#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 0.61 -3.74 3.17 2.03 -1.26 -4.98 116.55 112.37 2k9a n ASP 2 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2k9a n ASP 2 Cb 0.00 1.09 -0.11 0.00 -0.72 0.00 0.00 41.12 41.38 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a s ALA 3 N -2.58 -0.81 0.34 -1.67 0.00 -1.26 -5.14 121.76 110.64 2k9a s ALA 3 Ca -0.09 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2k9a s ALA 3 Cb 0.06 -0.64 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 2k9a s ALA 3 CO 0.74 -0.19 1.52 1.47 0.00 0.00 0.00 175.76 179.31 2k9a n LEU 4 N 3.43 4.50 0.00 0.00 -0.00 -1.26 -4.73 117.00 118.94 2k9a n LEU 4 Ca -0.17 1.19 0.10 0.00 -0.00 0.00 0.00 56.01 57.13 2k9a n LEU 4 Cb 0.56 -1.60 -0.03 0.00 -0.00 0.00 0.00 43.42 42.36 2k9a n LEU 4 CO 0.14 0.11 -0.14 -0.62 -0.00 0.00 0.00 177.39 176.87 2k9a n GLU 5 N 1.20 -1.55 0.00 1.47 4.71 -1.26 -5.05 120.64 120.15 2k9a n GLU 5 Ca 0.05 1.02 0.00 0.00 -0.01 0.00 0.00 57.16 58.22 2k9a n GLU 5 Cb 0.38 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k9a n GLY 6 N -2.27 2.27 3.33 0.62 0.00 -1.26 -5.01 105.19 102.87 2k9a n GLY 6 Ca 0.01 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2k9a n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k9a s GLU 7 N 1.21 1.80 -0.05 1.61 -1.05 -1.26 -5.12 118.70 115.83 2k9a s GLU 7 Ca 0.00 -2.06 -0.30 0.00 -0.15 0.00 0.00 54.97 52.46 2k9a s GLU 7 Cb 0.00 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 2k9a s GLU 7 CO 0.00 -0.63 1.20 -1.54 0.95 0.00 0.00 175.26 175.24 2k9a s SER 8 N -3.42 7.06 0.86 0.83 1.04 -1.26 -5.03 113.70 113.78 2k9a s SER 8 Ca 0.37 1.83 -0.12 0.00 0.48 0.00 0.00 55.95 58.51 2k9a s SER 8 Cb 0.02 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2k9a s SER 8 CO 0.25 -0.57 1.13 -0.36 0.98 0.00 0.00 173.24 174.67 2k9a s PHE 9 N 2.12 2.68 0.31 5.02 0.40 -1.26 -5.09 117.98 122.16 2k9a s PHE 9 Ca 0.56 0.93 0.04 0.00 -0.60 0.00 0.00 56.93 57.86 2k9a s PHE 9 Cb -0.25 -3.32 -0.01 0.00 0.51 0.00 0.00 43.02 39.95 2k9a s PHE 9 CO 0.23 -2.09 0.33 0.00 0.70 0.00 0.00 175.22 174.39 2k9a n ALA 10 N -3.59 0.31 -1.76 5.36 0.00 -1.26 -5.14 120.51 114.44 2k9a n ALA 10 Ca 0.07 -1.70 -0.40 0.00 0.00 0.00 0.00 53.44 51.41 2k9a n ALA 10 Cb 0.59 1.37 0.03 0.00 0.00 0.00 0.00 19.45 21.44 2k9a n ALA 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k9a n LEU 11 N 0.00 5.21 -4.64 0.00 -0.00 -1.26 -4.92 117.00 111.40 2k9a n LEU 11 Ca 0.05 1.08 -0.43 0.00 -0.00 0.00 0.00 56.01 56.71 2k9a n LEU 11 Cb 0.56 -1.59 -0.02 0.00 -0.00 0.00 0.00 43.42 42.36 2k9a n LEU 11 CO 0.28 -0.29 1.09 -0.44 -0.00 0.00 0.00 177.39 178.03 2k9a s SER 12 N -0.60 6.76 0.00 1.45 0.01 -1.26 -4.64 113.70 115.43 2k9a s SER 12 Ca 0.64 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2k9a s SER 12 Cb -0.44 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2k9a s SER 12 CO 0.55 -1.00 0.00 0.33 0.41 0.00 0.00 173.24 173.53 2k9a n PHE 13 N 7.35 0.00 -3.55 2.43 7.35 -1.26 -4.66 117.46 125.11 2k9a n PHE 13 Ca 0.14 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 2k9a n PHE 13 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2k9a n PHE 13 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k9a n SER 14 N 2.05 -0.83 0.02 -2.13 7.64 -1.26 -5.10 113.62 114.01 2k9a n SER 14 Ca 0.00 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.11 2k9a n SER 14 Cb 0.00 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k9a n SER 15 N -1.55 0.32 0.00 6.43 7.64 -1.26 -4.57 113.62 120.63 2k9a n SER 15 Ca -0.02 0.06 0.08 0.00 1.01 0.00 0.00 58.87 60.00 2k9a n SER 15 Cb 0.26 -0.08 0.40 0.00 -1.01 0.00 0.00 64.21 63.78 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a n ALA 16 N -3.13 1.90 -0.55 -0.43 0.00 -1.26 -1.83 120.51 115.21 2k9a n ALA 16 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k9a n ALA 16 Cb 0.30 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2k9a n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k9a n SER 17 N -1.25 0.00 0.00 0.00 2.88 -1.26 -4.83 113.62 109.16 2k9a n SER 17 Ca 0.08 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2k9a n SER 17 Cb 0.12 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2k9a n SER 17 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k9a n ASP 18 N -1.27 0.00 0.23 -3.46 5.68 -1.25 -4.92 116.55 111.55 2k9a n ASP 18 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2k9a n ASP 18 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k9a h ALA 19 N 0.00 -0.61 -0.13 2.12 0.00 -1.88 -2.11 119.26 116.64 2k9a h ALA 19 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 2k9a h ALA 19 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k9a