#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kuy n THR 31 N 0.00 0.00 -3.71 0.61 5.66 -1.26 -5.14 114.28 110.45 1kuy n THR 31 Ca 0.00 -0.97 -0.38 0.00 -3.05 0.00 0.00 64.05 59.64 1kuy n THR 31 Cb 0.00 0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 69.57 1kuy n THR 31 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1kuy s LEU 32 N 0.00 4.12 0.18 1.09 1.43 -1.26 -5.06 118.68 119.17 1kuy s LEU 32 Ca 0.16 -0.78 -0.33 0.00 -1.03 0.00 0.00 54.13 52.15 1kuy s LEU 32 Cb -0.04 -1.93 -0.15 0.00 0.03 0.00 0.00 46.19 44.10 1kuy s LEU 32 CO 0.12 -0.24 1.38 -0.81 0.23 0.00 0.00 176.35 177.02 1kuy n PRO 33 N 4.91 1.70 0.16 1.29 -0.04 -1.26 -4.62 135.00 137.14 1kuy n PRO 33 Ca -0.14 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 1kuy n PRO 33 Cb 0.47 -2.26 0.56 0.00 -0.04 0.00 0.00 33.50 32.24 1kuy n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kuy h ALA 34 N 4.52 1.89 -2.86 0.55 0.00 -1.96 -2.26 119.26 119.15 1kuy h ALA 34 Ca -0.45 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1kuy h ALA 34 Cb 1.30 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.75 1kuy h ALA 34 CO 0.78 0.10 -0.38 -0.80 0.00 0.00 0.00 179.25 178.95 1kuy s ASN 35 N -6.92 -0.38 -0.15 0.00 -0.87 -1.26 -3.45 114.94 101.91 1kuy s ASN 35 Ca -0.06 0.70 -0.08 0.00 -1.57 0.00 0.00 52.86 51.85 1kuy s ASN 35 Cb 0.17 0.61 0.06 0.00 -0.02 0.00 0.00 41.25 42.07 1kuy s ASN 35 CO 0.69 -0.17 0.35 -0.70 -2.57 0.00 0.00 177.10 174.71 1kuy s GLU 36 N 1.07 0.31 -0.23 -0.60 2.12 -0.47 -4.97 118.70 115.94 1kuy s GLU 36 Ca -0.07 0.74 -0.05 0.00 0.36 0.00 0.00 54.97 55.94 1kuy s GLU 36 Cb -0.08 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 1kuy s GLU 36 CO -0.08 -0.18 0.01 -0.06 -0.54 0.00 0.00 175.26 174.40 1kuy s PHE 37 N 1.57 3.01 0.19 5.30 0.40 -1.26 0.19 117.98 127.39 1kuy s PHE 37 Ca -0.08 -0.71 -0.13 0.00 -0.60 0.00 0.00 56.93 55.41 1kuy s PHE 37 Cb -0.10 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1kuy s PHE 37 CO -0.11 -0.46 0.41 -0.98 0.70 0.00 0.00 175.22 174.77 1kuy s ARG 38 N 1.53 1.30 0.50 0.44 1.70 -0.70 -4.97 118.95 118.75 1kuy s ARG 38 Ca 0.06 -1.06 -0.19 0.00 -0.47 0.00 0.00 55.73 54.07 1kuy s ARG 38 Cb -0.15 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 1kuy s ARG 38 CO -0.00 -0.52 1.01 0.00 -1.08 0.00 0.00 175.30 174.71 1kuy s LEU 40 N -3.72 3.17 0.08 0.00 1.02 -1.26 -4.84 118.68 113.13 1kuy s LEU 40 Ca 0.64 0.46 0.01 0.00 0.02 0.00 0.00 54.13 55.27 1kuy s LEU 40 Cb -0.13 -3.25 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 1kuy s LEU 40 CO 0.24 -1.19 -0.06 0.42 0.02 0.00 0.00 176.35 175.78 1kuy s THR 41 N -2.98 0.59 -0.69 5.49 -4.23 -1.26 -4.76 115.64 107.80 1kuy s THR 41 Ca 0.56 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1kuy s THR 41 Cb -0.10 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1kuy s THR 41 CO 0.43 -0.84 0.72 -0.81 -0.54 0.00 0.00 174.62 173.58 1kuy n PRO 42 N 0.16 0.00 0.21 3.99 -0.04 -1.26 -0.07 135.00 138.00 1kuy n PRO 42 Ca -0.14 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1kuy n PRO 42 Cb 0.60 -1.67 0.37 0.00 -0.04 0.00 0.00 33.50 32.76 1kuy n PRO 42 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kuy h GLU 43 N 0.00 0.00 -0.01 0.54 3.07 -1.96 -3.00 114.58 113.21 1kuy h GLU 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1kuy h GLU 43 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1kuy h GLU 43 CO 0.00 0.23 -0.12 -0.25 -1.40 0.00 0.00 179.01 177.47 1kuy n ASP 44 N -3.30 1.48 -0.14 1.42 8.00 0.90 -4.28 116.55 120.64 1kuy n ASP 44 Ca 0.01 -1.32 -0.03 0.00 0.71 0.00 0.00 54.79 54.16 1kuy n ASP 44 Cb 0.48 0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.70 1kuy n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kuy h ALA 45 N 4.11 0.41 -0.32 2.24 0.00 -1.64 -0.82 119.26 123.24 1kuy h ALA 45 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1kuy h ALA 45 Cb 0.56 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1kuy h ALA 45 CO 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 179.25 178.52 1kuy h ALA 46 N 1.40 -0.27 -0.80 0.00 0.00 -1.81 -1.23 119.26 116.53 1kuy h ALA 46 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1kuy h ALA 46 Cb 0.33 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1kuy h ALA 46 CO -0.38 -0.77 0.44 0.78 0.00 0.00 0.00 179.25 179.33 1kuy h GLY 47 N -0.31 1.19 0.97 0.00 0.00 -1.67 -2.47 103.07 100.79 1kuy h GLY 47 Ca 0.15 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1kuy h GLY 47 CO -0.49 0.51 0.03 -2.08 0.00 0.00 0.00 176.54 174.50 1kuy h VAL 48 N 1.12 1.03 -0.39 4.60 2.07 -0.29 -2.77 116.25 121.62 1kuy h VAL 48 Ca 0.28 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.74 1kuy h VAL 48 Cb 0.02 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1kuy h VAL 48 CO -0.05 0.03 0.21 0.15 0.02 0.00 0.00 177.57 177.93 1kuy h PHE 49 N 0.03 0.38 -0.55 1.57 3.57 -1.08 -1.26 116.94 119.59 1kuy h PHE 49 Ca 0.01 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1kuy h PHE 49 Cb 0.03 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 38.54 1kuy h PHE 49 CO -0.07 0.21 -0.20 0.93 -2.23 0.00 0.00 178.31 176.95 1kuy h GLU 50 N 0.42 -0.07 -0.03 1.11 4.39 -1.26 0.51 114.58 119.65 1kuy h GLU 50 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1kuy h GLU 50 Cb 0.