#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 3.50 0.21 0.00 0.41 -1.26 -5.03 118.70 116.52 2o5i s GLU 3 Ca 0.00 -0.36 -0.32 0.00 -0.41 0.00 0.00 54.97 53.88 2o5i s GLU 3 Cb 0.00 -2.71 -0.14 0.00 -1.78 0.00 0.00 34.13 29.50 2o5i s GLU 3 CO 0.00 0.22 1.44 -2.30 -0.49 0.00 0.00 175.26 174.13 2o5i n PRO 4 N -1.53 2.01 -3.46 0.39 -0.02 -1.26 -3.52 135.00 127.61 2o5i n PRO 4 Ca -0.05 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 62.09 2o5i n PRO 4 Cb 0.56 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.51 -0.08 0.25 -1.23 0.00 -1.26 -4.78 105.19 100.61 2o5i n GLY 5 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 1.84 1.26 0.04 -0.61 6.09 -1.99 -1.10 117.51 123.04 2o5i h ILE 6 Ca -0.09 -1.20 -0.00 0.00 -1.37 0.00 0.00 64.86 62.19 2o5i h ILE 6 Cb 0.19 1.21 0.00 0.00 0.47 0.00 0.00 36.82 38.69 2o5i h ILE 6 CO 0.08 0.39 -0.02 0.44 -3.07 0.00 0.00 178.15 175.97 2o5i h ASP 7 N 0.54 -0.05 -0.48 2.19 3.32 -1.90 0.69 116.42 120.73 2o5i h ASP 7 Ca 0.09 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 2o5i h ASP 7 Cb 0.62 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.09 2o5i h ASP 7 CO 0.04 0.01 -0.18 0.11 -1.72 0.00 0.00 179.24 177.51 2o5i h LYS 8 N -0.10 -0.07 0.31 3.56 1.57 -1.88 0.19 116.57 120.13 2o5i h LYS 8 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2o5i h LYS 8 Cb 0.09 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2o5i h LYS 8 CO 0.01 -0.05 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.39 2o5i h LEU 9 N -0.08 -1.05 -1.03 2.94 3.38 -0.59 -1.86 115.31 117.03 2o5i h LEU 9 Ca 0.23 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.50 2o5i h LEU 9 Cb 0.43 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 2o5i h LEU 9 CO -0.53 -0.51 0.61 -0.26 0.09 0.00 0.00 178.44 177.84 2o5i h PHE 10 N -0.73 1.03 0.00 1.13 0.05 0.95 0.40 116.94 119.77 2o5i h PHE 10 Ca -0.01 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 2o5i h PHE 10 Cb 0.68 -0.31 -0.00 0.00 2.00 0.00 0.00 35.95 38.32 2o5i h PHE 10 CO -0.25 0.19 -0.12 0.78 -0.18 0.00 0.00 178.31 178.73 2o5i h GLY 11 N 0.70 0.00 1.69 -1.45 0.00 0.14 -2.97 103.07 101.18 2o5i h GLY 11 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2o5i h GLY 11 CO -0.40 0.00 -0.10 1.03 0.00 0.00 0.00 176.54 177.07 2o5i n MET 12 N -3.32 0.09 -4.46 4.80 2.81 0.13 -4.85 117.12 112.31 2o5i n MET 12 Ca -0.00 -0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.63 2o5i n MET 12 Cb 0.34 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.92 2.52 0.24 2.03 1.01 -1.12 -5.03 120.40 117.12 2o5i s VAL 13 Ca 0.16 -2.38 0.07 0.00 0.00 0.00 0.00 61.98 59.83 2o5i s VAL 13 Cb 0.19 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2o5i s VAL 13 CO 0.55 -0.39 1.56 -2.24 0.00 0.00 0.00 175.10 174.58 2o5i h ASP 14 N 2.24 0.13 -3.87 3.32 2.03 -1.89 -3.45 116.42 114.93 2o5i h ASP 14 Ca -0.40 -0.08 -0.17 0.00 -0.73 0.00 0.00 57.03 55.64 2o5i h ASP 14 Cb 1.26 -0.04 -0.26 0.00 -0.83 0.00 0.00 39.33 39.46 2o5i h ASP 14 CO 0.60 0.75 -0.48 -0.55 -1.03 0.00 0.00 179.24 178.53 2o5i s SER 15 N -6.87 -0.20 0.17 4.15 0.15 -1.26 -5.07 113.70 104.76 2o5i s SER 15 Ca -0.02 0.38 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 2o5i s SER 15 Cb 0.12 0.41 0.10 0.00 -1.71 0.00 0.00 66.02 64.93 2o5i s SER 15 CO 0.79 -0.09 1.63 0.50 1.20 0.00 0.00 173.24 177.27 2o5i h LYS 16 N 5.74 -0.14 0.00 5.44 3.64 -1.89 -0.78 116.57 128.58 2o5i h LYS 16 Ca -0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2o5i h LYS 16 Cb 1.