#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk8 s VAL 41 N 0.00 4.73 0.16 2.97 1.01 -1.26 -5.00 120.40 123.02 1xk8 s VAL 41 Ca 0.00 1.55 -0.34 0.00 0.00 0.00 0.00 61.98 63.19 1xk8 s VAL 41 Cb 0.00 -4.22 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1xk8 s VAL 41 CO 0.00 -0.23 1.33 -2.65 0.00 0.00 0.00 175.10 173.55 1xk8 n PRO 42 N 6.29 1.52 -1.00 2.72 -0.02 -1.26 -1.93 135.00 141.32 1xk8 n PRO 42 Ca 0.07 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1xk8 n PRO 42 Cb 0.47 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1xk8 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xk8 n GLY 43 N 2.40 0.40 0.11 -1.23 0.00 0.41 -4.89 105.19 102.39 1xk8 n GLY 43 Ca 0.15 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1xk8 n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xk8 h SER 44 N 0.00 0.00 -3.40 1.61 4.64 -1.58 -3.43 113.55 111.39 1xk8 h SER 44 Ca -0.00 -0.08 -0.67 0.00 -0.47 0.00 0.00 61.79 60.56 1xk8 h SER 44 Cb 0.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.16 1xk8 h SER 44 CO 0.00 0.04 -0.64 -0.69 -0.87 0.00 0.00 176.83 174.67 1xk8 s VAL 45 N -3.18 4.14 0.17 0.95 1.01 -1.26 0.30 120.40 122.52 1xk8 s VAL 45 Ca 0.07 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1xk8 s VAL 45 Cb 0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1xk8 s VAL 45 CO 0.69 0.49 -0.17 -0.44 0.00 0.00 0.00 175.10 175.67 1xk8 s SER 46 N -1.20 2.59 -0.33 3.32 0.01 0.47 -0.94 113.70 117.61 1xk8 s SER 46 Ca 0.16 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 1xk8 s SER 46 Cb -0.11 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1xk8 s SER 46 CO 0.06 -0.07 0.09 0.00 0.41 0.00 0.00 173.24 173.72 1xk8 s ALA 47 N -2.23 3.00 -0.12 1.44 0.00 0.59 -1.77 121.76 122.66 1xk8 s ALA 47 Ca 0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1xk8 s ALA 47 Cb -0.05 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1xk8 s ALA 47 CO 0.06 -1.34 0.22 0.00 0.00 0.00 0.00 175.76 174.70 1xk8 s ALA 48 N 1.36 3.74 -0.17 0.00 0.00 0.15 -1.05 121.76 125.79 1xk8 s ALA 48 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1xk8 s ALA 48 Cb -0.20 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1xk8 s ALA 48 CO 0.02 0.39 -0.01 -0.06 0.00 0.00 0.00 175.76 176.09 1xk8 s PHE 49 N -0.43 3.06 -0.06 0.00 0.40 0.15 0.22 117.98 121.32 1xk8 s PHE 49 Ca 0.16 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1xk8 s PHE 49 Cb -0.13 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.41 1xk8 s PHE 49 CO 0.05 -0.08 -0.10 0.08 0.70 0.00 0.00 175.22 175.87 1xk8 s VAL 50 N 0.56 0.96 -0.08 -0.44 1.01 -0.49 -2.14 120.40 119.78 1xk8 s VAL 50 Ca -0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1xk8 s VAL 50 Cb -0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1xk8 s VAL 50 CO 0.02 0.32 0.38 -0.89 0.00 0.00 0.00 175.10 174.93 1xk8 s THR 51 N 0.78 5.17 0.14 3.92 2.01 -1.23 -0.12 115.64 126.31 1xk8 s THR 51 Ca -0.13 0.76 0.09 0.00 0.31 0.00 0.00 61.69 62.72 1xk8 s THR 51 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1xk8 s THR 51 CO 0.02 0.46 -0.20 0.00 -0.69 0.00 0.00 174.62 174.22 1xk8 h PRO 53 N 3.57 0.16 -3.20 0.00 0.13 -1.86 0.69 132.00 131.49 1xk8 h PRO 53 Ca -0.44 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1xk8 h PRO 53 Cb 1.20 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1xk8 h PRO 53 CO 0.46 0.35 0.17 0.54 -0.23 0.00 0.00 178.00 179.30 1xk8 s ASN 54 N -6.91 0.06 0.16 1.44 2.20 -1.26 -4.28 114.94 106.34 1xk8 s ASN 54 Ca -0.05 -1.05 -0.10 0.00 -0.94 0.00 0.00 52.86 50.72 1xk8 s ASN 54 Cb 0.15 0.78 0.01 0.00 -2.00 0.00 0.00 41.25 40.19 1xk8 s ASN 54 CO 0.73 -1.52 1.54 -0.08 -2.94 0.00 0.00 177.10 174.83 1xk8 h GLU 55 N 2.03 0.98 -0.06 3.55 4.81 -1.94 -2.72 114.58 121.24 1xk8 h GLU 55 Ca -0.28 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 58.54 1xk8 h GLU 55 Cb 1.25 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1xk8 h GLU 55 CO 0.36 1.11 -0.09 -0.22 -0.73 0.00 0.00 179.01 179.44 1xk8 h LYS 56 N 0.83 -0.12 -0.30 1.92 3.64 -1.99 0.00 116.57 120.55 1xk8 h LYS 56 Ca 0.10 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1xk8 h LYS 56 Cb 0.83 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1xk8 h LYS 56 CO 0.07 -0.08 0.09 0.28 -2.27 0.00 0.00 179.45 177.54 1xk8 h VAL 57 N -0.13 1.20 -0.60 2.00 2.07 -1.99 -1.68 116.25 117.12 1xk8 h VAL 57 Ca 0.06 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1xk8 h VAL 57 Cb 0.20 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1xk8 h VAL 57 CO -0.14 0.22 0.34 0.00 0.02 0.00 0.00 177.57 178.01 1xk8 h ALA 58 N 0.93 0.78 -0.50 1.67 0.00 -1.25 -0.62 119.26 120.26 1xk8 h ALA 58 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xk8 h ALA 58 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xk8 h ALA 58 CO -0.00 0.04 0.20 0.87 0.00 0.00 0.00 179.25 180.35 1xk8 h LYS 59 N 0.66 0.76 -0.20 0.00 1.57 -0.88 0.15 116.57 118.61 1xk8 h LYS 59 Ca 0.25 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1xk8 h LYS 59 Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xk8 h LYS 59 CO -0.14 0.67 0.08 0.93 -0.57 0.00 0.00 179.45 180.42 1xk8 h GLU 60 N 0.68 0.18 -0.37 3.15 5.08 -0.79 0.73 114.58 123.23 1xk8 h GLU 60 Ca 0.17 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1xk8 h GLU 60 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xk8 h GLU 60 CO -0.01 0.12 0.08 0.82 -1.00 0.00 0.00 179.01 179.01 1xk8 h ILE 61 N 0.18 1.23 -0.05 3.13 2.04 -1.00 -1.78 117.51 121.25 1xk8 h ILE 61 Ca 0.08 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1xk8 h ILE 61 Cb 0.04 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1xk8 h ILE 61 CO -0.08 0.27 -0.06 0.00 0.00 0.00 0.00 178.15 178.28 1xk8 h ALA 62 N 0.93 -0.02 -0.87 1.87 0.00 -0.44 -1.03 119.26 119.70 1xk8 h ALA 62 