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1kuy h GLU 50 CO -0.11 -0.05 -0.33 0.82 -1.16 0.00 0.00 179.01 178.19 1kuy h ILE 51 N -0.07 1.25 -0.39 3.13 2.04 -1.21 -2.40 117.51 119.85 1kuy h ILE 51 Ca 0.26 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1kuy h ILE 51 Cb 0.47 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1kuy h ILE 51 CO -0.60 0.34 -0.02 -0.33 0.00 0.00 0.00 178.15 177.55 1kuy h GLU 52 N 0.05 0.64 -0.50 2.37 5.08 0.11 0.23 114.58 122.56 1kuy h GLU 52 Ca 0.00 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1kuy h GLU 52 Cb 0.61 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1kuy h GLU 52 CO 0.04 0.67 0.27 0.00 -1.00 0.00 0.00 179.01 179.00 1kuy h ARG 53 N 0.60 0.53 0.00 2.33 3.08 -0.10 0.13 114.38 120.95 1kuy h ARG 53 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1kuy h ARG 53 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1kuy h ARG 53 CO 0.02 0.35 -0.00 1.49 -1.07 0.00 0.00 179.97 180.75 1kuy h GLU 54 N 0.54 -0.00 -0.72 0.04 4.22 -1.50 0.58 114.58 117.74 1kuy h GLU 54 Ca 0.21 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.69 1kuy h GLU 54 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1kuy h GLU 54 CO -0.12 0.86 0.47 0.00 -2.18 0.00 0.00 179.01 178.04 1kuy h ALA 55 N 0.08 1.60 0.00 2.92 0.00 -0.45 -3.35 119.26 120.06 1kuy h ALA 55 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kuy h ALA 55 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1kuy h ALA 55 CO 0.00 0.32 -0.38 1.19 0.00 0.00 0.00 179.25 180.39 1kuy n PHE 56 N -4.46 -0.25 -0.28 0.00 3.01 0.45 -4.74 117.46 111.19 1kuy n PHE 56 Ca 0.09 0.04 0.02 0.00 1.01 0.00 0.00 57.45 58.61 1kuy n PHE 56 Cb 0.14 0.10 0.15 0.00 -0.01 0.00 0.00 39.48 39.85 1kuy n PHE 56 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1kuy h ILE 57 N 0.00 0.92 0.00 4.37 2.04 -1.25 0.14 117.51 123.73 1kuy h ILE 57 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1kuy h ILE 57 Cb 0.38 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1kuy h ILE 57 CO 0.00 0.14 0.00 0.77 0.00 0.00 0.00 178.15 179.06 1kuy h SER 58 N 0.76 0.00 0.00 1.72 4.64 -1.01 -0.73 113.55 118.93 1kuy h SER 58 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1kuy h SER 58 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1kuy h SER 58 CO -0.23 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 176.25 1kuy n VAL 59 N -2.75 0.00 0.84 0.95 0.31 0.10 -4.79 118.33 112.99 1kuy n VAL 59 Ca -0.01 0.37 0.11 0.00 -0.01 0.00 0.00 64.34 64.81 1kuy n VAL 59 Cb 0.16 -1.31 0.10 0.00 -0.91 0.00 0.00 33.84 31.88 1kuy n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kuy n SER 60 N -2.10 0.64 0.00 4.52 3.41 0.27 -4.97 113.62 115.40 1kuy n SER 60 Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1kuy n SER 60 Cb 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1kuy n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kuy n GLY 61 N 1.45 0.67 3.23 5.00 0.00 -0.28 -5.01 105.19 110.26 1kuy n GLY 61 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1kuy n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kuy s ASN 62 N -2.97 0.15 0.02 1.61 3.84 -1.26 -4.88 114.94 111.45 1kuy s ASN 62 Ca 0.00 -1.32 -0.01 0.00 0.21 0.00 0.00 52.86 51.73 1kuy s ASN 62 Cb 0.00 0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 41.07 1kuy s ASN 62 CO 0.00 -0.85 0.00 0.00 -2.79 0.00 0.00 177.10 173.46 1kuy h PRO 64 N 4.57 0.85 -3.49 0.00 0.13 -1.94 -3.42 132.00 128.70 1kuy h PRO 64 Ca -0.32 -0.05 -0.24 0.00 -0.87 0.00 0.00 66.00 64.52 1kuy h PRO 64 Cb 1.21 -0.19 -0.30 0.00 0.13 0.00 0.00 31.00 31.85 1kuy h PRO 64 CO 0.41 0.56 -0.65 -0.51 -0.23 0.00 0.00 178.00 177.58 1kuy s LEU 65 N -10.25 1.37 0.58 1.56 1.43 -1.26 -4.99 118.68 107.11 1kuy s LEU 65 Ca -0.12 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1kuy s LEU 65 Cb 0.24 0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.72 1kuy s LEU 65 CO 0.81 -0.07 0.80 0.54 0.23 0.00 0.00 176.35 178.65 1kuy s ASN 66 N 0.51 5.07 0.29 2.29 2.20 -1.26 -4.80 114.94 119.24 1kuy s ASN 66 Ca -0.04 -0.29 0.03 0.00 -0.94 0.00 0.00 52.86 51.63 1kuy s ASN 66 Cb -0.06 -0.45 0.67 0.00 -2.00 0.00 0.00 41.25 39.41 1kuy s ASN 66 CO -0.02 -1.30 1.74 0.25 -2.94 0.00 0.00 177.10 174.84 1kuy h LEU 67 N 0.02 0.55 -0.58 3.54 5.85 -1.99 0.20 115.31 122.90 1kuy h LEU 67 Ca -0.39 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 1kuy h LEU 67 Cb 1.29 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1kuy h LEU 67 CO 0.46 0.16 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.58 1kuy h ASP 68 N 0.59 0.78 -0.43 1.25 3.58 -1.98 -1.34 116.42 118.86 1kuy h ASP 68 Ca 0.54 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 1kuy h ASP 68 Cb 0.89 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1kuy h ASP 68 CO -0.43 1.06 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.40 1kuy h GLU 69 N 0.61 0.95 -0.16 0.28 5.08 -1.55 0.47 114.58 120.26 1kuy h GLU 69 Ca 0.06 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1kuy h GLU 69 Cb 0.90 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1kuy h GLU 69 CO 0.08 1.09 0.07 0.28 -1.00 0.00 0.00 179.01 179.54 1kuy h VAL 70 N 0.81 1.13 0.00 3.13 2.07 -0.54 -2.19 116.25 120.66 1kuy h VAL 70 Ca 0.10 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1kuy h VAL 70 Cb 0.84 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1kuy h VAL 70 CO 0.07 0.12 -0.16 1.56 0.02 0.00 0.00 177.57 179.19 1kuy h GLN 71 N 0.13 0.00 0.15 1.57 4.20 -1.16 -1.68 115.11 118.33 1kuy h GLN 71 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1kuy h GLN 71 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1kuy h GLN 71 CO -0.01 0.16 -0.07 1.25 -0.67 0.00 0.00 178.83 179.49 1kuy h HIS 72 N 0.00 -0.19 0.00 2.96 2.76 -0.31 -1.56 115.15 118.80 1kuy h HIS 72 Ca -0.00 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1kuy