 0.00 179.24 177.72 2o5i h LYS 8 N 0.14 -0.16 0.44 3.56 1.57 -1.84 0.34 116.57 120.61 2o5i h LYS 8 Ca 0.06 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2o5i h LYS 8 Cb 0.14 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2o5i h LYS 8 CO -0.01 -0.11 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.23 2o5i h LEU 9 N -0.17 -1.28 -0.97 2.94 3.38 -0.65 -2.06 115.31 116.50 2o5i h LEU 9 Ca 0.19 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.52 2o5i h LEU 9 Cb 0.46 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 2o5i h LEU 9 CO -0.48 -0.62 0.51 -0.26 0.09 0.00 0.00 178.44 177.68 2o5i h PHE 10 N -0.92 0.86 0.00 1.13 0.05 0.61 0.23 116.94 118.90 2o5i h PHE 10 Ca -0.05 0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 2o5i h PHE 10 Cb 0.81 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.53 2o5i h PHE 10 CO -0.25 -0.03 -0.13 0.78 -0.18 0.00 0.00 178.31 178.50 2o5i h GLY 11 N 0.46 0.00 2.00 -1.45 0.00 -0.27 -2.84 103.07 100.97 2o5i h GLY 11 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2o5i h GLY 11 CO -0.53 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.04 2o5i n MET 12 N -3.37 0.15 -4.46 4.80 2.81 0.79 -4.84 117.12 113.00 2o5i n MET 12 Ca -0.01 0.16 -0.24 0.00 -1.81 0.00 0.00 57.70 55.80 2o5i n MET 12 Cb 0.32 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 31.04 2o5i n MET 12 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2o5i s VAL 13 N -3.08 2.46 0.25 2.03 1.01 -1.07 -5.03 120.40 116.97 2o5i s VAL 13 Ca 0.11 -2.37 0.07 0.00 0.00 0.00 0.00 61.98 59.79 2o5i s VAL 13 Cb 0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2o5i s VAL 13 CO 0.54 -0.37 1.59 -2.24 0.00 0.00 0.00 175.10 174.61 2o5i h ASP 14 N 2.36 0.14 -3.71 3.32 2.03 -1.88 -3.45 116.42 115.23 2o5i h ASP 14 Ca -0.41 -0.08 -0.19 0.00 -0.73 0.00 0.00 57.03 55.62 2o5i h ASP 14 Cb 1.25 -0.04 -0.27 0.00 -0.83 0.00 0.00 39.33 39.44 2o5i h ASP 14 CO 0.59 0.72 -0.52 -0.55 -1.03 0.00 0.00 179.24 178.45 2o5i s SER 15 N -6.88 -0.19 0.19 4.15 0.15 -1.26 -5.07 113.70 104.79 2o5i s SER 15 Ca -0.03 0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.81 2o5i s SER 15 Cb 0.12 0.35 0.15 0.00 -1.71 0.00 0.00 66.02 64.93 2o5i s SER 15 CO 0.78 -0.08 1.61 0.50 1.20 0.00 0.00 173.24 177.25 2o5i h LYS 16 N 6.14 -0.11 0.00 5.44 3.64 -1.88 -0.14 116.57 129.66 2o5i h LYS 16 Ca -0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2o5i h LYS 16 Cb 1.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2o5i h LYS 16 CO 0.40 -0.07 0.00 1.88 -2.27 0.00 0.00 179.45 179.39 2o5i h TYR 17 N -0.11 0.00 -0.10 1.91 0.05 -2.00 -2.57 116.97 114.15 2o5i h TYR 17 Ca 0.24 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.94 2o5i h TYR 17 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2o5i h TYR 17 CO -0.53 0.00 -0.28 -0.09 -1.05 0.00 0.00 178.16 176.21 2o5i h ARG 18 N 0.00 0.36 -0.95 4.88 2.43 -1.44 -2.74 114.38 116.92 2o5i h ARG 18 Ca 0.00 -0.26 0.20 0.00 -0.81 0.00 0.00 59.98 59.11 2o5i h ARG 18 Cb 0.29 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.80 2o5i h ARG 18 CO 