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2o5i h LYS 16 CO 0.38 -0.09 0.00 1.88 -2.27 0.00 0.00 179.45 179.35 2o5i h TYR 17 N -0.14 0.00 -0.04 1.91 0.05 -2.00 -2.58 116.97 114.17 2o5i h TYR 17 Ca 0.19 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 2o5i h TYR 17 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2o5i h TYR 17 CO -0.45 0.00 -0.28 -0.09 -1.05 0.00 0.00 178.16 176.30 2o5i h ARG 18 N 0.00 0.26 -1.01 4.88 2.43 -1.57 -2.78 114.38 116.59 2o5i h ARG 18 Ca 0.00 -0.22 0.24 0.00 -0.81 0.00 0.00 59.98 59.18 2o5i h ARG 18 Cb 0.26 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.75 2o5i h ARG 18 CO 0.00 0.89 0.62 1.25 -1.51 0.00 0.00 179.97 181.22 2o5i h LEU 19 N -0.30 0.63 -0.39 3.80 5.85 -1.39 0.28 115.31 123.78 2o5i h LEU 19 Ca -0.02 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2o5i h LEU 19 Cb 0.96 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2o5i h LEU 19 CO 0.06 0.15 0.12 0.74 -0.34 0.00 0.00 178.44 179.16 2o5i h THR 20 N 0.57 1.21 -0.23 1.05 2.02 -1.49 -0.83 112.91 115.22 2o5i h THR 20 Ca 0.61 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2o5i h THR 20 Cb 1.22 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2o5i h THR 20 CO -0.39 0.25 0.06 0.58 0.37 0.00 0.00 175.52 176.39 2o5i h VAL 21 N 0.49 0.92 0.66 3.16 2.07 -0.26 -1.66 116.25 121.62 2o5i h VAL 21 Ca 0.13 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2o5i h VAL 21 Cb 0.26 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2o5i h VAL 21 CO -0.00 0.03 -0.48 0.58 0.02 0.00 0.00 177.57 177.71 2o5i h VAL 22 N 0.16 0.04 -0.98 2.57 2.07 -0.79 0.49 116.25 119.82 2o5i h VAL 22 Ca 0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.76 2o5i h VAL 22 Cb 0.08 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 2o5i h VAL 22 CO -0.12 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.67 2o5i h VAL 23 N -1.09 0.85 -0.01 2.57 2.07 -1.11 -0.56 116.25 118.97 2o5i h VAL 23 Ca -0.08 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2o5i h VAL 23 Cb 0.91 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2o5i h VAL 23 CO 0.03 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 2o5i h ALA 24 N 1.58 0.02 0.00 1.67 0.00 -1.04 -2.26 119.26 119.23 2o5i h ALA 24 Ca 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2o5i h ALA 24 Cb 0.65 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2o5i h ALA 24 CO -0.27 -0.20 -0.09 0.87 0.00 0.00 0.00 179.25 179.55 2o5i h LYS 25 N -0.49 0.00 0.11 0.00 1.57 -0.42 -1.97 116.57 115.37 2o5i h LYS 25 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2o5i h LYS 25 Cb 0.55 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.87 2o5i