h HIS 72 Cb 0.57 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1kuy h HIS 72 CO 0.00 0.19 -0.47 0.74 -1.30 0.00 0.00 177.93 177.09 1kuy h PHE 73 N -0.61 0.00 0.00 5.26 0.04 -1.34 -1.27 116.94 119.03 1kuy h PHE 73 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1kuy h PHE 73 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1kuy h PHE 73 CO 0.05 0.47 0.00 -0.07 -0.60 0.00 0.00 178.31 178.15 1kuy h LEU 74 N 0.00 0.00 0.00 1.54 3.38 -1.32 0.10 115.31 119.02 1kuy h LEU 74 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1kuy h LEU 74 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1kuy h LEU 74 CO 0.06 0.00 -1.27 0.41 0.09 0.00 0.00 178.44 177.73 1kuy n THR 75 N -2.31 1.53 0.08 0.22 -1.04 -0.59 -3.88 114.28 108.30 1kuy n THR 75 Ca 0.05 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1kuy n THR 75 Cb 0.38 -2.05 -0.05 0.00 -1.82 0.00 0.00 70.33 66.79 1kuy n THR 75 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1kuy h LEU 76 N -1.00 0.39 -5.64 -4.42 3.38 -1.27 -3.41 115.31 103.34 1kuy h LEU 76 Ca -0.35 -0.34 -0.40 0.00 0.09 0.00 0.00 57.88 56.88 1kuy h LEU 76 Cb 1.29 -0.12 -0.31 0.00 0.09 0.00 0.00 40.66 41.62 1kuy h LEU 76 CO -0.21 1.16 -0.92 0.00 0.09 0.00 0.00 178.44 178.56 1kuy h PRO 78 N 3.17 0.76 0.00 0.00 0.11 -1.66 0.18 132.00 134.56 1kuy h PRO 78 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1kuy h PRO 78 Cb 1.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1kuy h PRO 78 CO 0.37 0.51 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1kuy n GLU 79 N -4.58 0.11 -0.54 1.05 0.00 -1.26 -0.60 120.64 114.81 1kuy n GLU 79 Ca 0.18 0.13 0.08 0.00 0.00 0.00 0.00 57.16 57.55 1kuy n GLU 79 Cb 0.43 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.68 1kuy n GLU 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1kuy n LEU 80 N -1.16 4.37 -4.54 -1.84 4.77 0.05 -4.89 117.00 113.78 1kuy n LEU 80 Ca 0.03 -2.60 -0.25 0.00 -0.03 0.00 0.00 56.01 53.16 1kuy n LEU 80 Cb 0.03 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.48 1kuy n LEU 80 CO 0.03 0.74 -0.32 -0.94 -1.33 0.00 0.00 177.39 175.57 1kuy s SER 81 N -1.19 3.36 -0.28 -1.43 1.04 0.23 0.06 113.70 115.49 1kuy s SER 81 Ca 0.45 -1.30 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 1kuy s SER 81 Cb 0.31 -0.29 0.10 0.00 0.10 0.00 0.00 66.02 66.24 1kuy s SER 81 CO 0.18 -0.40 0.79 -0.22 0.98 0.00 0.00 173.24 174.56 1kuy s LEU 82 N -3.60 -0.77 0.07 2.42 2.96 -0.57 -4.35 118.68 114.85 1kuy s LEU 82 Ca 0.34 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1kuy s LEU 82 Cb 0.07 2.22 -0.03 0.00 0.50 0.00 0.00 46.19 48.95 1kuy s LEU 82 CO 0.16 -0.21 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.05 1kuy s GLY 83 N 1.17 0.71 -0.26 7.98 0.00 0.67 -0.74 107.32 116.85 1kuy s GLY 83 Ca -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 1kuy s GLY 83 CO -0.13 -1.03 0.03 0.86 0.00 0.00 0.00 173.10 172.83 1kuy s TRP 84 N -1.76 3.08 -0.22 1.90 -0.11 -0.55 -1.72 118.94 119.56 1kuy s TRP 84 Ca -0.03 -0.97 -0.05 0.00 1.22 0.00 0.00 56.10 56.27 1kuy s TRP 84 Cb -0.07 -2.18 -0.01 0.00 -1.50 0.00 0.00 33.47 29.70 1kuy s TRP 84 CO 0.00 -0.56 -0.02 -0.06 -4.62 0.00 0.00 176.95 171.70 1kuy s PHE 85 N 1.48 2.99 -0.29 5.86 0.40 0.13 -0.40 117.98 128.15 1kuy s PHE 85 Ca 0.04 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.53 1kuy s PHE 85 Cb -0.16 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.26 1kuy s PHE 85 CO 0.00 -0.48 0.05 0.08 0.70 0.00 0.00 175.22 175.58 1kuy s VAL 86 N 1.46 3.66 -1.37 -0.44 1.01 0.15 -1.36 120.40 123.51 1kuy s VAL 86 Ca 0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1kuy s VAL 86 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1kuy s VAL 86 CO -0.01 0.04 1.12 -0.62 0.00 0.00 0.00 175.10 175.63 1kuy n GLU 87 N 4.80 -7.33 -1.82 2.72 -0.58 -0.85 -2.49 120.64 115.09 1kuy n GLU 87 Ca -0.14 0.79 -0.06 0.00 -0.42 0.00 0.00 57.16 57.33 1kuy n GLU 87 Cb 0.47 -5.80 -0.01 0.00 -0.57 0.00 0.00 31.44 25.53 1kuy n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kuy n GLY 88 N -1.84 0.34 2.88 0.62 0.00 -1.26 -4.97 105.19 100.97 1kuy n GLY 88 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1kuy n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kuy s ARG 89 N -3.74 0.06 0.09 1.61 1.81 -1.04 -5.11 118.95 112.63 1kuy s ARG 89 Ca 0.00 0.36 -0.31 0.00 -1.72 0.00 0.00 55.73 54.06 1kuy s ARG 89 Cb 0.00 -0.21 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 1kuy s ARG 89 CO 0.00 -0.19 1.72 -1.17 -0.68 0.00 0.00 175.30 174.99 1kuy s LEU 90 N 1.31 4.38 0.00 2.53 2.96 -1.26 -0.67 118.68 127.92 1kuy s LEU 90 Ca -0.07 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1kuy s LEU 90 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1kuy s LEU 90 CO -0.05 -0.93 0.00 1.33 -1.32 0.00 0.00 176.35 175.37 1kuy n VAL 91 N 4.72 0.00 -3.59 1.68 0.24 0.46 -4.89 118.33 116.96 1kuy n VAL 91 Ca 0.17 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1kuy n VAL 91 Cb 0.40 0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 33.67 1kuy n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kuy s ALA 92 N -1.04 -1.43 -0.01 2.33 0.00 -1.20 0.14 121.76 120.55 1kuy s ALA 92 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 1kuy s ALA 92 Cb 0.00 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.29 1kuy s ALA 92 CO 0.00 -0.36 0.74 -0.59 0.00 0.00 0.00 175.76 175.55 1kuy s PHE 93 N -1.43 -0.54 -0.03 0.00 -0.12 -0.84 -1.48 117.98 113.54 1kuy s PHE 93 Ca -0.11 0.71 0.01 0.00 -0.05 0.00 0.00 56.93 57.50 1kuy s PHE 93 Cb -0.02 