0.00 0.87 0.61 1.25 -1.51 0.00 0.00 179.97 181.19 2o5i h LEU 19 N -0.09 0.55 -0.25 3.80 5.85 -1.39 0.18 115.31 123.96 2o5i h LEU 19 Ca -0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2o5i h LEU 19 Cb 0.89 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2o5i h LEU 19 CO 0.06 0.21 0.13 0.74 -0.34 0.00 0.00 178.44 179.24 2o5i h THR 20 N 0.55 1.13 0.02 1.05 2.02 -1.47 -0.67 112.91 115.53 2o5i h THR 20 Ca 0.51 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2o5i h THR 20 Cb 1.07 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2o5i h THR 20 CO -0.25 0.12 -0.13 0.58 0.37 0.00 0.00 175.52 176.22 2o5i h VAL 21 N 0.28 0.69 0.41 3.16 2.07 -0.44 -1.60 116.25 120.82 2o5i h VAL 21 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2o5i h VAL 21 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2o5i h VAL 21 CO -0.01 0.00 -0.46 0.58 0.02 0.00 0.00 177.57 177.69 2o5i h VAL 22 N -0.22 0.00 -0.93 2.57 2.07 -0.81 0.53 116.25 119.46 2o5i h VAL 22 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2o5i h VAL 22 Cb 0.27 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.96 2o5i h VAL 22 CO -0.11 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.65 2o5i h VAL 23 N -0.89 0.78 -0.03 2.57 2.07 -1.08 -0.31 116.25 119.37 2o5i h VAL 23 Ca -0.05 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2o5i h VAL 23 Cb 0.78 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2o5i h VAL 23 CO -0.09 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 2o5i h ALA 24 N 1.60 0.05 0.00 1.67 0.00 -0.88 -2.22 119.26 119.48 2o5i h ALA 24 Ca 0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2o5i h ALA 24 Cb 0.84 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2o5i h ALA 24 CO -0.24 -0.12 -0.13 0.87 0.00 0.00 0.00 179.25 179.63 2o5i h LYS 25 N -0.44 0.00 0.10 0.00 1.57 -0.32 -2.02 116.57 115.46 2o5i h LYS 25 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2o5i h LYS 25 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2o5i h LYS 25 CO 0.01 0.13 -1.18 -0.09 -0.57 0.00 0.00 179.45 177.76 2o5i h ARG 26 N 0.00 0.42 0.00 3.15 9.65 -1.04 -3.04 114.38 123.52 2o5i h ARG 26 Ca -0.00 -0.58 -0.09 0.00 -1.10 0.00 0.00 59.98 58.20 2o5i h ARG 26 Cb 0.27 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2o5i h ARG 26 CO 0.02 1.24 -0.45 0.00 2.80 0.00 0.00 179.97 183.58 2o5i h ALA 27 N 0.53 1.21 0.74 2.80 0.00 -0.97 -1.19 119.26 122.37 2o5i h ALA 27 Ca -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2o5i h ALA 27 Cb 1.86 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.59 2o5i h ALA 27 CO 0.21 0.56 -0.36 1.96 0.00 0.00 0.00 179.25 181.62 2o5i h GLN 28 N 0.00 -0.96 -0.40 0.00 4.20 -1.40 -2.78 115.11 113.77 2o5i h GLN 28 Ca -0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2o5i h GLN 28 Cb 0.82 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2o5i h GLN 28 CO 0.06 -0.62 0.26 1.96 -0.67 0.00 0.00 178.83 179.81 2o5i h GLN 29 N -1.05 0.53 -0.76 1.46 4.20 -1.48 -1.52 115.11 116.48 2o5i h GLN 29 Ca -0.10 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.61 