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xk8 h ALA 62 Cb 0.32 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xk8 h ALA 62 CO 0.00 -0.54 0.56 0.00 0.00 0.00 0.00 179.25 179.28 1xk8 h ARG 63 N -0.09 1.16 0.04 0.00 3.08 -0.81 -2.78 114.38 114.97 1xk8 h ARG 63 Ca 0.05 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xk8 h ARG 63 Cb 0.15 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1xk8 h ARG 63 CO -0.11 0.78 -0.02 0.00 -1.07 0.00 0.00 179.97 179.55 1xk8 h ALA 64 N 1.31 -0.05 -0.26 0.04 0.00 -0.92 -0.77 119.26 118.61 1xk8 h ALA 64 Ca 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xk8 h ALA 64 Cb -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xk8 h ALA 64 CO -0.07 -0.45 0.02 -0.39 0.00 0.00 0.00 179.25 178.36 1xk8 h VAL 65 N -0.20 1.15 -0.07 0.00 -1.51 -1.12 0.19 116.25 114.70 1xk8 h VAL 65 Ca -0.01 -0.57 -0.06 0.00 -1.23 0.00 0.00 66.70 64.84 1xk8 h VAL 65 Cb 0.18 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1xk8 h VAL 65 CO 0.01 0.19 -0.19 0.58 -1.23 0.00 0.00 177.57 176.93 1xk8 h VAL 66 N 0.38 1.43 -0.81 7.19 2.07 -1.42 0.25 116.25 125.34 1xk8 h VAL 66 Ca 0.09 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.07 1xk8 h VAL 66 Cb 0.22 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1xk8 h VAL 66 CO 0.00 0.44 0.53 -0.08 0.02 0.00 0.00 177.57 178.49 1xk8 h GLU 67 N -0.25 1.01 -0.02 1.57 4.81 -0.67 -0.95 114.58 120.08 1xk8 h GLU 67 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xk8 h GLU 67 Cb 0.81 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1xk8 h GLU 67 CO 0.04 0.67 0.00 1.63 -0.73 0.00 0.00 179.01 180.62 1xk8 n LYS 68 N -4.43 1.11 -1.43 1.92 4.76 0.63 -4.91 118.16 115.81 1xk8 n LYS 68 Ca 0.10 -0.17 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 1xk8 n LYS 68 Cb 0.07 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 31.81 1xk8 n LYS 68 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1xk8 n ARG 69 N -0.70 -1.07 0.06 1.97 5.12 -0.36 -4.88 116.66 116.80 1xk8 n ARG 69 Ca 0.18 1.01 0.13 0.00 -1.93 0.00 0.00 57.85 57.24 1xk8 n ARG 69 Cb 0.12 -5.16 0.40 0.00 -1.16 0.00 0.00 32.46 26.66 1xk8 n ARG 69 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1xk8 n LEU 70 N -1.68 0.55 -3.76 0.55 4.77 0.86 -4.63 117.00 113.67 1xk8 n LEU 70 Ca -0.15 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1xk8 n LEU 70 Cb 0.50 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1xk8 n LEU 70 CO 0.22 -0.08 0.03 0.00 -1.33 0.00 0.00 177.39 176.23 1xk8 s ALA 71 N -3.08 -0.80 0.02 -1.18 0.00 -1.01 -4.77 121.76 110.95 1xk8 s ALA 71 Ca 0.11 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1xk8 s ALA 71 Cb 0.15 0.03 -0.25 0.00 0.00 0.00 0.00 23.12 23.05 1xk8 s ALA 71 CO 0.61 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 177.22 1xk8 h ALA 72 N 3.98 0.06 -2.41 0.00 0.00 -1.46 -3.39 119.26 116.05 1xk8 h ALA 72 Ca -0.29 -0.64 