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1kuy s PHE 93 CO 0.07 -0.62 -0.04 0.42 -0.05 0.00 0.00 175.22 175.00 1kuy s ILE 94 N -2.11 0.40 -0.25 -4.49 1.01 0.08 -2.72 121.20 113.13 1kuy s ILE 94 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1kuy s ILE 94 Cb -0.00 -0.42 0.06 0.00 0.01 0.00 0.00 42.46 42.10 1kuy s ILE 94 CO -0.00 0.17 -0.11 -0.63 0.00 0.00 0.00 174.94 174.37 1kuy s ILE 95 N 0.61 2.10 0.34 2.92 1.01 -0.94 -1.51 121.20 125.73 1kuy s ILE 95 Ca -0.07 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.09 1kuy s ILE 95 Cb -0.10 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1kuy s ILE 95 CO -0.00 0.02 0.34 0.61 0.00 0.00 0.00 174.94 175.91 1kuy n GLY 96 N 4.47 2.51 3.64 6.18 0.00 0.11 -1.64 105.19 120.46 1kuy n GLY 96 Ca -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 1kuy n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kuy s SER 97 N -3.06 -0.02 0.01 1.61 1.04 -1.07 -4.81 113.70 107.40 1kuy s SER 97 Ca 0.26 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.52 1kuy s SER 97 Cb -0.02 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 1kuy s SER 97 CO 0.17 -0.03 0.49 -0.76 0.98 0.00 0.00 173.24 174.08 1kuy s LEU 98 N -1.80 4.47 0.15 2.42 1.43 -1.26 0.66 118.68 124.75 1kuy s LEU 98 Ca 0.11 1.07 0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1kuy s LEU 98 Cb -0.01 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1kuy s LEU 98 CO -0.04 0.26 -0.26 0.86 0.23 0.00 0.00 176.35 177.41 1kuy s TRP 99 N -0.86 2.28 -0.09 0.29 -0.00 -0.23 0.25 118.94 120.58 1kuy s TRP 99 Ca 0.26 -0.38 0.13 0.00 -0.00 0.00 0.00 56.10 56.12 1kuy s TRP 99 Cb -0.18 -1.20 0.20 0.00 -0.00 0.00 0.00 33.47 32.30 1kuy s TRP 99 CO 0.15 0.39 1.09 -0.40 -0.00 0.00 0.00 176.95 178.18 1kuy n ASP 100 N 0.68 1.80 -4.38 5.86 5.75 -1.26 -2.35 116.55 122.64 1kuy n ASP 100 Ca -0.16 -2.72 -0.22 0.00 -0.01 0.00 0.00 54.79 51.69 1kuy n ASP 100 Cb 0.54 -0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 1kuy n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1kuy s GLU 101 N -2.06 1.43 0.19 0.11 2.02 -1.26 -4.94 118.70 114.19 1kuy s GLU 101 Ca 0.22 -1.59 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 1kuy s GLU 101 Cb 0.19 -1.42 0.15 0.00 0.10 0.00 0.00 34.13 33.15 1kuy s GLU 101 CO 0.02 0.27 1.82 1.49 0.02 0.00 0.00 175.26 178.88 1kuy h GLU 102 N 2.72 0.67 -6.38 1.61 4.81 -2.06 -3.44 114.58 112.51 1kuy h GLU 102 Ca -0.40 -0.04 -0.62 0.00 -0.13 0.00 0.00 59.36 58.17 1kuy h GLU 102 Cb 1.23 -0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.31 1kuy h GLU 102 CO 0.57 0.45 -0.75 1.03 -0.73 0.00 0.00 179.01 179.58 1kuy s ARG 103 N -6.13 1.82 0.33 1.92 0.52 -1.26 -5.10 118.95 111.05 1kuy s ARG 103 Ca -0.13 -1.52 -0.27 0.00 -0.52 0.00 0.00 55.73 53.29 1kuy s ARG 103 Cb 0.14 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.57 1kuy s ARG 103 CO 0.75 0.38 1.03 -0.51 0.02 0.00 0.00 175.30 176.97 1kuy s LEU 104 N -3.12 4.35 0.37 2.53 1.02 -1.26 -5.04 118.68 117.52 1kuy s LEU 104 Ca 0.26 2.06 0.03 0.00 0.02 0.00 0.00 54.13 56.51 1kuy s LEU 104 Cb -0.07 -3.93 -0.04 0.00 0.02 0.00 0.00 46.19 42.17 1kuy s LEU 104 CO 0.14 -0.24 0.10 0.42 0.02 0.00 0.00 176.35 176.79 1kuy s THR 105 N -1.45 0.81 0.19 5.49 -4.23 -1.26 -4.36 115.64 110.82 1kuy s THR 105 Ca 0.51 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1kuy s THR 105 Cb -0.25 -2.53 0.12 0.00 1.34 0.00 0.00 72.50 71.18 1kuy s THR 105 CO 0.31 0.00 1.81 -0.61 -0.54 0.00 0.00 174.62 175.59 1kuy h GLN 106 N 1.96 0.95 -0.70 3.99 5.75 -1.97 -2.83 115.11 122.25 1kuy h GLN 106 Ca -0.38 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 57.97 1kuy h GLN 106 Cb 1.26 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.59 1kuy h GLN 106 CO 0.62 0.71 0.25 1.05 -2.65 0.00 0.00 178.83 178.81 1kuy h GLU 107 N 0.94 1.08 0.00 1.69 4.11 -2.02 -2.54 114.58 117.84 1kuy h GLU 107 Ca 0.24 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1kuy h GLU 107 Cb 0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1kuy h GLU 107 CO -0.04 0.91 0.20 0.66 0.07 0.00 0.00 179.01 180.81 1kuy h SER 108 N 1.02 0.00 -0.90 3.06 4.64 -1.86 -2.31 113.55 117.20 1kuy h SER 108 Ca 0.23 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.71 1kuy h SER 108 Cb 0.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.25 1kuy h SER 108 CO -0.01 0.00 0.49 0.25 -0.87 0.00 0.00 176.83 176.69 1kuy h LEU 109 N 0.00 0.61 -3.05 5.97 5.85 -1.48 -2.58 115.31 120.64 1kuy h LEU 109 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1kuy h LEU 109 Cb 0.40 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1kuy h LEU 109 CO 0.00 0.24 -0.17 0.00 -0.34 0.00 0.00 178.44 178.17 1kuy n ALA 110 N -2.40 2.94 -2.51 1.25 0.00 -0.87 -5.04 120.51 113.88 1kuy n ALA 110 Ca 0.19 -2.86 -0.30 0.00 0.00 0.00 0.00 53.44 50.47 1kuy n ALA 110 Cb 0.48 -0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 1kuy n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kuy s LEU 111 N -3.02 2.78 -0.25 0.00 1.43 -0.97 -5.09 118.68 113.56 1kuy s LEU 111 Ca 0.36 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1kuy s LEU 111 Cb 0.32 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1kuy s LEU 111 CO 0.00 0.20 0.00 -2.28 0.23 0.00 0.00 176.35 174.50 1kuy s HIS 112 N -1.11 2.09 -0.76 0.29 5.65 -1.26 -4.66 115.29 115.52 1kuy s HIS 112 Ca 0.18 -1.67 -0.19 0.00 0.25 0.00 0.00 55.06 53.63 1kuy s HIS 112 Cb -0.11 -1.61 0.13 0.00 -1.18 0.00 0.00 32.58 29.81 1kuy s HIS 112 CO 0.10 -0.78 0.91 1.03 -0.65 0.00 0.00 174.74 175.35 1kuy s ARG 113 N 1.49 3.35 0.39 2.88 1.81 0.14 -4.90 118.95 