2o5i h GLN 29 Cb 0.77 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 2o5i h GLN 29 CO 0.17 0.36 0.50 1.25 -0.67 0.00 0.00 178.83 180.44 2o5i h LEU 30 N 0.54 0.81 0.00 1.46 5.85 -1.03 -3.10 115.31 119.84 2o5i h LEU 30 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2o5i h LEU 30 Cb -0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2o5i h LEU 30 CO -0.03 0.56 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.42 2o5i h LEU 31 N 0.94 0.00 0.00 2.25 3.38 -1.07 -2.93 115.31 117.87 2o5i h LEU 31 Ca 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2o5i h LEU 31 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2o5i h LEU 31 CO -0.09 0.68 0.00 -1.14 0.09 0.00 0.00 178.44 177.99 2o5i n ARG 32 N -4.71 0.00 0.00 1.13 0.63 -0.65 -1.75 116.66 111.32 2o5i n ARG 32 Ca -0.05 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 2o5i n ARG 32 Cb 0.17 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 31.91 2o5i n ARG 32 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2o5i n HIS 33 N -1.65 0.00 0.00 -0.14 -0.00 -1.17 -4.81 115.22 107.44 2o5i n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2o5i n HIS 33 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2o5i n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2o5i n GLY 34 N 0.17 2.40 0.00 -1.41 0.00 -0.71 -4.48 105.19 101.15 2o5i n GLY 34 Ca 0.00 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.63 2o5i n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2o5i n PHE 35 N 1.70 0.00 1.50 1.61 7.35 -1.11 -3.15 117.46 125.36 2o5i n PHE 35 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 2o5i n PHE 35 Cb 0.00 -0.06 0.53 0.00 0.35 0.00 0.00 39.48 40.31 2o5i n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2o5i n LYS 36 N -1.06 1.62 -0.61 -4.13 4.76 -1.26 -4.53 118.16 112.95 2o5i n LYS 36 Ca 0.19 -0.91 -0.18 0.00 -2.87 0.00 0.00 58.31 54.54 2o5i n LYS 36 Cb 0.12 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2o5i n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2o5i n ASN 37 N 0.10 4.11 -4.65 4.39 4.13 -1.19 -4.84 115.26 117.32 2o5i n ASN 37 Ca 0.19 -2.27 -0.25 0.00 1.68 0.00 0.00 54.58 53.93 2o5i n ASN 37 Cb 0.33 -1.00 -0.09 0.00 -1.54 0.00 0.00 39.78 37.49 2o5i n ASN 37 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2o5i s THR 38 N 3.68 2.45 -0.11 3.41 -1.32 -1.26 -4.82 115.64 117.66 2o5i s THR 38 Ca 0.33 -1.92 0.16 0.00 -1.21 0.00 0.00 61.69 59.04 2o5i s THR 38 Cb 0.08 -2.86 0.24 0.00 -1.51 0.00 0.00 72.50 68.45 2o5i s THR 38 CO -0.03 -0.13 1.13 1.33 -2.21 0.00 0.00 174.62 174.71 2o5i n VAL 39 N -1.01 1.73 -2.67 5.08 0.24 -1.26 -4.85 118.33 115.60 2o5i n VAL 39 Ca -0.04 -2.03 -0.04 0.00 -2.04 0.00 0.00 64.34 60.18 2o5i n VAL 39 Cb 0.64 -0.11 0.09 0.00 -1.47 0.00 0.00 33.84 32.99 2o5i n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2o5i n LEU 40 N -1.25 -1.51 -0.01 1.34 -0.00 -1.26 -5.05 117.00 109.25 2o5i n LEU 40 Ca 0.13 -2.93 -0.18 0.00 -0.00 0.00 0.00 56.01 53.03 2o5i n LEU 40 Cb 0.57 0.25 -0.14 0.00 -0.00 0.00 0.00 43.42 44.11 2o5i n LEU 40 CO 0.01 1.65 