h ALA 19 CO 0.00 -0.65 -0.77 1.49 0.00 0.00 0.00 179.25 179.32 2k9a h GLU 20 N -1.01 0.76 0.14 0.00 4.57 -1.80 -2.53 114.58 114.71 2k9a h GLU 20 Ca -0.06 -0.64 0.02 0.00 -1.18 0.00 0.00 59.36 57.50 2k9a h GLU 20 Cb 0.57 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 2k9a h GLU 20 CO 0.10 1.24 -0.30 0.35 -1.18 0.00 0.00 179.01 179.23 2k9a h PHE 21 N 0.48 -0.81 -0.69 0.92 3.04 -1.47 -1.44 116.94 116.97 2k9a h PHE 21 Ca -0.06 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 2k9a h PHE 21 Cb 1.41 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 40.22 2k9a h PHE 21 CO 0.09 -0.41 0.42 -0.44 -2.02 0.00 0.00 178.31 175.96 2k9a h ASP 22 N -0.53 0.82 -0.62 0.41 5.19 -1.46 -2.19 116.42 118.03 2k9a h ASP 22 Ca 0.03 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.48 2k9a h ASP 22 Cb 0.55 -0.21 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 2k9a h ASP 22 CO -0.16 0.63 0.26 0.00 -3.12 0.00 0.00 179.24 176.85 2k9a h ALA 23 N 1.52 0.82 -0.70 3.45 0.00 -0.89 -1.11 119.26 122.35 2k9a h ALA 23 Ca 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2k9a h ALA 23 Cb -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 23 CO -0.05 -0.14 0.35 0.28 0.00 0.00 0.00 179.25 179.69 2k9a h VAL 24 N 0.47 1.23 -0.99 0.00 2.07 -0.67 -2.32 116.25 116.04 2k9a h VAL 24 Ca 0.31 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2k9a h VAL 24 Cb 0.35 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 2k9a h VAL 24 CO -0.28 0.26 0.63 0.58 0.02 0.00 0.00 177.57 178.78 2k9a h VAL 25 N 0.97 0.95 -0.09 2.57 2.07 -0.91 -1.51 116.25 120.29 2k9a h VAL 25 Ca 0.24 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2k9a h VAL 25 Cb 0.09 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 2k9a h VAL 25 CO -0.03 0.18 0.04 1.23 0.02 0.00 0.00 177.57 179.01 2k9a h GLY 26 N 0.99 0.15 1.12 2.17 0.00 -0.81 -2.52 103.07 104.17 2k9a h GLY 26 Ca 0.48 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.81 2k9a h GLY 26 CO -0.24 0.07 0.40 -0.97 0.00 0.00 0.00 176.54 175.80 2k9a h TYR 27 N 0.01 0.50 -0.26 5.60 0.05 -1.08 -1.77 116.97 120.02 2k9a h TYR 27 Ca 0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.15 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2k9a h TYR 27 CO -0.02 0.25 0.12 -0.07 -1.05 0.00 0.00 178.16 177.40 2k9a h LEU 28 N 0.49 0.34 -1.14 3.88 3.38 -0.90 -2.45 115.31 118.91 2k9a h LEU 28 Ca 0.27 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 28 Cb 0.41 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2k9a h LEU 28 CO -0.08 0.37 0.59 -0.33 0.09 0.00 0.00 178.44 179.08 2k9a h GLU 29 N 0.28 1.06 -0.31 1.13 5.08 -0.97 -1.13 114.58 119.73 2k9a h GLU 29 Ca 0.09 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 29 Cb 0.12 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k9a h GLU 29 CO -0.01 0.70 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.24 2k9a h ASP 30 N 1.09 0.45 -0.29 1.42 3.32 -1.15 -2.11 116.42 119.15 2k9a h ASP 30 Ca 0.37 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 57.15 2k9a h ASP 30 Cb 0.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2k9a h ASP 30 CO -0.12 0.53 -0.54 0.40 -1.72 0.00 0.00 179.24 177.79 2k9a h ILE 31 N 0.46 1.27 -0.24 0.35 2.04 -0.77 -2.43 117.51 118.19 2k9a h ILE 31 Ca 0.10 -1.72 -0.08 0.00 1.00 0.00 0.00 64.86 64.15 2k9a h ILE 31 Cb 0.33 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2k9a h ILE 31 CO 0.01 0.56 -0.20 0.40 0.00 0.00 0.00 178.15 178.93 2k9a h ILE 32 N 0.68 1.24 -0.48 -0.67 2.04 -1.06 -2.27 117.51 116.99 2k9a h ILE 32 Ca 0.02 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2k9a h ILE 32 Cb 1.15 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2k9a h ILE 32 CO 0.12 0.36 0.00 0.23 0.00 0.00 0.00 178.15 178.86 2k9a n MET 33 N -4.17 2.47 -2.58 2.37 2.81 -0.82 -4.76 117.12 112.44 2k9a n MET 33 Ca -0.00 -1.88 -0.41 0.00 -1.81 0.00 0.00 57.70 53.60 2k9a n MET 33 Cb 0.36 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k9a s ASP 34 N -0.91 7.34 0.11 7.83 2.15 -0.85 -4.96 116.67 127.37 2k9a s ASP 34 Ca 0.34 1.99 -0.26 0.00 0.43 0.00 0.00 52.55 55.06 2k9a s ASP 34 Cb 0.20 -2.60 -0.09 0.00 -0.30 0.00 0.00 42.92 40.13 2k9a s ASP 34 CO 0.21 -0.18 1.66 0.44 -0.17 0.00 0.00 175.17 177.13 2k9a h ASP 35 N 5.32 -0.53 -0.07 -0.34 3.32 -1.90 -1.23 116.42 120.99 2k9a h ASP 35 Ca -0.44 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.70 2k9a h ASP 35 Cb 1.21 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 2k9a h ASP 35 CO 0.73 -0.27 0.09 -0.08 -1.72 0.00 0.00 179.24 177.98 2k9a h GLU 36 N -0.36 0.00 0.00 3.56 4.57 -1.95 -0.65 114.58 119.75 2k9a h GLU 36 Ca 0.03 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 2k9a h GLU 36 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k9a h GLU 36 CO -0.11 0.00 -0.88 0.35 -1.18 0.00 0.00 179.01 177.19 2k9a h PHE 37 N 0.00 0.35 0.19 0.92 3.57 -1.53 -2.45 116.94 117.99 2k9a h PHE 37 Ca 0.04 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2k9a h PHE 37 Cb 0.