0.14 0.00 0.00 0.00 0.00 54.91 54.12 1xk8 h ALA 72 Cb 1.18 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1xk8 h ALA 72 CO 0.39 0.49 0.45 0.00 0.00 0.00 0.00 179.25 180.58 1xk8 s VAL 74 N -3.31 0.55 -0.18 0.00 1.01 -1.26 -1.36 120.40 115.84 1xk8 s VAL 74 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1xk8 s VAL 74 Cb -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1xk8 s VAL 74 CO -0.01 0.22 0.09 0.20 0.00 0.00 0.00 175.10 175.60 1xk8 s ASN 75 N 0.73 5.87 -0.23 3.32 0.01 0.06 -4.95 114.94 119.75 1xk8 s ASN 75 Ca -0.10 0.17 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 1xk8 s ASN 75 Cb -0.13 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 1xk8 s ASN 75 CO 0.00 0.21 0.07 -0.76 -1.51 0.00 0.00 177.10 175.11 1xk8 s LEU 76 N 0.18 3.57 -0.32 0.60 1.43 -1.26 -0.17 118.68 122.71 1xk8 s LEU 76 Ca 0.06 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1xk8 s LEU 76 Cb -0.12 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1xk8 s LEU 76 CO -0.00 0.03 0.11 -0.63 0.23 0.00 0.00 176.35 176.08 1xk8 s ILE 77 N 1.24 4.01 0.64 -0.59 1.01 0.15 -4.97 121.20 122.68 1xk8 s ILE 77 Ca 0.05 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1xk8 s ILE 77 Cb -0.14 -3.15 0.12 0.00 0.01 0.00 0.00 42.46 39.29 1xk8 s ILE 77 CO 0.04 -0.04 0.87 -0.81 0.00 0.00 0.00 174.94 175.00 1xk8 n PRO 78 N 4.87 0.15 -3.65 2.79 -0.04 -1.26 -0.66 135.00 137.20 1xk8 n PRO 78 Ca -0.13 -2.65 -0.24 0.00 -0.04 0.00 0.00 63.50 60.43 1xk8 n PRO 78 Cb 0.47 -0.50 0.07 0.00 -0.04 0.00 0.00 33.50 33.50 1xk8 n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1xk8 n GLN 79 N -2.55 -7.23 -3.29 0.54 6.02 -1.25 -4.92 117.38 104.70 1xk8 n GLN 79 Ca 0.15 0.78 -0.38 0.00 -0.01 0.00 0.00 57.00 57.54 1xk8 n GLN 79 Cb 0.55 -5.78 -0.06 0.00 1.02 0.00 0.00 30.24 25.97 1xk8 n GLN 79 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xk8 s ILE 80 N -3.33 4.76 -0.29 5.09 -1.09 -0.67 -4.96 121.20 120.71 1xk8 s ILE 80 Ca 0.51 1.16 -0.06 0.00 -2.23 0.00 0.00 60.65 60.04 1xk8 s ILE 80 Cb -0.23 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1xk8 s ILE 80 CO 0.75 0.53 0.05 -0.89 -1.23 0.00 0.00 174.94 174.15 1xk8 s THR 81 N -1.14 3.75 -0.06 2.92 2.01 -1.26 -0.90 115.64 120.96 1xk8 s THR 81 Ca 0.30 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 1xk8 s THR 81 Cb -0.19 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1xk8 s THR 81 CO 0.19 0.09 0.40 -0.44 -0.69 0.00 0.00 174.62 174.17 1xk8 s SER 82 N 1.46 6.71 -0.19 3.53 0.01 -0.38 -4.92 113.70 119.91 1xk8 s SER 82 Ca 0.02 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1xk8 s SER 82 Cb -0.17 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 63.86 1xk8 s SER 82 CO 0.01 0.21 -0.07 -0.63 0.41 0.00 0.00 173.24 173.17 1xk8 s ILE 83 N -0.42 1.42 0.21 1.44 1.01 -1.26 -2.04 121.20 121.56 1xk8 s ILE 83 Ca 0.23 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 