0.06 1.05 -0.00 0.00 0.00 177.39 180.17 2o5i h GLU 41 N 1.42 0.16 0.00 1.47 9.09 -1.88 -3.42 114.58 121.42 2o5i h GLU 41 Ca -0.36 -0.27 0.00 0.00 0.05 0.00 0.00 59.36 58.78 2o5i h GLU 41 Cb 1.27 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 2o5i h GLU 41 CO -0.12 1.13 0.00 -2.30 0.05 0.00 0.00 179.01 177.77 2o5i n PRO 42 N -4.30 0.00 0.00 1.06 -0.02 -1.26 -4.28 135.00 126.20 2o5i n PRO 42 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2o5i n PRO 42 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.18 2o5i n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2o5i n GLU 43 N 0.00 0.00 -3.81 -0.52 0.28 -1.26 -4.67 120.64 110.65 2o5i n GLU 43 Ca 0.00 0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.66 2o5i n GLU 43 Cb 0.00 -0.95 -0.11 0.00 1.43 0.00 0.00 31.44 31.82 2o5i n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2o5i s GLU 44 N -0.89 3.88 0.36 3.44 2.02 -1.26 -5.06 118.70 121.19 2o5i s GLU 44 Ca 0.00 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 2o5i s GLU 44 Cb 0.00 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.88 2o5i s GLU 44 CO 0.00 0.02 0.54 0.50 0.02 0.00 0.00 175.26 176.34 2o5i s ARG 45 N 1.09 2.02 0.48 1.61 3.52 -1.26 -4.80 118.95 121.62 2o5i s ARG 45 Ca 0.05 -1.76 -0.22 0.00 -0.13 0.00 0.00 55.73 53.67 2o5i s ARG 45 Cb -0.14 0.48 -0.09 0.00 -1.56 0.00 0.00 34.95 33.64 2o5i s ARG 45 CO 0.04 -0.86 1.00 -2.30 -0.81 0.00 0.00 175.30 172.37 2o5i n PRO 46 N -0.59 1.24 -3.64 5.12 -0.02 -1.26 -5.03 135.00 130.82 2o5i n PRO 46 Ca -0.00 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2o5i n PRO 46 Cb 0.61 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 2o5i n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2o5i s LYS 47 N -2.27 0.77 0.36 -0.52 -2.85 -1.26 -4.04 119.74 109.94 2o5i s LYS 47 Ca 0.67 1.02 0.09 0.00 -1.00 0.00 0.00 55.97 56.75 2o5i s LYS 47 Cb -0.50 0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.53 2o5i s LYS 47 CO 0.54 -0.11 -0.01 1.41 0.10 0.00 0.00 175.35 177.28 2o5i s MET 48 N 0.69 1.98 -0.12 1.78 -2.45 -1.26 -4.84 119.30 115.09 2o5i s MET 48 Ca -0.03 -1.89 0.16 0.00 -1.25 0.00 0.00 55.69 52.68 2o5i s MET 48 Cb -0.05 -1.80 0.26 0.00 1.25 0.00 0.00 34.83 34.49 2o5i s MET 48 CO -0.04 0.08 1.13 1.04 1.05 0.00 0.00 175.02 178.28 2o5i n GLN 49 N -0.92 1.09 0.25 4.11 3.00 -1.26 -4.04 117.38 119.60 2o5i n GLN 49 Ca -0.04 -2.40 0.16 0.00 -0.01 0.00 0.00 57.00 54.71 2o5i n GLN 49 Cb 0.64 -1.33 0.63 0.00 0.00 0.00 0.00 30.24 30.17 2o5i n GLN 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2o5i h THR 50 N 1.27 0.00 -2.02 5.09 2.02 -2.01 -3.45 112.91 113.81 2o5i h THR 50 Ca -0.00 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2o5i h THR 50 Cb 1.08 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2o5i h THR 50 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 2o5i n LEU 51 N -2.94 0.00 -1.15 2.58 -0.00 -1.26 -5.02 117.00 109.21 2o5i n LEU 51 Ca 0.01 -0.41 0.07 0.00 -0.00 0.00 0.00 56.01 55.67 2o5i n LEU 51 Cb 0.31 0.66 0.24 0.00 -0.00 0.00 0.00 43.42 44.63 2o5i n LEU 51 CO 0.26 -0.14 0.68 -0.62 -0.00 0.00 0.00 177.39 177.58 2o5i n GLU 52 N -0.12 2.80 0.00 1.47 -0.58 -1.26 -4.63 120.64 118.32 2o5i n GLU 52 Ca -0.01 -1.94 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 2o5i n GLU 52 Cb 0.11 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2o5i n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o5i n GLY 53 N 0.92 -0.06 0.14 0.62 0.00 -1.26 -3.39 105.19 102.16 2o5i n GLY 53 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2o5i n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o5i n LEU 54 N -1.00 0.48 0.10 0.99 0.00 -1.26 -2.20 117.00 114.10 2o5i n LEU 54 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 56.01 56.79 2o5i n LEU 54 Cb 0.37 -0.78 0.29 0.00 0.00 0.00 0.00 43.42 43.31 2o5i n LEU 54 CO 0.00 -0.87 0.70 0.49 0.00 0.00 0.00 177.39 177.70 2o5i n PHE 55 N -2.14 0.36 -0.03 1.96 0.99 -1.22 -3.63 117.46 113.76 2o5i n PHE 55 Ca -0.01 0.19 -0.08 0.00 -0.00 0.00 0.00 57.45 57.55 2o5i n PHE 55 Cb 0.04 -0.70 -0.03 0.00 -1.00 0.00 0.00 39.48 37.79 2o5i n PHE 55 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2o5i n ASP 56 N -1.87 0.98 -1.77 4.37 -0.08 -0.94 -5.01 116.55 112.23 2o5i n ASP 56 Ca -0.01 0.15 -0.04 0.00 -1.51 0.00 0.00 54.79 53.39 2o5i n ASP 56 Cb 0.15 -0.37 0.02 0.00 2.34 0.00 0.00 41.12 43.26 2o5i n ASP 56 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2o5i n ASP 57 N -3.60 -0.74 0.00 1.67 9.92 -1.24 -4.93 116.55 117.63 2o5i n ASP 57 Ca -0.14 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 52.05 2o5i n ASP 57 Cb 0.46 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.24 2o5i n ASP 57 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2o5i n PRO 58 N -0.53 0.00 -3.89 -0.24 -0.02 -1.25 -4.82 135.00 124.24 2o5i n PRO 58 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.94 2o5i n PRO 58 Cb 0.82 -0.18 -0.08 0.00 -0.02 0.00 0.00 33.50 34.04 2o5i n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2o5i s ASN 59 N -1.46 6.07 -0.00 2.55 3.04 -1.26 -5.01 114.94 118.86 2o5i s ASN 59 Ca 0.00 0.27 -0.10 0.00 0.04 0.00 0.00 52.86 53.08 2o5i s ASN 59 Cb 0.00 -2.01 -0.05 0.00 -1.54 0.00 0.00 41.25 37.65 2o5i s ASN 59 CO 0.00 0.27 0.76 0.00 -3.04 0.00 0.00 177.10 175.10 2o5i h ALA 60 N 5.97 -0.71 0.00 1.71 0.00 -1.90 -3.31 119.26 121.02 2o5i h ALA 60 Ca -0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2o5i h ALA 60 Cb 1.18 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2o5i h ALA 60 CO 0.67 -0.69 -0.03 -0.39 0.00 0.00 0.00 179.25 178.81 2o5i h VAL 61 N -0.52 0.20 0.00 0.00 -1.51 -1.86 -1.94 116.25 110.62 2o5i h VAL 61 Ca -0.04 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2o5i h VAL 61 Cb 0.27 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2o5i h VAL 61 CO 0.06 0.03 -0.00 0.74 -1.23 0.00 0.00 177.57 177.17 2o5i h THR 62 N 0.00 0.84 0.02 7.19 2.02 -1.96 0.75 112.91 121.77 2o5i h THR 62 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2o5i h THR 62 Cb 0.23 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2o5i h THR 62 CO 0.00 0.00 -0.01 -0.50 0.37 0.00 0.00 175.52 