124.11 1kuy s ARG 113 Ca -0.00 -1.59 0.17 0.00 -1.72 0.00 0.00 55.73 52.59 1kuy s ARG 113 Cb -0.18 -4.53 1.06 0.00 -0.45 0.00 0.00 34.95 30.85 1kuy s ARG 113 CO -0.11 -1.63 1.79 -1.35 -0.68 0.00 0.00 175.30 173.32 1kuy h PRO 114 N 8.90 0.43 0.00 3.54 0.11 -1.98 0.52 132.00 143.52 1kuy h PRO 114 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1kuy h PRO 114 Cb 1.05 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1kuy h PRO 114 CO 1.06 0.28 0.00 0.54 -0.21 0.00 0.00 178.00 179.68 1kuy n ARG 115 N -4.61 0.49 -1.24 1.05 5.12 -1.26 -4.90 116.66 111.32 1kuy n ARG 115 Ca 0.24 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.87 1kuy n ARG 115 Cb 0.80 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.74 1kuy n ARG 115 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1kuy s GLY 116 N -2.50 1.61 -0.08 -0.13 0.00 0.18 -4.98 107.32 101.42 1kuy s GLY 116 Ca 0.30 -0.15 0.11 0.00 0.00 0.00 0.00 44.72 44.99 1kuy s GLY 116 CO 0.44 0.36 1.06 1.42 0.00 0.00 0.00 173.10 176.39 1kuy n HIS 117 N -3.91 0.00 -5.02 1.90 8.25 -1.12 -4.68 115.22 110.65 1kuy n HIS 117 Ca 0.07 -0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 56.53 1kuy n HIS 117 Cb 0.56 -0.11 -0.16 0.00 1.12 0.00 0.00 29.99 31.40 1kuy n HIS 117 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1kuy s SER 118 N -2.07 2.60 -0.45 0.41 0.01 -0.99 -0.80 113.70 112.40 1kuy s SER 118 Ca 0.19 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 56.77 1kuy s SER 118 Cb 0.17 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.50 1kuy s SER 118 CO 0.02 0.16 0.83 0.00 0.41 0.00 0.00 173.24 174.66 1kuy s ALA 119 N 0.16 3.28 -0.54 1.44 0.00 0.67 -1.07 121.76 125.70 1kuy s ALA 119 Ca -0.10 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1kuy s ALA 119 Cb -0.15 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1kuy s ALA 119 CO 0.05 -1.96 0.68 -1.58 0.00 0.00 0.00 175.76 172.95 1kuy s HIS 120 N 3.43 3.00 -0.69 0.00 5.04 0.21 -0.07 115.29 126.22 1kuy s HIS 120 Ca 0.32 -0.64 -0.27 0.00 -1.54 0.00 0.00 55.06 52.93 1kuy s HIS 120 Cb -0.11 -3.74 0.01 0.00 0.04 0.00 0.00 32.58 28.77 1kuy s HIS 120 CO 0.24 -1.16 1.51 -0.51 -2.34 0.00 0.00 174.74 172.48 1kuy s LEU 121 N 2.77 3.21 0.16 8.88 2.01 0.49 -2.60 118.68 133.61 1kuy s LEU 121 Ca 0.15 -0.13 -0.06 0.00 0.01 0.00 0.00 54.13 54.09 1kuy s LEU 121 Cb -0.20 -2.56 0.03 0.00 0.01 0.00 0.00 46.19 43.47 1kuy s LEU 121 CO 0.10 -2.05 1.45 0.45 1.01 0.00 0.00 176.35 177.32 1kuy h HIS 122 N 11.95 0.84 -2.56 0.29 3.86 -1.62 -3.42 115.15 124.49 1kuy h HIS 122 Ca -0.27 -0.31 -0.10 0.00 -1.16 0.00 0.00 60.37 58.53 1kuy h HIS 122 Cb 1.09 -0.15 -0.21 0.00 1.06 0.00 0.00 27.41 29.20 1kuy h HIS 122 CO 1.10 1.08 -0.10 0.00 0.86 0.00 0.00 177.93 180.86 1kuy s ALA 123 N -3.99 -1.22 -0.07 2.45 0.00 -1.22 -4.85 121.76 112.86 1kuy s ALA 123 Ca -0.08 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 1kuy s ALA 123 Cb 0.11 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1kuy s ALA 123 CO 0.86 -0.27 0.16 -1.17 0.00 0.00 0.00 175.76 175.34 1kuy s LEU 124 N -0.52 0.50 0.06 0.00 2.96 -1.26 -2.22 118.68 118.19 1kuy s LEU 124 Ca -0.06 0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.92 1kuy s LEU 124 Cb -0.03 0.38 0.06 0.00 0.50 0.00 0.00 46.19 47.10 1kuy s LEU 124 CO 0.04 -0.17 0.59 0.00 -1.32 0.00 0.00 176.35 175.49 1kuy s ALA 125 N 1.45 -1.55 0.02 5.97 0.00 -1.10 -5.04 121.76 121.52 1kuy s ALA 125 Ca -0.06 0.77 0.07 0.00 0.00 0.00 0.00 51.96 52.74 1kuy s ALA 125 Cb -0.12 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1kuy s ALA 125 CO -0.06 -0.56 -0.22 0.08 0.00 0.00 0.00 175.76 175.00 1kuy s VAL 126 N -2.53 1.74 0.54 0.00 1.01 -1.26 -2.00 120.40 117.90 1kuy s VAL 126 Ca -0.05 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1kuy s VAL 126 Cb -0.01 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1kuy s VAL 126 CO -0.02 0.32 0.93 1.57 0.00 0.00 0.00 175.10 177.90 1kuy n HIS 127 N 2.07 0.78 -0.03 5.22 -0.00 0.12 -4.85 115.22 118.53 1kuy n HIS 127 Ca -0.16 0.47 0.14 0.00 0.46 0.00 0.00 57.72 58.63 1kuy n HIS 127 Cb 0.53 -2.15 0.57 0.00 -0.12 0.00 0.00 29.99 28.82 1kuy n HIS 127 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1kuy h ARG 128 N 0.81 0.25 0.00 1.57 2.43 -1.93 -1.60 114.38 115.91 1kuy h ARG 128 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1kuy h ARG 128 Cb 1.36 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1kuy h ARG 128 CO 0.52 0.16 -0.44 0.43 -1.51 0.00 0.00 179.97 179.14 1kuy n SER 129 N -4.45 0.75 -0.99 -3.80 7.64 -1.26 -4.17 113.62 107.33 1kuy n SER 129 Ca 0.09 0.26 0.07 0.00 1.01 0.00 0.00 58.87 60.30 1kuy n SER 129 Cb 0.43 -0.13 0.26 0.00 -1.01 0.00 0.00 64.21 63.76 1kuy n SER 129 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1kuy n PHE 130 N -2.17 1.05 -2.32 1.43 3.01 -0.61 -5.05 117.46 112.79 1kuy n PHE 130 Ca 0.04 -0.95 -0.27 0.00 1.01 0.00 0.00 57.45 57.28 1kuy n PHE 130 Cb 0.44 -0.35 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1kuy n PHE 130 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1kuy s ARG 131 N -2.88 2.88 -1.43 -1.08 0.52 -1.19 -4.32 118.95 111.46 1kuy s ARG 131 Ca 0.43 0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 1kuy s ARG 131 Cb 0.35 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1kuy s ARG 131 CO 0.08 -0.76 0.58 1.04 0.02 0.00 0.00 175.30 176.26 1kuy n GLN 132 N -2.65 -4.62 -0.66 3.54 6.02 -1.26 -4.89 117.38 112.87 1kuy n GLN 132 Ca 0.05 0.84 0.04 0.00 -0.01 0.00 0.00 57.00 57.92 1kuy n GLN 132 Cb 0.58 -5.55 0.07 0.00 1.02 0.00 0.00 30.24 26.36 1kuy n GLN 132 