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2k9a h PHE 37 CO 0.00 1.00 -0.09 1.96 -2.23 0.00 0.00 178.31 178.95 2k9a h GLN 38 N 0.13 -0.24 -0.66 1.11 1.08 -0.38 -0.52 115.11 115.64 2k9a h GLN 38 Ca -0.05 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2k9a h GLN 38 Cb 1.51 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.97 2k9a h GLN 38 CO 0.14 0.13 0.31 1.25 -0.95 0.00 0.00 178.83 179.71 2k9a h LEU 39 N -0.67 0.86 -0.45 1.46 6.46 -1.59 -1.98 115.31 119.39 2k9a h LEU 39 Ca -0.03 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.54 2k9a h LEU 39 Cb 0.48 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 2k9a h LEU 39 CO 0.04 0.76 0.03 0.25 -0.62 0.00 0.00 178.44 178.90 2k9a h LEU 40 N 0.91 0.76 0.36 2.25 6.46 -1.48 -1.45 115.31 123.12 2k9a h LEU 40 Ca 0.23 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2k9a h LEU 40 Cb 0.12 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2k9a h LEU 40 CO -0.03 0.86 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.86 2k9a h GLN 41 N 0.63 -0.47 -0.22 1.25 4.15 -0.89 -2.57 115.11 117.00 2k9a h GLN 41 Ca 0.13 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2k9a h GLN 41 Cb 0.45 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2k9a h GLN 41 CO 0.02 -0.30 -0.03 0.00 -1.93 0.00 0.00 178.83 176.59 2k9a h ARG 42 N -0.50 0.33 -0.15 1.69 3.08 -1.38 -0.60 114.38 116.85 2k9a h ARG 42 Ca -0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2k9a h ARG 42 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2k9a h ARG 42 CO 0.08 0.38 0.09 -0.91 -1.07 0.00 0.00 179.97 178.54 2k9a h ASN 43 N 0.32 0.18 0.10 7.04 2.35 -0.99 -1.88 115.58 122.70 2k9a h ASN 43 Ca 0.07 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 2k9a h ASN 43 Cb 0.26 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.61 2k9a h ASN 43 CO 0.01 0.17 -0.90 -0.26 -1.65 0.00 0.00 177.43 174.80 2k9a h PHE 44 N 0.17 0.71 -0.14 1.19 -1.00 -1.29 -3.24 116.94 113.34 2k9a h PHE 44 Ca 0.05 -0.46 0.04 0.00 2.81 0.00 0.00 57.97 60.42 2k9a h PHE 44 Cb 0.02 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 2k9a h PHE 44 CO -0.05 1.32 0.18 0.52 -1.61 0.00 0.00 178.31 178.67 2k9a h MET 45 N -0.10 0.00 -0.07 1.51 2.86 -1.11 0.29 114.93 118.31 2k9a h MET 45 Ca -0.14 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2k9a h MET 45 Cb 1.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 2k9a h MET 45 CO 0.17 0.00 -0.18 0.22 1.06 0.00 0.00 176.91 178.18 2k9a h ASP 46 N 0.00 0.11 0.15 1.22 3.58 -1.36 -2.08 116.42 118.05 2k9a h ASP 46 Ca 0.07 -0.02 -0.36 0.00 0.42 0.00 0.00 57.03 57.14 2k9a h ASP 46 Cb 0.43 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2k9a h ASP 46 CO -0.00 0.30 -2.07 0.29 -2.88 0.00 0.00 179.24 174.89 2k9a n LYS 47 N -4.27 0.72 -0.06 0.28 4.01 0.01 -4.15 118.16 114.70 2k9a n LYS 47 Ca -0.02 0.23 -0.10 0.00 -0.51 0.00 0.00 58.31 57.92 2k9a n LYS 47 Cb 0.28 -1.68 -0.03 0.00 -0.51 0.00 0.00 35.03 33.09 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 2k9a h TYR 48 N 0.04 0.30 0.00 2.13 -1.99 -1.28 -2.00 116.97 114.17 2k9a h TYR 48 Ca -0.44 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2k9a h TYR 48 Cb 2.02 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.65 2k9a h TYR 48 CO 0.05 0.23 0.00 0.10 -0.00 0.00 0.00 178.16 178.55 2k9a h TYR 49 N 0.28 0.00 0.10 4.88 -0.00 -1.58 -1.90 116.97 118.75 2k9a h TYR 49 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.65 2k9a h TYR 49 Cb 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.76 2k9a h TYR 49 CO -0.05 0.00 -0.74 -0.07 -0.00 0.00 0.00 178.16 177.30 2k9a h LEU 50 N 0.00 0.34 -0.79 0.10 3.38 -1.53 -3.34 115.31 113.47 2k9a h LEU 50 Ca 0.00 -0.93 -0.11 0.00 0.09 0.00 0.00 57.88 56.92 2k9a h LEU 50 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k9a h LEU 50 CO 0.00 1.35 -0.29 -0.33 0.09 0.00 0.00 178.44 179.26 2k9a h GLU 51 N -0.51 0.59 -6.00 1.13 4.39 -1.12 -3.38 114.58 109.67 2k9a h GLU 51 Ca -0.14 -0.25 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 2k9a h GLU 51 Cb 1.52 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 30.06 2k9a h GLU 51 CO 0.10 0.81 1.57 -0.06 -1.16 0.00 0.00 179.01 180.27 2k9a s PHE 52 N -4.46 2.50 -0.06 4.33 0.40 -0.75 -4.97 117.98 114.97 2k9a s PHE 52 Ca -0.08 -0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 