175.39 2o5i h TRP 63 N 0.00 -0.03 -0.76 3.16 4.06 -1.47 -2.96 115.95 117.95 2o5i h TRP 63 Ca -0.00 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.12 2o5i h TRP 63 Cb 0.01 0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 28.04 2o5i h TRP 63 CO 0.00 0.65 -0.06 0.00 -3.56 0.00 0.00 178.44 175.47 2o5i h ALA 64 N -0.22 0.69 0.26 1.49 0.00 -1.22 0.20 119.26 120.46 2o5i h ALA 64 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2o5i h ALA 64 Cb 0.69 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2o5i h ALA 64 CO 0.01 -0.43 -0.12 0.52 0.00 0.00 0.00 179.25 179.23 2o5i h MET 65 N 0.06 -0.33 -0.10 0.00 2.86 -1.00 0.05 114.93 116.47 2o5i h MET 65 Ca 0.40 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.09 2o5i h MET 65 Cb 0.68 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2o5i h MET 65 CO -0.71 -0.20 0.11 -0.22 1.06 0.00 0.00 176.91 176.94 2o5i h LYS 66 N -0.37 0.00 0.00 1.72 1.63 -0.76 0.02 116.57 118.80 2o5i h LYS 66 Ca -0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2o5i h LYS 66 Cb 0.28 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2o5i h LYS 66 CO 0.06 0.00 -0.12 0.93 -3.45 0.00 0.00 179.45 176.87 2o5i h GLU 67 N 0.00 0.00 -0.26 1.90 5.08 -0.39 -3.33 114.58 117.57 2o5i h GLU 67 Ca 0.05 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2o5i h GLU 67 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2o5i h GLU 67 CO -0.00 0.63 0.23 -0.07 -1.00 0.00 0.00 179.01 178.80 2o5i h LEU 68 N -1.00 0.00 -1.63 1.33 4.07 -0.59 0.42 115.31 117.90 2o5i h LEU 68 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2o5i h LEU 68 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2o5i h LEU 68 CO -0.02 0.00 0.00 0.25 -1.08 0.00 0.00 178.44 177.59 2o5i h LEU 69 N 0.00 0.00-10.26 1.67 5.85 -1.11 -3.42 115.31 108.03 2o5i h LEU 69 Ca 0.12 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.38 2o5i h LEU 69 Cb 0.59 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2o5i h LEU 69 CO -0.00 0.00 -0.19 -0.89 -0.34 0.00 0.00 178.44 177.02 2o5i s THR 70 N -3.71 4.86 -0.42 1.05 2.01 0.15 -5.02 115.64 114.56 2o5i s THR 70 Ca 0.00 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 2o5i s THR 70 Cb 0.10 -3.77 0.28 0.00 0.01 0.00 0.00 72.50 69.11 2o5i s THR 70 CO 0.51 -0.49 2.04 0.61 -0.69 0.00 0.00 174.62 176.59 2o5i n GLY 71 N -1.82 4.60 0.13 4.40 0.00 -1.26 -4.43 105.19 106.81 2o5i n GLY 71 Ca -0.04 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 2o5i n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o5i n ARG 72 N 0.01 0.67 -1.60 1.61 5.12 -1.26 -4.98 116.66 116.23 2o5i n ARG 72 Ca 0.39 0.29 -0.30 0.00 -1.93 0.00 0.00 57.85 56.31 2o5i n ARG 72 Cb 0.60 -1.63 0.10 0.00 -1.16 0.00 0.00 32.46 30.37 2o5i n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2o5i s LEU 73 N -7.12 2.45 -0.10 0.55 1.02 -1.26 -5.07 118.68 109.15 2o5i s LEU 73 Ca -0.30 1.