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1kuy n GLN 133 N -3.79 0.57 -0.90 -1.09 6.02 -1.26 -4.98 117.38 111.93 1kuy n GLN 133 Ca -0.10 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1kuy n GLN 133 Cb 0.61 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 31.07 1kuy n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kuy n GLY 134 N -0.41 0.60 0.18 1.08 0.00 -1.26 -4.91 105.19 100.47 1kuy n GLY 134 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1kuy n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kuy h LYS 135 N 1.69 0.53 -0.02 1.61 1.57 -1.94 0.12 116.57 120.14 1kuy h LYS 135 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1kuy h LYS 135 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1kuy h LYS 135 CO 0.00 0.66 -0.01 0.78 -0.57 0.00 0.00 179.45 180.32 1kuy h GLY 136 N 0.34 0.01 0.71 3.86 0.00 -1.91 0.21 103.07 106.30 1kuy h GLY 136 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1kuy h GLY 136 CO 0.01 -0.01 0.01 1.76 0.00 0.00 0.00 176.54 178.32 1kuy h SER 137 N -0.00 -0.05 -0.17 0.19 0.02 -1.95 0.18 113.55 111.77 1kuy h SER 137 Ca 0.01 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1kuy h SER 137 Cb 0.02 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1kuy h SER 137 CO -0.02 0.00 0.03 0.58 -1.14 0.00 0.00 176.83 176.28 1kuy h VAL 138 N 0.08 0.92 -0.59 2.27 2.07 -0.46 -1.32 116.25 119.22 1kuy h VAL 138 Ca 0.10 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1kuy h VAL 138 Cb 0.11 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1kuy h VAL 138 CO -0.15 0.02 0.31 0.25 0.02 0.00 0.00 177.57 178.01 1kuy h LEU 139 N 0.09 0.75 -0.61 2.57 5.85 -0.20 -2.30 115.31 121.46 1kuy h LEU 139 Ca 0.08 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1kuy h LEU 139 Cb 0.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1kuy h LEU 139 CO -0.11 0.64 0.36 0.25 -0.34 0.00 0.00 178.44 179.25 1kuy h LEU 140 N 0.80 0.58 -0.39 2.25 5.85 -0.29 -0.44 115.31 123.67 1kuy h LEU 140 Ca 0.21 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1kuy h LEU 140 Cb 0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1kuy h LEU 140 CO -0.03 0.40 0.04 -0.50 -0.34 0.00 0.00 178.44 178.01 1kuy h TRP 141 N 0.71 0.70 -0.21 1.25 4.06 -1.02 -0.83 115.95 120.60 1kuy h TRP 141 Ca 0.25 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 1kuy h TRP 141 Cb 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1kuy h TRP 141 CO -0.06 0.70 -0.06 -0.09 -3.56 0.00 0.00 178.44 175.37 1kuy h ARG 142 N 0.49 0.33 0.01 0.49 2.43 -1.17 -1.51 114.38 115.45 1kuy h ARG 142 Ca 0.11 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1kuy h ARG 142 Cb 0.40 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1kuy h ARG 142 CO 0.01 0.41 -0.01 -0.92 -1.51 0.00 0.00 179.97 177.95 1kuy h TYR 143 N 0.32 -0.01 -0.83 2.20 3.20 -0.65 0.31 116.97 121.50 1kuy h TYR 143 Ca 0.07 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1kuy h TYR 143 Cb 0.31 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 1kuy h TYR 143 CO 0.01 0.34 0.50 -0.07 -1.64 0.00 0.00 178.16 177.30 1kuy h LEU 144 N -0.37 0.77 -0.68 2.82 3.38 -0.91 -0.26 115.31 120.05 1kuy h LEU 144 Ca -0.00 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1kuy h LEU 144 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1kuy h LEU 144 CO 0.00 0.48 -0.49 0.45 0.09 0.00 0.00 178.44 178.97 1kuy h HIS 145 N 0.89 0.52 -0.16 1.13 3.86 -1.14 -1.69 115.15 118.56 1kuy h HIS 145 Ca 0.37 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1kuy h HIS 145 Cb 0.23 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1kuy h HIS 145 CO -0.04 0.83 -0.02 1.25 0.86 0.00 0.00 177.93 180.81 1kuy h HIS 146 N 0.34 0.33 0.00 2.45 -0.00 0.94 -2.98 115.15 116.23 1kuy h HIS 146 Ca 0.02 -0.06 -0.19 0.00 -0.00 0.00 0.00 60.37 60.14 1kuy h HIS 146 Cb 0.99 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.29 1kuy h HIS 146 CO 0.03 0.54 -0.91 -0.39 -0.00 0.00 0.00 177.93 177.20 1kuy h VAL 147 N 0.02 1.46 0.00 5.26 -1.51 -1.16 -3.07 116.25 117.25 1kuy h VAL 147 Ca 0.04 -3.08 0.00 0.00 -1.23 0.00 0.00 66.70 62.43 1kuy h VAL 147 Cb 0.42 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1kuy h VAL 147 CO 0.01 0.83 0.00 0.61 -1.23 0.00 0.00 177.57 177.79 1kuy n GLY 148 N 1.33 -0.99 0.16 5.19 0.00 -0.64 -1.26 105.19 108.99 1kuy n GLY 148 Ca -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1kuy n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kuy h ALA 149 N 2.49 0.83 -2.45 4.61 0.00 -1.42 -3.46 119.26 119.86 1kuy h ALA 149 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1kuy h ALA 149 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1kuy h ALA 149 CO 0.00 0.00 0.40 -1.14 0.00 0.00 0.00 179.25 178.51 1kuy s GLN 150 N -3.23 4.16 0.38 0.00 0.74 -0.39 -4.96 119.66 116.36 1kuy s GLN 150 Ca 0.06 1.45 0.08 0.00 0.05 0.00 0.00 55.36 57.00 1kuy s GLN 150 Cb 0.08 -2.48 0.75 0.00 1.10 0.00 0.00 33.01 32.46 1kuy s GLN 150 CO 0.70 -0.14 1.93 -1.00 -0.55 0.00 0.00 175.29 176.23 1kuy h PRO 151 N 2.39 0.37 0.10 1.67 0.13 -1.88 -3.32 132.00 131.46 1kuy h PRO 151 Ca -0.48 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1kuy h PRO 151 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1kuy h PRO 151 CO 0.62 0.42 -0.05 0.00 -0.23 0.00 0.00 178.00 178.76 1kuy h ALA 152 N 1.62 -0.14 -0.88 -0.56 0.00 -1.91 -3.45 119.26 113.94 1kuy h ALA 152 Ca 0.08 -0.08 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1kuy h ALA 152 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1kuy h ALA 152 CO 0.01 -0.13 1.29 0.28 0.00 0.00 0.00 179.25 180.70 1kuy n VAL 153 N -4.86 0.16 0.10 0.00 0.31 -1.25 -4.65 118.33 108.15 1kuy n VAL 153 Ca -0.03 -0.15 0.01 0.00 -0.01 0.00 0.00 64.34 64.16 1kuy n VAL 153 Cb 0.11 -1.26 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 1kuy n VAL 153 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1kuy n ARG 154 N 7.48 6.18 -3.60 5.55 1.74 0.02 -4.70 116.66 129.33 1kuy n ARG 154 Ca 0.42 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.36 1kuy n ARG 154 Cb 0.14 -0.