55.30 2k9a s PHE 52 Cb 0.13 -4.63 -0.05 0.00 0.51 0.00 0.00 43.02 38.98 2k9a s PHE 52 CO 0.81 -1.87 0.29 -1.21 0.70 0.00 0.00 175.22 173.94 2k9a s GLU 53 N 5.04 3.75 -0.72 0.44 2.02 -1.26 -4.89 118.70 123.09 2k9a s GLU 53 Ca 0.51 0.17 -0.26 0.00 0.02 0.00 0.00 54.97 55.40 2k9a s GLU 53 Cb 0.00 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 2k9a s GLU 53 CO -0.05 0.69 2.03 0.16 0.02 0.00 0.00 175.26 178.12 2k9a s ASP 54 N -0.93 4.94 0.02 -0.19 -4.77 -1.26 -4.90 116.67 109.58 2k9a s ASP 54 Ca 0.20 0.06 -0.08 0.00 -3.30 0.00 0.00 52.55 49.42 2k9a s ASP 54 Cb -0.14 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 2k9a s ASP 54 CO 0.09 -2.76 0.16 0.42 0.70 0.00 0.00 175.17 173.78 2k9a s THR 55 N 10.55 0.10 0.18 2.11 -4.23 -1.26 -5.04 115.64 118.04 2k9a s THR 55 Ca 0.75 -0.79 0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2k9a s THR 55 Cb -0.11 -0.64 -0.00 0.00 1.34 0.00 0.00 72.50 73.08 2k9a s THR 55 CO 0.13 -0.44 1.58 -0.33 -0.54 0.00 0.00 174.62 175.02 2k9a h GLU 56 N 3.93 0.00 -6.65 3.99 4.39 -2.08 -3.44 114.58 114.72 2k9a h GLU 56 Ca -0.31 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.86 2k9a h GLU 56 Cb 1.19 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2k9a h GLU 56 CO 0.44 0.60 0.62 -1.21 -1.16 0.00 0.00 179.01 178.30 2k9a s GLU 57 N -3.40 4.42 0.02 2.33 8.01 -1.26 -5.02 118.70 123.81 2k9a s GLU 57 Ca -0.00 1.98 -0.14 0.00 0.01 0.00 0.00 54.97 56.82 2k9a s GLU 57 Cb 0.11 -3.22 -0.06 0.00 -4.31 0.00 0.00 34.13 26.65 2k9a s GLU 57 CO 0.75 -0.21 0.41 -0.80 0.01 0.00 0.00 175.26 175.42 2k9a s ASN 58 N 0.35 6.79 0.12 -0.19 0.02 -1.26 -5.09 114.94 115.67 2k9a s ASN 58 Ca 0.56 0.94 0.11 0.00 -1.02 0.00 0.00 52.86 53.45 2k9a s ASN 58 Cb -0.35 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 2k9a s ASN 58 CO 0.37 0.30 -0.27 -0.54 0.02 0.00 0.00 177.10 176.98 2k9a s LYS 59 N -1.23 1.44 0.00 -0.60 1.02 -1.26 -5.02 119.74 114.09 2k9a s LYS 59 Ca 0.25 -1.32 0.29 0.00 0.02 0.00 0.00 55.97 55.22 2k9a s LYS 59 Cb -0.16 -1.89 1.33 0.00 -0.52 0.00 0.00 37.83 36.58 2k9a s LYS 59 CO 0.14 0.45 1.97 1.28 -0.92 0.00 0.00 175.35 178.27 2k9a n LEU 60 N 1.01 0.00 0.09 3.17 4.77 -1.26 -3.38 117.00 121.40 2k9a n LEU 60 Ca -0.18 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 2k9a n LEU 60 Cb 0.53 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.58 2k9a n LEU 60 CO 0.23 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.05 2k9a n ILE 61 N -1.43 1.10 0.22 -0.08 0.13 -1.26 -2.05 119.36 115.98 2k9a n ILE 61 Ca 0.09 0.39 0.10 0.00 -1.10 0.00 0.00 62.75 62.23 2k9a n ILE 61 Cb 0.31 -1.30 0.47 0.00 -0.84 0.00 0.00 39.64 38.27 2k9a n ILE 61 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 2k9a h TYR 62 N 0.00 0.00 0.09 9.51 0.05 -1.99 -2.84 116.97 121.78 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k9a h TYR 62 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2k9a h TYR 62 CO 0.00 0.22 -0.04 1.15 -1.05 0.00 0.00 178.16 178.44 2k9a h THR 63 N 0.00 1.15 -0.25 -2.88 2.02 -1.69 -2.36 112.91 108.90 2k9a h THR 63 Ca -0.00 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 2k9a h THR 63 Cb 0.73 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2k9a h THR 63 CO 0.03 0.30 0.14 -0.65 0.37 0.00 0.00 175.52 175.71 2k9a h PRO 64 N -0.77 0.34 -0.99 6.66 0.11 -1.72 -1.99 132.00 133.63 2k9a h PRO 64 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.10 2k9a h PRO 64 Cb 0.58 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.02 0.28 0.65 0.82 -0.21 0.00 0.00 178.00 179.56 2k9a h ILE 65 N 0.30 1.16 -0.49 4.15 2.04 -1.62 -2.18 117.51 120.87 2k9a h ILE 65 Ca 0.09 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2k9a h ILE 65 Cb 0.04 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 2k9a h ILE 65 CO -0.02 0.23 0.22 0.15 0.00 0.00 0.00 178.15 178.73 2k9a h PHE 66 N 1.24 0.73 -0.91 1.37 3.57 -1.14 -2.55 116.94 119.25 2k9a h PHE 66 Ca 0.40 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.93 2k9a h PHE 66 Cb 0.02 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 2k9a h PHE 66 CO -0.00 0.59 0.59 -0.91 -2.23 0.00 0.00 178.31 176.35 2k9a h ASN 67 N 0.65 0.88 -0.44 0.41 2.35 -0.75 -1.84 115.58 116.85 2k9a h ASN 67 Ca 0.17 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2k9a h ASN 67 Cb 0.15 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2k9a h ASN 67 CO -0.02 0.55 0.11 -0.08 -1.65 0.00 0.00 177.43 176.34 2k9a h GLU 68 N 0.99 0.70 -0.34 0.81 4.57 -1.07 -1.98 114.58 118.26 2k9a h GLU 68 Ca 0.40 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2k9a h GLU 68 Cb 0.27 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2k9a