h LYS 25 CO 0.00 0.09 -1.20 -0.09 -0.57 0.00 0.00 179.45 177.69 2o5i h ARG 26 N 0.00 0.44 0.00 3.15 9.65 -1.08 -3.00 114.38 123.54 2o5i h ARG 26 Ca -0.00 -0.62 -0.09 0.00 -1.10 0.00 0.00 59.98 58.17 2o5i h ARG 26 Cb 0.20 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2o5i h ARG 26 CO 0.01 1.26 -0.42 0.00 2.80 0.00 0.00 179.97 183.63 2o5i h ALA 27 N 0.49 1.20 0.46 2.80 0.00 -0.95 -1.21 119.26 122.06 2o5i h ALA 27 Ca -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2o5i h ALA 27 Cb 1.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2o5i h ALA 27 CO 0.21 0.52 -0.22 1.96 0.00 0.00 0.00 179.25 181.72 2o5i h GLN 28 N 0.00 -0.60 -0.29 0.00 4.20 -1.39 -2.84 115.11 114.19 2o5i h GLN 28 Ca -0.00 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2o5i h GLN 28 Cb 0.79 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2o5i h GLN 28 CO 0.05 -0.31 0.19 1.96 -0.67 0.00 0.00 178.83 180.06 2o5i h GLN 29 N -0.83 0.36 -0.87 1.46 4.20 -1.48 -1.67 115.11 116.28 2o5i h GLN 29 Ca -0.06 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.66 2o5i h GLN 29 Cb 0.57 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2o5i h GLN 29 CO 0.10 0.24 0.57 -0.07 -0.67 0.00 0.00 178.83 179.00 2o5i h LEU 30 N 0.37 0.95 0.00 1.46 4.07 -1.05 -3.14 115.31 117.97 2o5i h LEU 30 Ca 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2o5i h LEU 30 Cb -0.00 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 2o5i h LEU 30 CO -0.02 0.66 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.80 2o5i h LEU 31 N 1.11 0.00 0.00 1.67 3.38 -1.14 -2.88 115.31 117.44 2o5i h LEU 31 Ca 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2o5i h LEU 31 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2o5i h LEU 31 CO -0.10 0.67 0.00 -1.14 0.09 0.00 0.00 178.44 177.96 2o5i n ARG 32 N -4.71 0.00 0.00 1.13 0.63 -0.70 -2.08 116.66 110.93 2o5i n ARG 32 Ca -0.04 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 2o5i n ARG 32 Cb 0.15 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 -1.80 0.00 0.00 -0.14 -0.00 -1.19 -4.82 115.22 107.27 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 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 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 2.43 0.00 -1.41 0.00 -0.89 -4.48 105.19 101.02 2o5i n GLY 34 Ca 0.00 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 1.57 0.00 1.48 1.61 7.35 -1.09 -3.23 117.46 125.16 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 -0.05 0.60 0.00 0.35 0.00 0.00 39.48 40.38 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 -1.05 0.96 -0.51 -4.13 4.76 -1.26 -4.53 118.16 112.39 2o5i n LYS 36 Ca 0.21 -0.40 -0.14 0.00 -2.87 0.00 0.00 58.31 55.11 2o5i n LYS 36 Cb 0.12 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 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 -0.67 3.36 -4.69 4.39 4.13 -1.20 -4.83 115.26 115.74 2o5i n ASN 37 Ca 0.16 -2.18 -0.26 0.00 1.68 0.00 0.00 54.58 53.98 2o5i n ASN 37 Cb 0.28 -0.88 -0.09 0.00 -1.54 0.00 0.00 39.78 37.56 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 3.59 2.13 -0.10 3.41 -1.32 -1.26 -4.83 115.64 117.26 2o5i s THR 38 Ca 0.28 -1.83 0.15 0.00 -1.21 0.00 0.00 61.69 59.08 2o5i s THR 38 Cb 0.08 -2.96 0.22 0.00 -1.51 0.00 0.00 72.50 68.34 2o5i s THR 38 CO -0.02 0.00 1.11 1.33 -2.21 0.00 0.00 174.62 174.83 2o5i n VAL 39 N -1.14 1.64 -2.67 5.08 0.24 -1.26 -4.86 118.33 115.36 2o5i n VAL 39 Ca -0.03 -1.93 -0.04 0.00 -2.04 0.00 0.00 64.34 60.29 2o5i n VAL 39 Cb 0.66 -0.07 0.09 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.20 -1.47 -0.06 1.34 -0.00 -1.26 -5.05 117.00 109.30 2o5i n LEU 40 Ca 0.12 -2.86 -0.14 0.00 -0.00 0.00 0.00 56.01 53.13 2o5i n LEU 40 Cb 0.57 0.28 -0.13 0.00 -0.00 0.00 0.00 43.42 44.15 2o5i n LEU 40 CO 0.01 1.63 0.38 1.05 -0.00 0.00 0.00 177.39 180.45 2o5i h GLU 41 N 1.38 0.03 0.00 1.47 9.09 -1.89 -3.42 114.58 121.25 2o5i h GLU 41 Ca -0.36 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.01 2o5i h GLU 41 Cb 1.26 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2o5i h GLU 41 CO -0.12 0.99 0.00 -2.30 0.05 0.00 0.00 179.01 177.63 2o5i n PRO 42 N -4.58 0.00 0.00 1.06 -0.02 -1.26 -4.29 135.00 125.91 2o5i n PRO 42 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2o5i n PRO 42 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 -3.88 -0.52 0.28 -1.26 -4.69 120.64 110.57 2o5i n GLU 43 Ca 0.00 0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.68 2o5i n GLU 43 Cb 0.00 -0.97 -0.11 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.94 3.86 0.36 3.44 2.02 -1.26 -5.07 118.70 121.12 2o5i s GLU 44 Ca 0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 2o5i s GLU 44 Cb 0.00 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.95 2o5i s GLU 44 CO 0.00 0.06 0.59 -2.13 0.02 0.00 0.00 175.26 173.80 2o5i n ARG 45 N 4.19 0.84 -1.61 1.61 0.63 -1.26 -4.79 116.66 116.27 2o5i n ARG 45 Ca -0.16 -2.56 -0.40 0.00 -0.92 0.00 0.00 57.85 53.80 2o5i n ARG 45 Cb 0.52 2.69 0.02 0.00 0.45 0.00 0.00 32.46 36.14 2o5i n ARG 45 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2o5i n PRO 46 N -0.56 1.24 -3.63 -0.14 -0.02 -1.26 -5.04 135.00 125.59 2o5i n PRO 46 Ca -0.03 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 2o5i n PRO 46 Cb 0.58 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.17 0.82 0.37 -0.52 -2.85 -1.26 -4.04 119.74 110.09 2o5i s LYS 47 Ca 0.66 0.99 0.09 0.00 -1.00 0.00 0.00 55.97 56.71 2o5i s LYS 47 Cb -0.52 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 35.57 2o5i s LYS 47 CO 0.55 -0.10 -0.05 1.41 0.10 0.00 0.00 175.35 177.26 2o5i s MET 48 N 0.43 1.89 -0.12 1.78 -2.45 -1.26 -4.84 119.30 114.74 2o5i s MET 48 Ca -0.00 -1.99 0.16 0.00 -1.25 0.00 0.00 55.69 52.61 2o5i s MET 48 Cb -0.05 -1.70 0.26 0.00 1.25 0.00 0.00 34.83 34.59 2o5i s MET 48 CO 0.00 0.07 1.13 1.04 1.05 0.00 0.00 175.02 178.31 2o5i n GLN 49 N -0.88 1.12 0.28 4.11 3.00 -1.26 -4.03 117.38 119.72 2o5i n GLN 49 Ca -0.05 -2.40 0.18 0.00 -0.01 0.00 0.00 57.00 54.71 2o5i n GLN 49 Cb 0.65 -1.37 0.71 0.00 0.00 0.00 0.00 30.24 30.23 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 0.95 0.00 -2.10 5.09 2.02 -2.01 -3.45 112.91 113.41 2o5i h THR 