1xk8 s ILE 83 Cb -0.16 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1xk8 s ILE 83 CO 0.11 0.10 0.36 -0.72 0.00 0.00 0.00 174.94 174.79 1xk8 s TYR 84 N 1.48 0.46 -0.07 3.97 -0.85 -1.12 -5.00 117.35 116.22 1xk8 s TYR 84 Ca -0.01 -0.80 -0.12 0.00 -0.52 0.00 0.00 57.07 55.62 1xk8 s TYR 84 Cb -0.16 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.14 1xk8 s TYR 84 CO -0.08 -0.84 0.29 -2.00 -1.52 0.00 0.00 175.55 171.41 1xk8 s GLU 85 N -4.01 3.79 -0.16 -3.49 2.12 -1.26 -0.20 118.70 115.48 1xk8 s GLU 85 Ca 0.22 0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.66 1xk8 s GLU 85 Cb 0.02 -3.24 0.08 0.00 0.26 0.00 0.00 34.13 31.25 1xk8 s GLU 85 CO 0.05 0.66 0.34 -0.46 -0.54 0.00 0.00 175.26 175.32 1xk8 s TRP 86 N -0.86 -0.61 -1.36 5.30 -0.00 0.12 -4.90 118.94 116.64 1xk8 s TRP 86 Ca 0.20 1.25 -0.06 0.00 -0.00 0.00 0.00 56.10 57.48 1xk8 s TRP 86 Cb -0.14 0.14 0.03 0.00 -0.00 0.00 0.00 33.47 33.49 1xk8 s TRP 86 CO 0.09 -0.41 0.96 1.63 -0.00 0.00 0.00 176.95 179.22 1xk8 n LYS 87 N 5.29 -6.22 0.00 5.86 5.02 -1.26 -2.24 118.16 124.61 1xk8 n LYS 87 Ca -0.09 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1xk8 n LYS 87 Cb 0.50 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 1xk8 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xk8 n GLY 88 N -1.62 2.57 3.93 0.72 0.00 -1.26 -4.98 105.19 104.54 1xk8 n GLY 88 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1xk8 n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xk8 s LYS 89 N 0.00 3.48 -0.22 1.61 2.20 -0.95 -5.09 119.74 120.78 1xk8 s LYS 89 Ca 0.00 -0.43 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 1xk8 s LYS 89 Cb 0.00 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 1xk8 s LYS 89 CO 0.00 0.51 0.60 0.42 -0.36 0.00 0.00 175.35 176.52 1xk8 s ILE 90 N -1.69 5.03 0.17 5.43 1.01 -1.26 0.16 121.20 130.05 1xk8 s ILE 90 Ca 0.36 1.10 0.05 0.00 0.00 0.00 0.00 60.65 62.16 1xk8 s ILE 90 Cb -0.12 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1xk8 s ILE 90 CO 0.28 0.10 0.17 -1.61 0.00 0.00 0.00 174.94 173.89 1xk8 s GLU 91 N 2.02 3.02 -0.08 2.79 0.41 0.73 -4.96 118.70 122.62 1xk8 s GLU 91 Ca 0.27 -0.83 0.02 0.00 -0.41 0.00 0.00 54.97 54.01 1xk8 s GLU 91 Cb -0.16 -2.71 0.02 0.00 -1.78 0.00 0.00 34.13 29.50 1xk8 s GLU 91 CO 0.10 0.48 -0.12 -1.21 -0.49 0.00 0.00 175.26 174.02 1xk8 s GLU 92 N -3.20 1.76 0.12 1.61 2.02 -1.26 -2.79 118.70 116.97 1xk8 s GLU 92 Ca 0.32 -0.41 0.07 0.00 0.02 0.00 0.00 54.97 54.97 1xk8 s GLU 92 Cb -0.10 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1xk8 s GLU 92 CO 0.25 -0.03 -0.17 -0.51 0.02 0.00 0.00 175.26 174.81 1xk8 s ASP 93 N 0.88 2.34 -0.01 -0.19 1.01 -0.87 -4.96 116.67 114.87 1xk8 s ASP 93 Ca -0.10 -0.77 -0.29 0.00 0.71 0.00 0.00 52.55 52.10 1xk8 s ASP 93 Cb -0.15 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 1xk8 s ASP 93 CO 0.01 -0.04 0.95 -0.55 0.21 0.00 