h GLU 68 CO -0.16 0.71 0.23 -0.92 -1.18 0.00 0.00 179.01 177.68 2k9a h TYR 69 N 0.58 0.43 0.31 0.92 3.20 -0.96 0.66 116.97 122.10 2k9a h TYR 69 Ca 0.14 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2k9a h TYR 69 Cb 0.32 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2k9a h TYR 69 CO 0.02 0.27 -0.15 0.82 -1.64 0.00 0.00 178.16 177.48 2k9a h ILE 70 N 0.47 0.09 0.00 1.81 1.08 -1.14 0.12 117.51 119.93 2k9a h ILE 70 Ca 0.13 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2k9a h ILE 70 Cb -0.05 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.85 2k9a h ILE 70 CO -0.03 0.02 -0.02 0.28 -0.69 0.00 0.00 178.15 177.72 2k9a h SER 71 N -1.09 0.00 0.00 1.72 0.02 -1.30 0.71 113.55 113.61 2k9a h SER 71 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k9a h SER 71 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2k9a h SER 71 CO 0.07 0.02 -0.31 -0.11 -1.14 0.00 0.00 176.83 175.37 2k9a n LEU 72 N -4.03 1.07 0.09 5.07 -0.00 0.22 -4.16 117.00 115.26 2k9a n LEU 72 Ca -0.03 0.47 -0.05 0.00 -0.00 0.00 0.00 56.01 56.41 2k9a n LEU 72 Cb 0.11 -0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 42.79 2k9a n LEU 72 CO 0.30 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 177.93 2k9a h VAL 73 N -0.59 0.00 -0.98 1.96 2.07 -0.84 -2.05 116.25 115.82 2k9a h VAL 73 Ca 0.00 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.08 2k9a h VAL 73 Cb 0.31 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.99 2k9a h VAL 73 CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 2k9a h GLU 74 N -0.90 0.80 -0.07 1.57 4.81 -0.93 0.36 114.58 120.20 2k9a h GLU 74 Ca -0.03 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 2k9a h GLU 74 Cb 0.24 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k9a h GLU 74 CO 0.05 0.53 -0.68 -0.22 -0.73 0.00 0.00 179.01 177.96 2k9a h LYS 75 N 0.82 0.32 -0.31 1.92 3.64 -1.02 -2.70 116.57 119.23 2k9a h LYS 75 Ca 0.52 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2k9a h LYS 75 Cb 0.73 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2k9a h LYS 75 CO -0.29 0.88 0.19 -0.92 -2.27 0.00 0.00 179.45 177.04 2k9a h TYR 76 N 0.23 0.41 -0.58 1.91 3.20 -0.19 -1.45 116.97 120.50 2k9a h TYR 76 Ca -0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2k9a h TYR 76 Cb 1.23 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2k9a h TYR 76 CO 0.03 0.29 0.15 0.82 -1.64 0.00 0.00 178.16 177.82 2k9a h ILE 77 N 0.40 1.25 0.02 1.81 2.04 -1.36 -2.78 117.51 118.89 2k9a h ILE 77 Ca 0.11 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.10 2k9a h ILE 77 Cb 0.00 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2k9a h ILE 77 CO -0.02 0.33 -0.05 -0.08 0.00 0.00 0.00 178.15 178.32 2k9a h GLU 78 N 0.83 -0.10 -0.04 2.37 4.81 -1.21 -1.75 114.58 119.48 2k9a h GLU 78 Ca 0.18 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2k9a h GLU 78 Cb 0.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2k9a h GLU 78 CO 0.00 -0.07 -0.15 0.93 -0.73 0.00 0.00 179.01 179.00 2k9a h GLU 79 N -0.10 -0.21 -0.11 1.92 5.08 -1.22 0.44 114.58 120.37 2k9a h GLU 79 Ca 0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2k9a h GLU 79 Cb 0.12 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k9a h GLU 79 CO -0.04 -0.14 0.08 1.96 -1.00 0.00 0.00 179.01 179.87 2k9a h GLN 80 N -0.22 0.00 0.13 2.33 1.08 -1.38 -1.81 115.11 115.24 2k9a h GLN 80 Ca 0.06 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.98 2k9a h GLN 80 Cb 0.31 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2k9a h GLN 80 CO -0.17 0.00 -1.24 -0.07 -0.95 0.00 0.00 178.83 176.39 2k9a h LEU 81 N 0.00 0.61 -1.34 1.46 3.38 -0.37 -3.26 115.31 115.79 2k9a h LEU 81 Ca 0.05 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2k9a h LEU 81 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k9a h LEU 81 CO -0.00 1.45 -0.17 -0.07 0.09 0.00 0.00 178.44 179.74 2k9a h LEU 82 N 0.15 0.00 -2.13 1.67 -0.00 -0.15 -2.24 115.31 112.61 2k9a h LEU 82 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2k9a h LEU 82 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 2k9a h LEU 82 CO 0.22 0.17 0.17 1.56 -0.00 0.00 0.00 178.44 180.56 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.41 -1.86 115.11 114.05 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k9a h GLN 83 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2k9a h GLN 83 CO 0.02 0.00 -0.89 -2.13 -0.95 0.00 0.00 178.83 174.88 2k9a n ARG 84 N -2.77 0.69 -3.72 1.46 3.00 -1.03 -4.94 116.66 109.35 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.53 2k9a n ARG 84 Cb 0.22 -0.95 -0.14 0.00 0.00 0.00 0.00 32.46 31.59 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k9a