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1kuy n ARG 154 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1kuy s ARG 155 N -1.20 1.01 0.05 5.56 3.52 -1.07 -1.31 118.95 125.50 1kuy s ARG 155 Ca 0.01 -0.27 0.09 0.00 -0.13 0.00 0.00 55.73 55.43 1kuy s ARG 155 Cb 0.02 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.83 1kuy s ARG 155 CO 0.09 -0.36 -0.25 0.00 -0.81 0.00 0.00 175.30 173.97 1kuy s ALA 156 N -2.46 2.33 -0.05 6.12 0.00 -0.26 -0.24 121.76 127.19 1kuy s ALA 156 Ca -0.05 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1kuy s ALA 156 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1kuy s ALA 156 CO -0.02 0.54 0.19 0.14 0.00 0.00 0.00 175.76 176.61 1kuy s VAL 157 N -0.84 0.02 0.26 0.00 -7.23 0.90 -0.84 120.40 112.68 1kuy s VAL 157 Ca 0.12 -0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 59.91 1kuy s VAL 157 Cb -0.10 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.52 1kuy s VAL 157 CO 0.03 -0.11 0.64 -1.48 -0.31 0.00 0.00 175.10 173.87 1kuy s LEU 158 N -0.33 -0.13 0.16 1.32 0.05 -0.99 -0.38 118.68 118.38 1kuy s LEU 158 Ca -0.04 -0.62 0.10 0.00 0.05 0.00 0.00 54.13 53.62 1kuy s LEU 158 Cb -0.03 2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 46.53 1kuy s LEU 158 CO 0.01 -1.25 -0.23 0.00 -0.55 0.00 0.00 176.35 174.34 1kuy s MET 159 N -3.92 1.36 0.21 1.48 0.23 -1.26 -1.42 119.30 115.97 1kuy s MET 159 Ca 0.12 -1.39 -0.21 0.00 -1.03 0.00 0.00 55.69 53.19 1kuy s MET 159 Cb -0.04 -1.64 0.04 0.00 -1.53 0.00 0.00 34.83 31.66 1kuy s MET 159 CO 0.05 0.36 0.61 0.00 -2.03 0.00 0.00 175.02 174.01 1kuy s GLU 161 N -3.84 4.04 0.58 0.00 8.01 -1.26 0.23 118.70 126.46 1kuy s GLU 161 Ca 0.06 1.60 0.37 0.00 0.01 0.00 0.00 54.97 57.02 1kuy s GLU 161 Cb -0.02 -2.51 1.40 0.00 -4.31 0.00 0.00 34.13 28.69 1kuy s GLU 161 CO -0.04 -0.27 1.57 -0.44 0.01 0.00 0.00 175.26 176.09 1kuy h ASP 162 N 2.37 0.00 0.22 -0.19 3.45 -1.93 0.77 116.42 121.11 1kuy h ASP 162 Ca -0.49 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 56.93 1kuy h ASP 162 Cb 1.22 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.99 1kuy h ASP 162 CO 0.62 0.00 -0.19 0.00 -1.57 0.00 0.00 179.24 178.10 1kuy h ALA 163 N 0.98 1.62 -0.02 3.45 0.00 -2.00 -2.91 119.26 120.38 1kuy h ALA 163 Ca 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1kuy h ALA 163 Cb 2.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.63 1kuy h ALA 163 CO -0.01 0.23 -0.19 1.28 0.00 0.00 0.00 179.25 180.57 1kuy n LEU 164 N -4.21 2.04 -0.11 0.00 4.77 0.26 -4.46 117.00 115.29 1kuy n LEU 164 Ca -0.02 -0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 55.21 1kuy n LEU 164 Cb 0.25 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1kuy n LEU 164 CO 0.36 0.36 0.93 0.58 -1.33 0.00 0.00 177.39 178.28 1kuy h VAL 165 N 2.91 0.87 -0.21 4.08 2.07 -1.59 -1.10 116.25 123.27 1kuy h VAL 165 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1kuy h VAL 165 Cb 0.73 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1kuy h VAL 165 CO 0.00 0.05 0.02 1.55 0.02 0.00 0.00 177.57 179.21 1kuy h PRO 166 N 0.26 0.30 0.46 1.57 0.13 -1.80 -1.90 132.00 131.03 1kuy h PRO 166 Ca 0.17 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1kuy h PRO 166 Cb 0.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1kuy h PRO 166 CO -0.19 0.31 -0.22 0.35 -0.23 0.00 0.00 178.00 178.02 1kuy h PHE 167 N 0.30 -0.58 0.00 1.56 3.57 -1.51 -2.71 116.94 117.57 1kuy h PHE 167 Ca 0.07 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1kuy h PHE 167 Cb 0.17 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1kuy h PHE 167 CO 0.00 -0.32 -0.03 1.88 -2.23 0.00 0.00 178.31 177.62 1kuy h TYR 168 N -0.71 0.00 0.00 0.41 -1.99 -1.03 -2.15 116.97 111.51 1kuy h TYR 168 Ca -0.06 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.62 1kuy h TYR 168 Cb 0.52 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1kuy h TYR 168 CO -0.03 0.03 -0.21 1.96 -0.00 0.00 0.00 178.16 179.91 1kuy h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.01 -1.87 115.11 121.30 1kuy h GLN 169 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kuy h GLN 169 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1kuy h GLN 169 CO 0.00 0.21 0.00 0.54 -0.67 0.00 0.00 178.83 178.92 1kuy n ARG 170 N -3.76 0.09 0.00 1.46 1.74 -0.81 -1.81 116.66 113.56 1kuy n ARG 170 Ca -0.02 0.42 0.07 0.00 -0.77 0.00 0.00 57.85 57.56 1kuy n ARG 170 Cb 0.32 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1kuy n ARG 170 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1kuy n PHE 171 N -1.87 0.00 0.00 -1.55 3.72 -0.73 -4.96 117.46 112.07 1kuy n PHE 171 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1kuy n PHE 171 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1kuy n PHE 171 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kuy n GLY 172 N 0.91 0.63 3.76 1.37 0.00 -0.75 -5.05 105.19 106.07 1kuy n GLY 172 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1kuy n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kuy s PHE 173 N -2.00 3.47 -0.09 1.61 0.08 -1.04 -4.53 117.98 115.48 1kuy s PHE 