50 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2o5i h THR 50 Cb 1.05 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2o5i h THR 50 CO 0.00 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.96 2o5i n LEU 51 N -3.07 0.00 -1.29 2.58 -0.00 -1.26 -5.02 117.00 108.93 2o5i n LEU 51 Ca 0.00 -0.48 0.06 0.00 -0.00 0.00 0.00 56.01 55.60 2o5i n LEU 51 Cb 0.29 0.74 0.27 0.00 -0.00 0.00 0.00 43.42 44.72 2o5i n LEU 51 CO 0.27 -0.16 0.69 -0.62 -0.00 0.00 0.00 177.39 177.57 2o5i n GLU 52 N -0.12 3.18 0.01 1.47 -0.58 -1.26 -4.63 120.64 118.72 2o5i n GLU 52 Ca -0.01 -2.10 0.00 0.00 -0.42 0.00 0.00 57.16 54.63 2o5i n GLU 52 Cb 0.12 -1.81 0.01 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.77 -0.12 0.13 0.62 0.00 -1.26 -3.42 105.19 101.92 2o5i n GLY 53 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.15 0.45 0.13 0.99 0.00 -1.26 -2.04 117.00 114.11 2o5i n LEU 54 Ca -0.00 0.70 0.07 0.00 0.00 0.00 0.00 56.01 56.78 2o5i n LEU 54 Cb 0.42 -0.76 0.37 0.00 0.00 0.00 0.00 43.42 43.46 2o5i n LEU 54 CO 0.00 -0.85 0.75 0.49 0.00 0.00 0.00 177.39 177.77 2o5i n PHE 55 N -2.10 0.46 -0.04 1.96 0.99 -1.22 -3.60 117.46 113.91 2o5i n PHE 55 Ca -0.01 0.24 -0.09 0.00 -0.00 0.00 0.00 57.45 57.60 2o5i n PHE 55 Cb 0.04 -0.79 -0.03 0.00 -1.00 0.00 0.00 39.48 37.71 2o5i n PHE 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2o5i n ASP 56 N -1.99 1.44 -2.20 4.37 8.00 -0.87 -5.01 116.55 120.29 2o5i n ASP 56 Ca -0.01 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 2o5i n ASP 56 Cb 0.16 -0.53 0.06 0.00 -0.02 0.00 0.00 41.12 40.79 2o5i n ASP 56 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2o5i n ASP 57 N -3.94 -0.79 0.00 -2.24 9.92 -1.24 -4.93 116.55 113.33 2o5i n ASP 57 Ca -0.15 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 2o5i n ASP 57 Cb 0.42 0.38 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 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 -0.92 0.00 -3.71 -0.24 -0.02 -1.25 -4.84 135.00 124.02 2o5i n PRO 58 Ca -0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 2o5i n PRO 58 Cb 0.84 -0.17 -0.07 0.00 -0.02 0.00 0.00 33.50 34.08 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 -1.42 6.40 -0.01 2.55 3.04 -1.26 -5.02 114.94 119.23 2o5i s ASN 59 Ca 0.00 0.47 -0.06 0.00 0.04 0.00 0.00 52.86 53.31 2o5i s ASN 59 Cb 0.00 -2.12 -0.03 0.00 -1.54 0.00 0.00 41.25 37.55 2o5i s ASN 59 CO 0.00 0.26 0.60 0.00 -3.04 0.00 0.00 177.10 174.91 2o5i h ALA 60 N 5.85 -0.56 0.00 1.71 0.00 -1.90 -3.32 119.26 121.03 2o5i h ALA 60 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2o5i h ALA 60 Cb 1.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2o5i h ALA 60 CO 0.68 -0.55 0.00 -0.39 0.00 0.00 0.00 179.25 178.99 2o5i h VAL 61 N -0.38 0.00 0.00 0.00 -1.51 -1.86 -1.69 116.25 110.81 2o5i h VAL 61 Ca -0.02 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 2o5i h VAL 61 Cb 0.17 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2o5i h VAL 61 CO 0.04 0.00 -0.07 0.74 -1.23 0.00 0.00 177.57 177.05 2o5i h THR 62 N 0.00 0.66 0.00 7.19 2.02 -1.96 0.82 112.91 121.63 2o5i h