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.99 2o5i s LEU 73 Cb 0.08 -3.70 0.04 0.00 0.02 0.00 0.00 46.19 42.63 2o5i s LEU 73 CO 0.65 -2.08 0.04 -0.69 0.02 0.00 0.00 176.35 174.28 2o5i s VAL 74 N -3.23 0.19 -0.25 -1.59 1.01 -1.26 -5.08 120.40 110.19 2o5i s VAL 74 Ca 0.61 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 2o5i s VAL 74 Cb -0.14 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2o5i s VAL 74 CO 0.53 0.08 -0.06 0.72 0.00 0.00 0.00 175.10 176.38 2o5i s PHE 75 N 2.04 3.06 0.29 5.22 -0.12 -1.26 -5.06 117.98 122.15 2o5i s PHE 75 Ca 0.04 -1.50 0.03 0.00 -0.05 0.00 0.00 56.93 55.44 2o5i s PHE 75 Cb -0.14 -2.07 -0.06 0.00 -0.63 0.00 0.00 43.02 40.13 2o5i s PHE 75 CO -0.06 -0.71 0.08 0.20 -0.05 0.00 0.00 175.22 174.68 2o5i s GLY 76 N 1.34 1.93 0.30 1.99 0.00 -1.26 -5.04 107.32 106.58 2o5i s GLY 76 Ca 0.01 -1.95 0.06 0.00 0.00 0.00 0.00 44.72 42.83 2o5i s GLY 76 CO -0.04 -1.71 1.72 -2.09 0.00 0.00 0.00 173.10 170.98 2o5i h GLU 77 N 2.24 0.28 -1.16 2.90 4.22 -2.05 -3.38 114.58 117.62 2o5i h GLU 77 Ca -0.39 -0.12 -0.25 0.00 0.08 0.00 0.00 59.36 58.68 2o5i h GLU 77 Cb 1.25 -0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 2o5i h GLU 77 CO 0.65 0.61 -0.59 -1.71 -2.18 0.00 0.00 179.01 175.79 2o5i n ASN 78 N -4.06 -2.78 -0.10 1.04 2.85 -1.26 -5.03 115.26 105.92 2o5i n ASN 78 Ca -0.01 -2.86 -0.20 0.00 -0.11 0.00 0.00 54.58 51.40 2o5i n ASN 78 Cb 0.45 1.29 -0.11 0.00 1.24 0.00 0.00 39.78 42.65 2o5i n ASN 78 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2o5i h LEU 79 N 4.98 0.00 -7.44 1.20 5.85 -1.98 -3.47 115.31 114.45 2o5i h LEU 79 Ca 0.08 -0.54 -0.47 0.00 0.84 0.00 0.00 57.88 57.78 2o5i h LEU 79 Cb 1.06 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.70 2o5i h LEU 79 CO 0.12 1.39 -0.77 -0.69 -0.34 0.00 0.00 178.44 178.15 2o5i s VAL 80 N -2.33 0.51 -0.30 1.05 1.01 -1.26 -5.09 120.40 113.99 2o5i s VAL 80 Ca -0.27 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 2o5i s VAL 80 Cb 0.05 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.55 2o5i s VAL 80 CO 0.58 0.12 1.03 -2.65 0.00 0.00 0.00 175.10 174.19 2o5i n PRO 81 N 5.09 0.00 -0.06 2.72 -0.02 -1.26 -4.76 135.00 136.71 2o5i n PRO 81 Ca -0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.39 2o5i n PRO 81 Cb 0.49 -0.90 -0.00 0.00 -0.02 0.00 0.00 33.50 33.07 2o5i n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2o5i n GLU 82 N 2.87 -0.05 -0.06 -0.52 -0.58 -1.26 -1.96 120.64 119.08 2o5i n GLU 82 Ca 0.22 0.24 -0.09 0.00 -0.42 0.00 0.00 57.16 57.11 2o5i n GLU 82 Cb -0.03 -0.36 -0.15 0.00 -0.57 0.00 0.00 31.44 30.33 2o5i n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2o5i n ASP 83 N -4.22 0.45 0.21 1.62 -0.08 -1.26 -4.23 116.55 109.04 2o5i n ASP 83 Ca 0.01 0.21 0.15 0.00 -1.51 0.00 0.00 54.79 53.65 2o5i n ASP 83 Cb 0.05 0.48 0.66 0.00 2.34 0.00 0.00 41.12 44.66 2o5i n ASP 83 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2o5i h ARG 84 N 0.00 0.00 -0.07 -0.67 3.08 -1.75 -3.13 114.38 111.85 2o5i h ARG 84 Ca -0.40 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 2o5i h ARG 84 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.14 2o5i h ARG 84 CO 0.05 0.00 -0.34 1.25 -1.07 0.00 0.00 179.97 179.86 2o5i h LEU 85 N 0.00 0.42 -1.73 3.04 6.46 -1.71 -2.90 