173 Ca 0.00 1.68 0.03 0.00 0.12 0.00 0.00 56.93 58.76 1kuy s PHE 173 Cb 0.00 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1kuy s PHE 173 CO 0.00 -0.61 -0.19 -1.01 -0.10 0.00 0.00 175.22 173.31 1kuy s HIS 174 N -1.30 2.63 0.14 0.36 3.76 0.44 -4.09 115.29 117.23 1kuy s HIS 174 Ca 0.48 -0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 54.37 1kuy s HIS 174 Cb -0.29 -1.71 -0.10 0.00 1.11 0.00 0.00 32.58 31.58 1kuy s HIS 174 CO 0.38 -0.22 1.75 -1.25 -0.85 0.00 0.00 174.74 174.55 1kuy s PRO 175 N 0.06 4.15 -0.37 8.40 0.04 -1.26 -2.15 135.00 143.87 1kuy s PRO 175 Ca -0.08 2.54 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1kuy s PRO 175 Cb -0.15 -3.41 0.50 0.00 0.04 0.00 0.00 34.50 31.48 1kuy s PRO 175 CO 0.05 -0.78 1.54 0.00 0.04 0.00 0.00 177.00 177.85 1kuy n ALA 176 N 5.03 4.95 -0.20 8.56 0.00 0.13 -4.93 120.51 134.05 1kuy n ALA 176 Ca 0.17 -3.35 0.02 0.00 0.00 0.00 0.00 53.44 50.28 1kuy n ALA 176 Cb 0.38 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1kuy n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kuy n GLY 177 N -1.00 -2.14 3.66 0.00 0.00 -1.25 -4.70 105.19 99.76 1kuy n GLY 177 Ca 0.43 -1.45 -0.48 0.00 0.00 0.00 0.00 46.02 44.52 1kuy n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kuy n PRO 178 N -1.18 1.90 -2.70 1.61 -0.02 -1.26 -1.01 135.00 132.33 1kuy n PRO 178 Ca 0.00 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1kuy n PRO 178 Cb 0.07 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 1kuy n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kuy h ALA 180 N 4.43 1.01 -2.65 0.00 0.00 -1.88 -3.43 119.26 116.74 1kuy h ALA 180 Ca -0.45 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.49 1kuy h ALA 180 Cb 1.20 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.97 1kuy h ALA 180 CO 0.69 0.62 0.94 0.42 0.00 0.00 0.00 179.25 181.91 1kuy s ILE 181 N -3.64 2.31 -0.05 0.00 1.01 -1.26 -4.86 121.20 114.70 1kuy s ILE 181 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1kuy s ILE 181 Cb 0.12 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1kuy s ILE 181 CO 0.73 0.02 -0.02 -0.69 0.00 0.00 0.00 174.94 174.97 1kuy s VAL 182 N 1.03 4.07 -0.32 2.92 1.01 -1.26 -4.62 120.40 123.23 1kuy s VAL 182 Ca 0.71 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1kuy s VAL 182 Cb -0.47 -2.73 0.14 0.00 0.00 0.00 0.00 36.38 33.32 1kuy s VAL 182 CO 0.33 0.53 0.28 -0.69 0.00 0.00 0.00 175.10 175.55 1kuy s VAL 183 N -0.92 -0.23 0.00 2.92 1.01 -1.19 -5.07 120.40 116.91 1kuy s VAL 183 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1kuy s VAL 183 Cb -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1kuy s VAL 183 CO 0.04 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1kuy n GLY 184 N 4.77 2.29 0.01 4.51 0.00 -1.26 -1.80 105.19 113.72 1kuy n GLY 184 Ca 0.04 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1kuy n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kuy n SER 185 N 3.46 0.49 -4.76 1.61 3.41 -1.26 -4.93 113.62 111.64 1kuy n SER 185 Ca 0.00 -0.23 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 1kuy n SER 185 Cb 0.00 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1kuy n SER 185 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1kuy s LEU 186 N -2.97 4.48 0.25 1.04 1.43 -0.74 -5.08 118.68 117.09 1kuy s LEU 186 Ca 0.12 2.17 0.11 0.00 -1.03 0.00 0.00 54.13 55.50 1kuy s LEU 186 Cb 0.18 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1kuy s LEU 186 CO 0.68 -0.16 -0.20 0.42 0.23 0.00 0.00 176.35 177.31 1kuy s THR 187 N -1.27 2.35 0.05 5.49 -4.23 -1.26 -3.15 115.64 113.61 1kuy s THR 187 Ca 0.47 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1kuy s THR 187 Cb -0.29 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1kuy s THR 187 CO 0.37 -0.36 0.03 -0.36 -0.54 0.00 0.00 174.62 173.76 1kuy s PHE 188 N -2.38 0.34 -0.21 3.99 0.40 -1.26 -4.59 117.98 114.27 1kuy s PHE 188 Ca 0.27 -0.76 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 1kuy s PHE 188 Cb -0.05 -0.25 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 1kuy s PHE 188 CO 0.13 -0.37 0.17 0.99 0.70 0.00 0.00 175.22 176.84 1kuy s THR 189 N -3.14 5.37 0.39 0.64 2.01 0.14 -0.71 115.64 120.34 1kuy s THR 189 Ca -0.00 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 1kuy s THR 189 Cb 0.02 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1kuy s THR 189 CO -0.07 0.40 0.96 -0.70 -0.69 0.00 0.00 174.62 174.52 1kuy s GLU 190 N 0.64 4.32 -0.03 4.92 2.12 -0.18 -2.24 118.70 128.25 1kuy s GLU 190 Ca 0.09 1.24 -0.03 0.00 0.36 0.00 0.00 54.97 56.64 1kuy s GLU 190 Cb -0.12 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.86 1kuy s GLU 190 CO 0.01 0.05 0.08 -1.64 -0.54 0.00 0.00 175.26 173.22 1kuy s MET 191 N -2.73 0.09 0.03 4.30 -1.94 -0.50 0.22 119.30 118.76 1kuy s MET 191 Ca 0.58 0.14 0.08 0.00 -1.71 0.00 0.00 55.69 54.78 1kuy s MET 191 Cb -0.14 0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.68 1kuy s MET 191 CO 0.18 -0.03 -0.24 -1.01 -0.01 0.00 0.00 175.02 173.92 1kuy s HIS 192 N 0.20 2.07 -0.15 -0.03 0.09 -0.91 -2.34 115.29 114.22 1kuy s HIS 192 Ca -0.01 -0.39 -0.01 0.00 -0.00 0.00 0.00 55.06 54.65 1kuy s HIS 192 Cb -0.02 -1.26 0.04 0.00 -0.00 0.00 0.00 32.58 31.34 1kuy s HIS 192 CO -0.01 0.08 -0.06 0.00 -0.00 0.00 0.00 174.74 174.76 1kuy s SER 194 N 1.67 6.60 0.00 0.00 0.15 -1.26 -1.11 113.70 119.75 1kuy s SER 194 Ca 0.02 2.64 0.09 0.00 0.70 0.00 0.00 55.95 59.40 1kuy s SER 194 Cb -0.14 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.63 1kuy s SER 194 CO -0.08 -0.79 0.79 0.18 1.20 0.00 0.00 173.24 174.54