THR 62 Ca 0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2o5i h THR 62 Cb 0.19 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2o5i h THR 62 CO 0.00 0.07 -0.07 -0.50 0.37 0.00 0.00 175.52 175.39 2o5i h TRP 63 N 0.00 0.00 -0.77 3.16 4.06 -1.44 -3.00 115.95 117.96 2o5i h TRP 63 Ca -0.00 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.13 2o5i h TRP 63 Cb 0.17 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.20 2o5i h TRP 63 CO 0.00 0.90 0.07 0.00 -3.56 0.00 0.00 178.44 175.86 2o5i h ALA 64 N -0.15 0.90 0.38 1.49 0.00 -1.20 0.14 119.26 120.81 2o5i h ALA 64 Ca -0.02 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2o5i h ALA 64 Cb 0.90 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2o5i h ALA 64 CO -0.01 -0.42 -0.18 0.52 0.00 0.00 0.00 179.25 179.16 2o5i h MET 65 N 0.15 -0.49 -0.19 0.00 2.86 -0.99 0.10 114.93 116.37 2o5i h MET 65 Ca 0.44 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.17 2o5i h MET 65 Cb 0.79 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2o5i h MET 65 CO -0.64 -0.32 0.19 -0.22 1.06 0.00 0.00 176.91 176.98 2o5i h LYS 66 N -0.52 0.00 0.00 1.72 1.63 -0.90 -0.11 116.57 118.39 2o5i h LYS 66 Ca -0.05 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2o5i h LYS 66 Cb 0.39 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2o5i h LYS 66 CO 0.09 0.00 -0.25 0.93 -3.45 0.00 0.00 179.45 176.76 2o5i h GLU 67 N 0.00 0.00 -0.28 1.90 5.08 -0.45 -3.34 114.58 117.49 2o5i h GLU 67 Ca 0.09 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2o5i h GLU 67 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2o5i h GLU 67 CO -0.00 0.62 0.25 -0.07 -1.00 0.00 0.00 179.01 178.81 2o5i h LEU 68 N -1.00 0.00 -1.45 1.33 4.07 -0.66 0.52 115.31 118.12 2o5i h LEU 68 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2o5i h LEU 68 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2o5i h LEU 68 CO -0.03 0.00 0.00 0.25 -1.08 0.00 0.00 178.44 177.58 2o5i h LEU 69 N 0.00 0.00-10.31 1.67 6.46 -1.13 -3.42 115.31 108.57 2o5i h LEU 69 Ca 0.13 0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.43 2o5i h LEU 69 Cb 0.63 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2o5i h LEU 69 CO -0.00 0.00 -0.12 -0.89 -0.62 0.00 0.00 178.44 176.80 2o5i s THR 70 N -3.64 4.42 -0.41 1.05 2.01 0.18 -5.02 115.64 114.23 2o5i s THR 70 Ca 0.01 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 2o5i s THR 70 Cb 0.09 -3.62 0.34 0.00 0.01 0.00 0.00 72.50 69.31 2o5i s THR 70 CO 0.48 -0.43 1.93 0.61 -0.69 0.00 0.00 174.62 176.52 2o5i n GLY 71 N -1.98 4.50 0.13 4.40 0.00 -1.26 -4.45 105.19 106.53 2o5i n GLY 71 Ca -0.01 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.24 0.66 -1.41 1.61 5.12 -1.26 -4.98 116.66 116.17 2o5i n ARG 72 Ca 0.42 0.30 -0.29 0.00 -1.93 0.00 0.00 57.85 56.35 2o5i n ARG 72 Cb 0.77 -1.64 0.14 0.00 -1.16 0.00 0.00 32.46 30.57 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 -7.17 2.04 -0.11 0.55 1.02 -1.26 -5.06 118.68 108.68 2o5i s LEU 73 Ca -0.30 1.14 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 2o5i s LEU 73 Cb 0.08 -3.50 0.04 