115.31 118.90 2o5i h LEU 85 Ca 0.00 -0.65 -0.04 0.00 -0.12 0.00 0.00 57.88 57.08 2o5i h LEU 85 Cb 0.32 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2o5i h LEU 85 CO 0.00 1.00 -0.17 0.06 -0.62 0.00 0.00 178.44 178.71 2o5i h GLN 86 N -0.13 0.00 0.07 1.25 3.07 -1.77 -1.50 115.11 116.10 2o5i h GLN 86 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 2o5i h GLN 86 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.55 2o5i h GLN 86 CO 0.07 0.17 -0.03 -0.22 0.09 0.00 0.00 178.83 178.90 2o5i h LYS 87 N 0.00 -0.09 0.00 0.06 3.64 -1.60 -3.10 116.57 115.48 2o5i h LYS 87 Ca -0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2o5i h LYS 87 Cb 0.41 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2o5i h LYS 87 CO 0.02 0.48 -0.32 0.93 -2.27 0.00 0.00 179.45 178.29 2o5i h GLU 88 N -0.84 0.00 -0.42 1.90 4.39 -1.47 -2.66 114.58 115.48 2o5i h GLU 88 Ca -0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2o5i h GLU 88 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2o5i h GLU 88 CO 0.02 0.32 -0.14 1.98 -1.16 0.00 0.00 179.01 180.02 2o5i h MET 89 N 0.00 0.84 -0.09 2.33 4.05 -1.36 -2.78 114.93 117.92 2o5i h MET 89 Ca -0.00 -0.34 -0.13 0.00 -0.28 0.00 0.00 59.70 58.95 2o5i h MET 89 Cb 0.65 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2o5i h MET 89 CO 0.04 0.98 -0.50 0.93 0.23 0.00 0.00 176.91 178.59 2o5i h GLU 90 N 0.66 0.25 -0.82 0.39 5.08 -1.45 -2.01 114.58 116.68 2o5i h GLU 90 Ca 0.10 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2o5i h GLU 90 Cb 0.69 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2o5i h GLU 90 CO 0.05 0.70 0.43 -0.09 -1.00 0.00 0.00 179.01 179.10 2o5i h ARG 91 N 0.20 1.16 0.00 2.33 2.43 -1.39 -3.30 114.38 115.81 2o5i h ARG 91 Ca 0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2o5i h ARG 91 Cb 0.96 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2o5i h ARG 91 CO 0.08 0.87 -1.02 1.28 -1.51 0.00 0.00 179.97 179.67 2o5i n LEU 92 N -4.37 0.70 -4.04 3.80 4.77 -1.06 -4.90 117.00 111.91 2o5i n LEU 92 Ca 0.08 -0.41 -0.32 0.00 -0.03 0.00 0.00 56.01 55.33 2o5i n LEU 92 Cb 0.11 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 2o5i n LEU 92 CO 0.39 0.18 -0.34 -0.31 -1.33 0.00 0.00 177.39 175.97 2o5i s TYR 93 N -2.80 3.65 0.47 -1.77 1.51 -0.76 -5.07 117.35 112.58 2o5i s TYR 93 Ca 0.04 -2.81 0.15 0.00 -1.01 0.00 0.00 57.07 53.45 2o5i s TYR 93 Cb 0.13 -2.74 1.09 0.00 -0.11 0.00 0.00 41.96 40.33 2o5i s TYR 93 CO 0.74 -0.93 2.04 -1.35 -1.11 0.00 0.00 175.55 174.94 2o5i h PRO 94 N 7.68 0.00 -0.57 -1.71 0.11 -1.84 -3.43 132.00 132.25 2o5i h PRO 94 Ca -0.08 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.19 2o5i h PRO 94 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2o5i h PRO 94 CO 0.52 0.13 0.59 0.28 -0.21 0.00 0.00 178.00 179.31 2o5i h VAL 95 N 0.00 0.32 0.00 3.15 2.07 -1.94 -3.50 116.25 116.36 2o5i h VAL 95 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2o5i h VAL 95 Cb 0.23 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2o5i h VAL 95 CO 0.02 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.99