s ILE 85 N -1.86 1.03 -0.71 5.15 1.01 -0.70 -4.97 121.20 120.15 2k9a s ILE 85 Ca 0.00 -1.77 0.25 0.00 0.00 0.00 0.00 60.65 59.12 2k9a s ILE 85 Cb 0.00 -1.76 0.25 0.00 0.01 0.00 0.00 42.46 40.96 2k9a s ILE 85 CO 0.00 -0.75 1.75 -0.81 0.00 0.00 0.00 174.94 175.12 2k9a n PRO 86 N 4.42 0.18 -0.60 2.79 -0.04 -1.23 -2.68 135.00 137.83 2k9a n PRO 86 Ca 0.02 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2k9a n PRO 86 Cb 0.40 -1.76 0.32 0.00 -0.04 0.00 0.00 33.50 32.42 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -2.08 3.74 -2.10 0.54 -0.58 -1.26 -5.01 120.64 113.90 2k9a n GLU 87 Ca 0.04 -2.87 -0.37 0.00 -0.42 0.00 0.00 57.16 53.55 2k9a n GLU 87 Cb 0.32 -1.92 0.02 0.00 -0.57 0.00 0.00 31.44 29.29 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -2.33 2.58 -0.36 -0.32 5.36 -1.09 -5.02 117.98 116.78 2k9a s PHE 88 Ca 0.47 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 2k9a s PHE 88 Cb 0.34 -3.47 0.12 0.00 -0.34 0.00 0.00 43.02 39.67 2k9a s PHE 88 CO 0.16 -1.99 0.18 -0.80 -1.46 0.00 0.00 175.22 171.32 2k9a s ASN 89 N -1.45 3.55 0.56 6.13 -0.87 -1.26 -4.98 114.94 116.62 2k9a s ASN 89 Ca 0.71 -2.08 0.25 0.00 -1.57 0.00 0.00 52.86 50.17 2k9a s ASN 89 Cb -0.30 -0.73 1.56 0.00 -0.02 0.00 0.00 41.25 41.76 2k9a s ASN 89 CO 0.35 -0.34 2.14 -0.03 -2.57 0.00 0.00 177.10 176.65 2k9a h MET 90 N 7.37 0.00 0.27 -0.60 4.05 -1.98 0.14 114.93 124.18 2k9a h MET 90 Ca -0.05 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2k9a h MET 90 Cb 0.97 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2k9a h MET 90 CO 0.41 0.00 -0.13 0.00 0.23 0.00 0.00 176.91 177.42 2k9a h ALA 91 N 1.88 -0.36 0.00 0.39 0.00 -2.00 -2.70 119.26 116.47 2k9a h ALA 91 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 91 Cb 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k9a h ALA 91 CO -0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 179.25 178.67 2k9a h ALA 92 N -0.74 1.20 0.13 0.00 0.00 -1.93 -2.64 119.26 115.27 2k9a h ALA 92 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k9a h ALA 92 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k9a h ALA 92 CO 0.06 0.25 -0.06 0.35 0.00 0.00 0.00 179.25 179.84 2k9a h PHE 93 N 0.00 -0.17 -0.49 0.00 3.57 -0.79 -2.39 116.94 116.68 2k9a h PHE 93 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 93 Cb 0.53 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2k9a h PHE 93 CO 0.00 0.26 0.26 1.79 -2.23 0.00 0.00 178.31 178.39 2k9a h THR 94 N -0.66 1.17 -0.59 4.41 1.35 -1.43 0.18 112.91 117.34 2k9a h THR 94 Ca -0.02 -0.45 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 2k9a h THR 94 Cb 0.50 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.45 2k9a h THR 94 CO 0.03 0.19 0.32 0.74 -0.25 0.00 0.00 175.52 176.54 2k9a h THR 95 N 0.64 0.97 0.00 6.82 2.02 -1.53 -1.76 112.91 120.07 2k9a h THR 95 Ca 0.17 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 67.00 2k9a h THR 95 Cb 0.06 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2k9a h THR 95 CO -0.03 0.11 -0.70 0.74 0.37 0.00 0.00 175.52 176.01 2k9a h THR 96 N 0.60 1.45 -0.56 3.16 2.02 -1.19 -3.19 112.91 115.21 2k9a h THR 96 Ca 0.26 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.96 2k9a h THR 96 Cb 0.15 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2k9a h THR 96 CO -0.17 0.69 0.19 0.25 0.37 0.00 0.00 175.52 176.85 2k9a h LEU 97 N 0.00 0.76 -1.20 2.58 6.46 0.19 -1.90 115.31 122.21 2k9a h LEU 97 Ca -0.01 -0.11 0.21 0.00 -0.12 0.00 0.00 57.88 57.85 2k9a h LEU 97 Cb 1.28 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.92 2k9a h LEU 97 CO 0.09 0.71 0.62 1.56 -0.62 0.00 0.00 178.44 180.80 2k9a h GLN 98 N 0.81 0.59 0.11 1.25 4.20 -1.36 0.25 115.11 120.95 2k9a h GLN 98 Ca 0.19 -0.04 -0.34 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.22 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2k9a h GLN 98 CO -0.01 0.39 -1.79 0.45 -0.67 0.00 0.00 178.83 177.20 2k9a h HIS 99 N 0.60 0.43 0.00 2.96 3.86 -1.66 -3.31 115.15 118.03 2k9a h HIS 99 Ca 0.55 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2k9a h HIS 99 Cb 1.08 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2k9a h HIS 99 CO -0.00 1.53 0.00 0.72 0.86 0.00 0.00 177.93 181.04 2k9a n HIS 100 N -3.42 0.00 0.29 2.45 8.25 -0.54 -2.63 115.22 119.63 2k9a n HIS 100 Ca -0.24 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.36 2k9a n HIS 100 Cb 1.05 -0.17 0.66 0.00 1.12 0.00 0.00 29.99 32.65 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 -0.25 -0.41 3.64 -0.65 -2.40 116.57 116.50 2k9a h LYS 101 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2k9a h LYS 101 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2k9a