0.00 175.17 175.75 1xk8 s SER 94 N -2.28 7.32 0.22 0.27 0.15 -1.26 -1.25 113.70 116.87 1xk8 s SER 94 Ca 0.09 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1xk8 s SER 94 Cb -0.07 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1xk8 s SER 94 CO 0.04 -0.25 0.15 -1.61 1.20 0.00 0.00 173.24 172.77 1xk8 s GLU 95 N 1.04 1.27 -0.02 5.44 0.41 -0.07 -4.68 118.70 122.09 1xk8 s GLU 95 Ca 0.50 -1.68 0.05 0.00 -0.41 0.00 0.00 54.97 53.44 1xk8 s GLU 95 Cb -0.20 0.28 -0.01 0.00 -1.78 0.00 0.00 34.13 32.41 1xk8 s GLU 95 CO 0.26 -0.42 -0.18 0.08 -0.49 0.00 0.00 175.26 174.51 1xk8 s VAL 96 N -4.07 1.40 -0.13 2.63 1.01 0.24 -1.67 120.40 119.81 1xk8 s VAL 96 Ca 0.39 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1xk8 s VAL 96 Cb 0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1xk8 s VAL 96 CO 0.14 0.40 -0.08 -0.22 0.00 0.00 0.00 175.10 175.34 1xk8 s LEU 97 N -0.35 3.04 -0.18 3.92 2.96 0.16 -0.36 118.68 127.87 1xk8 s LEU 97 Ca 0.05 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1xk8 s LEU 97 Cb -0.08 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1xk8 s LEU 97 CO -0.00 0.20 0.09 -0.04 -1.32 0.00 0.00 176.35 175.27 1xk8 s MET 98 N 0.17 3.99 -0.39 1.98 -1.94 0.83 0.29 119.30 124.22 1xk8 s MET 98 Ca -0.04 -0.29 -0.08 0.00 -1.71 0.00 0.00 55.69 53.57 1xk8 s MET 98 Cb -0.14 -3.27 0.07 0.00 2.01 0.00 0.00 34.83 33.50 1xk8 s MET 98 CO 0.04 0.33 0.21 1.41 -0.01 0.00 0.00 175.02 176.99 1xk8 s MET 99 N 0.24 2.53 -0.24 2.03 1.75 0.76 -1.40 119.30 124.97 1xk8 s MET 99 Ca 0.06 -1.42 -0.09 0.00 -1.25 0.00 0.00 55.69 52.98 1xk8 s MET 99 Cb -0.12 -3.66 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 1xk8 s MET 99 CO -0.00 -0.88 0.11 0.42 -0.65 0.00 0.00 175.02 174.02 1xk8 s ILE 100 N 1.38 4.89 -0.25 10.11 1.01 0.13 -0.76 121.20 137.71 1xk8 s ILE 100 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1xk8 s ILE 100 Cb -0.22 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1xk8 s ILE 100 CO 0.01 0.35 0.11 -0.54 0.00 0.00 0.00 174.94 174.87 1xk8 s LYS 101 N 1.19 3.77 0.31 2.79 1.02 -0.47 0.29 119.74 128.64 1xk8 s LYS 101 Ca 0.06 -0.42 -0.13 0.00 0.02 0.00 0.00 55.97 55.50 1xk8 s LYS 101 Cb -0.14 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1xk8 s LYS 101 CO 0.05 -0.16 0.61 -0.08 -0.92 0.00 0.00 175.35 174.85 1xk8 s THR 102 N 1.58 0.00 0.49 2.17 -1.32 -0.73 -1.26 115.64 116.57 1xk8 s THR 102 Ca 0.06 -1.25 -0.23 0.00 -1.21 0.00 0.00 61.69 59.06 1xk8 s THR 102 Cb -0.15 -2.43 -0.06 0.00 -1.51 0.00 0.00 72.50 68.34 1xk8 s THR 102 CO 0.06 0.00 1.26 -1.10 -2.21 0.00 0.00 174.62 172.63 1xk8 s GLN 103 N -3.34 3.50 0.29 7.08 -0.21 -1.26 -0.40 119.66 125.33 1xk8 s GLN 103 Ca 0.20 2.01 0.07 0.00 0.02 0.00 0.00 55.36 57.66 1xk8 s GLN 103 Cb -0.03 -2.37 0.44 0.00 1.00 0.00 0.00 33.01 32.05 1xk8 s GLN 103 CO 0.12 -0.83 1.69 0.77 -2.12 0.00 0.00 175.29 174.91 1xk8 h SER 104 N 1.84 0.23 