0.00 0.02 0.00 0.00 46.19 42.84 2o5i s LEU 73 CO 0.64 -2.60 0.05 -0.69 0.02 0.00 0.00 176.35 173.77 2o5i s VAL 74 N -3.14 0.16 -0.25 -1.59 1.01 -1.26 -5.08 120.40 110.24 2o5i s VAL 74 Ca 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2o5i s VAL 74 Cb -0.16 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.73 2o5i s VAL 74 CO 0.55 0.02 -0.07 0.72 0.00 0.00 0.00 175.10 176.33 2o5i s PHE 75 N 2.05 3.11 0.32 5.22 -0.12 -1.26 -5.05 117.98 122.24 2o5i s PHE 75 Ca 0.03 -1.72 0.03 0.00 -0.05 0.00 0.00 56.93 55.22 2o5i s PHE 75 Cb -0.14 -2.04 -0.05 0.00 -0.63 0.00 0.00 43.02 40.16 2o5i s PHE 75 CO -0.06 -0.77 0.09 0.20 -0.05 0.00 0.00 175.22 174.63 2o5i s GLY 76 N 1.28 2.07 0.29 1.99 0.00 -1.26 -5.04 107.32 106.65 2o5i s GLY 76 Ca -0.02 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.90 2o5i s GLY 76 CO -0.05 -1.74 1.73 0.83 0.00 0.00 0.00 173.10 173.88 2o5i h GLU 77 N 2.14 0.44 -1.27 2.90 4.39 -2.05 -3.39 114.58 117.75 2o5i h GLU 77 Ca -0.39 -0.17 -0.21 0.00 0.34 0.00 0.00 59.36 58.94 2o5i h GLU 77 Cb 1.25 -0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.66 2o5i h GLU 77 CO 0.64 0.67 -0.56 -0.80 -1.16 0.00 0.00 179.01 177.79 2o5i s ASN 78 N -6.82 -0.84 -0.21 1.42 0.01 -1.26 -5.03 114.94 102.21 2o5i s ASN 78 Ca -0.07 -1.65 -0.20 0.00 -0.71 0.00 0.00 52.86 50.24 2o5i s ASN 78 Cb 0.14 1.49 -0.18 0.00 0.41 0.00 0.00 41.25 43.11 2o5i s ASN 78 CO 0.78 -0.12 0.14 -0.11 -1.51 0.00 0.00 177.10 176.29 2o5i n LEU 79 N 3.44 1.86 -3.77 0.60 7.94 -1.26 -4.91 117.00 120.90 2o5i n LEU 79 Ca 0.17 0.43 -0.24 0.00 -1.11 0.00 0.00 56.01 55.26 2o5i n LEU 79 Cb 0.54 -0.95 -0.17 0.00 0.53 0.00 0.00 43.42 43.37 2o5i n LEU 79 CO 0.01 0.26 -0.38 -0.69 -1.11 0.00 0.00 177.39 175.48 2o5i s VAL 80 N -2.37 0.43 -0.30 1.96 1.01 -1.26 -5.09 120.40 114.78 2o5i s VAL 80 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2o5i s VAL 80 Cb 0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 36.38 35.70 2o5i s VAL 80 CO 0.56 0.20 1.06 -2.65 0.00 0.00 0.00 175.10 174.27 2o5i n PRO 81 N 5.12 0.00 -0.03 2.72 -0.02 -1.26 -4.75 135.00 136.79 2o5i n PRO 81 Ca -0.08 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2o5i n PRO 81 Cb 0.50 -0.89 -0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 3.08 -0.02 -0.04 -0.52 -0.58 -1.26 -2.07 120.64 119.22 2o5i n GLU 82 Ca 0.23 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 2o5i n GLU 82 Cb -0.03 -0.15 -0.14 0.00 -0.57 0.00 0.00 31.44 30.55 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 -4.09 1.25 0.20 1.62 -0.08 -1.26 -4.22 116.55 109.96 2o5i n ASP 83 Ca 0.00 0.20 0.14 0.00 -1.51 0.00 0.00 54.79 53.63 2o5i n ASP 83 Cb 0.02 -0.17 0.66 0.00 2.34 0.00 0.00 41.12 43.98 2o5i n ASP 83 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2o5i h ARG 84 N 0.02 0.00 -0.07 -0.67 2.43 -1.77 -3.04 114.38 111.28 2o5i h ARG 84 Ca -0.41 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.67 2o5i h ARG 84 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2o5i h ARG 84 CO 0.05 0.00 -0.31 1.25 -1.51 0.00 0.00 179.97 179.45 2o5i h LEU 85 N 0.00 0.40 -1.72 3.80 