h LYS 101 CO 0.00 0.00 0.18 0.22 -2.27 0.00 0.00 179.45 177.58 2k9a h ASP 102 N 0.00 0.04 0.00 4.20 1.82 -1.78 -3.12 116.42 117.59 2k9a h ASP 102 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 2k9a h ASP 102 Cb 0.22 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 2k9a h ASP 102 CO 0.00 0.03 -2.05 1.21 -1.61 0.00 0.00 179.24 176.82 2k9a n GLU 103 N -4.47 0.45 -1.94 0.28 4.07 -0.94 -5.00 120.64 113.09 2k9a n GLU 103 Ca 0.03 0.12 -0.40 0.00 -0.06 0.00 0.00 57.16 56.85 2k9a n GLU 103 Cb 0.30 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2k9a n GLU 103 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2k9a s VAL 104 N -2.37 2.37 -0.27 6.31 1.01 -0.98 -4.86 120.40 121.62 2k9a s VAL 104 Ca -0.25 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2k9a s VAL 104 Cb 0.07 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 2k9a s VAL 104 CO 0.41 0.05 2.23 0.00 0.00 0.00 0.00 175.10 177.79 2k9a n ALA 105 N -0.01 1.56 0.17 5.51 0.00 -1.26 -4.78 120.51 121.71 2k9a n ALA 105 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.29 2k9a n ALA 105 Cb 0.43 -2.83 0.43 0.00 0.00 0.00 0.00 19.45 17.48 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 14.57 0.11 1.14 0.00 0.00 -1.89 -2.66 103.07 114.34 2k9a h GLY 106 Ca -0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2k9a h GLY 106 CO 0.99 0.06 0.30 -0.55 0.00 0.00 0.00 176.54 177.34 2k9a h ASP 107 N 0.09 1.00 -0.01 0.19 3.32 -1.98 0.11 116.42 119.15 2k9a h ASP 107 Ca 0.02 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2k9a h ASP 107 Cb 0.39 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2k9a h ASP 107 CO 0.03 0.89 -0.05 0.40 -1.72 0.00 0.00 179.24 178.78 2k9a h ILE 108 N 1.07 1.55 0.00 0.35 2.04 -1.89 -3.24 117.51 117.38 2k9a h ILE 108 Ca 0.25 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 2k9a h ILE 108 Cb 0.19 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2k9a h ILE 108 CO -0.02 0.44 -0.19 0.15 0.00 0.00 0.00 178.15 178.53 2k9a h PHE 109 N -0.63 0.00 -1.08 1.37 3.57 -1.45 -2.62 116.94 116.10 2k9a h PHE 109 Ca -0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 2k9a h PHE 109 Cb 0.76 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2k9a h PHE 109 CO 0.17 0.19 0.75 0.22 -2.23 0.00 0.00 178.31 177.41 2k9a h ASP 110 N 0.00 0.16 -0.09 0.41 3.58 -0.79 0.31 116.42 120.01 2k9a h ASP 110 Ca -0.00 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2k9a h ASP 110 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k9a h ASP 110 CO 0.02 0.03 -0.29 -0.03 -2.88 0.00 0.00 179.24 176.10 2k9a h MET 111 N 0.14 0.35 0.00 0.28 4.05 -1.61 -3.10 114.93 115.05 2k9a h MET 111 Ca 0.55 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2k9a h MET 111 Cb 1.89 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.74 2k9a h MET 111 CO -0.11 0.88 -0.07 -0.07 0.23 0.00 0.00 176.91 177.77 2k9a h LEU 112 N -0.11 0.00 -1.84 3.39 3.38 -0.63 -2.76 115.31 116.74 2k9a h LEU 112 Ca -0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2k9a h LEU 112 CO 0.06 0.07 0.68 -0.07 0.09 0.00 0.00 178.44 179.27 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.75 0.56 115.31 120.17 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k9a h LEU 113 CO 0.01 0.00 0.08 0.35 0.09 0.00 0.00 178.44 178.97 2k9a n THR 114 N -3.82 0.83 0.20 0.22 -2.24 -1.04 -1.20 114.28 107.24 2k9a n THR 114 Ca 0.15 0.29 0.04 0.00 -2.27 0.00 0.00 64.05 62.27 2k9a n THR 114 Cb 0.94 -1.29 0.46 0.00 -2.10 0.00 0.00 70.33 68.35 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.05 0.00 4.78 0.04 -1.16 -3.39 116.94 117.26 2k9a h PHE 115 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k9a h PHE 115 Cb 0.16 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2k9a h PHE 115 CO 0.00 0.24 0.00 0.25 -0.60 0.00 0.00 178.31 178.20 2k9a n THR 116 N -4.29 0.00 -1.98 -1.55 -2.24 -0.62 -5.00 114.28 98.60 2k9a n THR 116 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2k9a n THR 116 Cb 0.27 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.78 4.92 0.55 3.42 2.15 -0.34 -4.76 116.67 120.83 2k9a s ASP 117 Ca 0.00 -0.77 0.22 0.00 0.43 0.00 0.00 52.55 52.43 2k9a s ASP 117 Cb 0.00 -2.57 1.51 0.00 -0.30 0.00 0.00 42.92 41.56 2k9a s ASP 117 CO 0.00 -3.00 2.19 0.15 -0.17 0.00 0.00 175.17 174.34 2k9a h PHE 118 N 11.19 0.00 -0.69 -5.34 3.57 -1.86 -1.64 116.94 122.16 2k9a h PHE 118 Ca 0.10 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 118 Cb 0.99 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2k9a h PHE 118 CO 1.20 0.01 0.14 -0.07 -2.23 0.00 0.00 178.31 177.36 2k9a h LEU 119 N 0.00 1.06 -0.43 0.59 -0.00 -1.97 -2.64 115.31 111.92 2k9a h LEU 119 Ca -0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 57.88 57.52 2k9a h LEU 119 Cb 0.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.38 2k9a h LEU 119 CO 0.00 1.03 -0.57 0.00 -0.00 0.00 0.00 178.44 178.90 2k9a h ALA 120 N 1.09 0.76 0.42 1.53 0.00 -1.70 -2.45 119.26 118.91 2k9a h ALA 120 Ca 0.21 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 120 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k9a h ALA 120 CO 0.01 0.71 -0.20 0.35 0.00 0.00 0.00 179.25 180.12 2k9a h PHE 121 N 0.00 -0.52 -0.26 0.00 3.57 -1.09 0.84 116.94 119.48 2k9a h PHE 121 Ca -0.01 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 2k9a h PHE 121 Cb 1.25 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2k9a h PHE 121 CO 0.00 -0.23 -0.37 -0.22 -2.23 0.00 0.00 178.31 175.26 2k9a h LYS 122 N -0.74 0.59 -0.06 1.11 3.64 -1.57 -2.80 116.57 116.74 2k9a h LYS 122 Ca -0.06 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 2k9a h LYS 122 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2k9a h LYS 122 CO 0.09 0.87 -0.39 1.49 -2.27 0.00 0.00 179.45 179.25 2k9a h GLU 123 N 0.50 0.11 -0.08 1.90 4.81 -1.41 -0.66 114.58 119.76 2k9a h GLU 123 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k9a h GLU 123 Cb 0.86 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k9a h GLU 123 CO 0.07 0.49 -0.06 1.98 -0.73 0.00 0.00 179.01 180.76 2k9a h MET 124 N 0.10 0.18 -0.28 1.92 4.05 -0.61 -2.41 114.93 117.88 2k9a h MET 124 Ca 0.01 -0.09 -0.15 0.00 -0.28 0.00 0.00 59.70 59.19 2k9a h MET 124 Cb 0.74 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 2k9a h MET 124 CO 0.06 0.60 -0.42 0.74 0.23 0.00 0.00 176.91 178.11 2k9a h PHE 125 N -0.24 0.83 -0.40 1.39 0.04 -1.45 -2.40 116.94 114.72 2k9a h PHE 125 Ca 0.01 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.54 2k9a h PHE 125 Cb 0.56 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2k9a h PHE 125 CO 0.08 0.99 0.26 1.25 -0.60 0.00 0.00 178.31 180.29 2k9a h LEU 126 N 0.56 0.45 -1.14 1.54 5.85 -1.14 -2.04 115.31 119.39 2k9a h LEU 126 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2k9a h LEU 126 Cb 0.96 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2k9a h LEU 126 CO 0.09 0.32 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.52 2k9a h ASP 127 N 0.53 0.35 -0.77 1.25 3.58 -1.38 -2.41 116.42 117.56 2k9a h ASP 127 Ca 0.15 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2k9a h ASP 127 Cb -0.06 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2k9a h ASP 127 CO -0.04 0.57 0.41 0.22 -2.88 0.00 0.00 179.24 177.52 2k9a h TYR 128 N 0.32 1.06 -0.13 0.28 3.20 -0.86 -2.23 116.97 118.61 2k9a h TYR 128 Ca 0.05 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 2k9a h TYR 128 Cb 0.55 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2k9a h TYR 128 CO 0.01 0.76 -0.51 -0.09 -1.64 0.00 0.00 178.16 176.69 2k9a h ARG 129 N 1.06 0.36 -0.38 1.82 2.43 -1.12 -3.05 114.38 115.52 2k9a h ARG 129 Ca 0.27 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2k9a h ARG 129 Cb 0.05 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2k9a h ARG 129 CO -0.04 0.79 0.03 0.00 -1.51 0.00 0.00 179.97 179.24 2k9a h ALA 130 N 1.17 1.35 0.00 2.80 0.00 -0.97 -1.87 119.26 121.75 2k9a h ALA 130 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 130 Cb 1.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k9a h ALA 130 CO 0.09 0.45 -0.01 0.93 0.00 0.00 0.00 179.25 180.71 2k9a h GLU 131 N 0.56 0.00 0.00 0.00 4.39 -1.30 -1.75 114.58 116.49 2k9a h GLU 131 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2k9a h GLU 131 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k9a h GLU 131 CO 0.01 0.01 0.00 1.63 -1.16 0.00 0.00 179.01 179.50 2k9a n LYS 132 N -3.13 0.09 -0.03 2.33 4.76 -0.70 -2.04 118.16 119.43 2k9a n LYS 132 Ca -0.01 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.82 2k9a n LYS 132 Cb 0.23 -1.65 0.27 0.00 -1.84 0.00 0.00 35.03 32.03 2k9a n LYS 132 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k9a n GLU 133 N -1.82 2.10 0.00 1.97 -0.58 -0.66 -3.58 120.64 118.07 2k9a n GLU 133 Ca 0.04 -1.61 0.00 0.00 -0.42 0.00 0.00 57.16 55.16 2k9a n GLU 133 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k9a n GLY 134 N 1.30 -0.94 0.66 0.62 0.00 -0.87 -4.24 105.19 101.72 2k9a n GLY 134 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2k9a n GLY 134 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k9a n ARG 135 N -1.28 1.90 -0.05 1.61 1.85 -1.26 -5.18 116.66 114.25 2k9a n ARG 135 Ca 0.00 -1.32 0.00 0.00 -1.00 0.00 0.00 57.85 55.53 2k9a n ARG 135 Cb 0.00 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03