6.46 -1.71 -2.92 115.31 119.62 2o5i h LEU 85 Ca 0.00 -0.64 -0.04 0.00 -0.12 0.00 0.00 57.88 57.09 2o5i h LEU 85 Cb 0.24 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2o5i h LEU 85 CO 0.00 0.97 -0.17 0.06 -0.62 0.00 0.00 178.44 178.68 2o5i h GLN 86 N -0.15 0.00 0.12 1.25 3.07 -1.76 -1.50 115.11 116.14 2o5i h GLN 86 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2o5i h GLN 86 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 2o5i h GLN 86 CO 0.06 0.17 -0.06 -0.22 0.09 0.00 0.00 178.83 178.88 2o5i h LYS 87 N 0.00 -0.15 0.00 0.06 3.64 -1.57 -3.07 116.57 115.47 2o5i h LYS 87 Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2o5i h LYS 87 Cb 0.41 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2o5i h LYS 87 CO 0.02 0.32 -0.30 0.93 -2.27 0.00 0.00 179.45 178.16 2o5i h GLU 88 N -0.87 0.00 -0.39 1.90 4.39 -1.49 -2.56 114.58 115.56 2o5i h GLU 88 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2o5i h GLU 88 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2o5i h GLU 88 CO 0.03 0.30 -0.33 1.98 -1.16 0.00 0.00 179.01 179.83 2o5i h MET 89 N 0.00 0.91 -0.12 2.33 4.05 -1.36 -2.84 114.93 117.90 2o5i h MET 89 Ca -0.00 -0.46 -0.12 0.00 -0.28 0.00 0.00 59.70 58.84 2o5i h MET 89 Cb 0.62 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2o5i h MET 89 CO 0.04 1.11 -0.45 0.93 0.23 0.00 0.00 176.91 178.77 2o5i h GLU 90 N 0.73 0.29 -0.49 0.39 5.08 -1.42 -2.08 114.58 117.07 2o5i h GLU 90 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2o5i h GLU 90 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2o5i h GLU 90 CO 0.08 0.68 0.30 -0.09 -1.00 0.00 0.00 179.01 178.99 2o5i h ARG 91 N 0.23 0.66 0.00 2.33 2.43 -1.40 -3.30 114.38 115.33 2o5i h ARG 91 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2o5i h ARG 91 Cb 0.89 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2o5i h ARG 91 CO 0.07 0.47 -1.10 1.28 -1.51 0.00 0.00 179.97 179.18 2o5i n LEU 92 N -4.71 0.90 -4.05 3.80 4.77 -1.08 -4.91 117.00 111.72 2o5i n LEU 92 Ca 0.02 -0.45 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 2o5i n LEU 92 Cb 0.04 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 2o5i n LEU 92 CO 0.35 0.22 -0.32 -0.31 -1.33 0.00 0.00 177.39 176.01 2o5i s TYR 93 N -3.05 3.66 0.31 -1.77 1.51 -0.79 -5.08 117.35 112.15 2o5i s TYR 93 Ca 0.06 -2.80 0.02 0.00 -1.01 0.00 0.00 57.07 53.35 2o5i s TYR 93 Cb 0.16 -2.82 0.57 0.00 -0.11 0.00 0.00 41.96 39.75 2o5i s TYR 93 CO 0.87 -0.94 1.91 -1.35 -1.11 0.00 0.00 175.55 174.93 2o5i h PRO 94 N 7.71 0.95 -0.37 -1.71 0.11 -1.85 -3.43 132.00 133.41 2o5i h PRO 94 Ca -0.08 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.08 2o5i h PRO 94 Cb 1.03 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2o5i h PRO 94 CO 0.54 0.63 0.58 0.28 -0.21 0.00 0.00 178.00 179.82 2o5i h VAL 95 N 0.98 0.19 0.00 3.15 2.07 -1.93 -3.50 116.25 117.20 2o5i h VAL 95 Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 2o5i h VAL 95 Cb 0.25 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2o5i h VAL 95 CO -0.15 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.82