0.29 5.90 0.02 -0.43 -2.54 113.55 118.87 1xk8 h SER 104 Ca -0.50 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.34 1xk8 h SER 104 Cb 1.27 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1xk8 h SER 104 CO 0.59 0.65 -0.05 0.77 -1.14 0.00 0.00 176.83 177.65 1xk8 h SER 105 N 0.18 0.00 0.46 3.07 4.64 -1.92 -2.56 113.55 117.42 1xk8 h SER 105 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xk8 h SER 105 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1xk8 h SER 105 CO 0.07 0.05 -0.33 0.18 -0.87 0.00 0.00 176.83 175.92 1xk8 n LEU 106 N -3.44 0.59 -0.26 5.97 4.77 -0.96 -4.43 117.00 119.25 1xk8 n LEU 106 Ca -0.02 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1xk8 n LEU 106 Cb 0.17 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1xk8 n LEU 106 CO 0.26 0.13 1.14 0.58 -1.33 0.00 0.00 177.39 178.17 1xk8 h VAL 107 N 0.41 1.05 -0.67 4.08 2.07 -1.48 0.27 116.25 121.99 1xk8 h VAL 107 Ca 0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1xk8 h VAL 107 Cb 0.48 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1xk8 h VAL 107 CO 0.00 0.15 0.42 -0.65 0.02 0.00 0.00 177.57 177.51 1xk8 h PRO 108 N 0.84 0.81 -0.57 1.57 0.11 -1.80 0.32 132.00 133.27 1xk8 h PRO 108 Ca 0.30 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1xk8 h PRO 108 Cb 0.09 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1xk8 h PRO 108 CO -0.14 0.53 -0.01 0.00 -0.21 0.00 0.00 178.00 178.18 1xk8 h ALA 109 N 1.28 0.90 -0.29 -0.75 0.00 -1.57 -1.36 119.26 117.46 1xk8 h ALA 109 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xk8 h ALA 109 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xk8 h ALA 109 CO -0.10 0.65 0.19 1.25 0.00 0.00 0.00 179.25 181.24 1xk8 h LEU 110 N 0.92 0.34 -0.34 0.00 5.85 -0.20 -2.17 115.31 119.71 1xk8 h LEU 110 Ca 0.16 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xk8 h LEU 110 Cb 0.55 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1xk8 h LEU 110 CO 0.03 0.26 0.17 0.74 -0.34 0.00 0.00 178.44 179.30 1xk8 h THR 111 N 0.39 1.16 -0.42 1.05 2.02 -0.74 -1.14 112.91 115.23 1xk8 h THR 111 Ca 0.11 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1xk8 h THR 111 Cb -0.03 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1xk8 h THR 111 CO -0.02 0.16 0.15 0.44 0.37 0.00 0.00 175.52 176.62 1xk8 h ASP 112 N 0.41 0.15 -0.17 4.18 3.32 -1.18 0.23 116.42 123.35 1xk8 h ASP 112 Ca 0.12 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xk8 h ASP 112 Cb 0.11 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1xk8 h ASP 112 CO -0.02 0.12 0.11 0.15 -1.72 0.00 0.00 179.24 177.89 1xk8 h PHE 113 N 0.31 0.22 -0.32 4.55 3.04 -1.14 -0.30 116.94 123.30 1xk8 h PHE 113 Ca 0.19 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1xk8 h PHE 113 Cb 0.18 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1xk8 h PHE 113 CO -0.15 0.15 0.11 0.28 -2.02 0.00 0.00 178.31 176.67 1xk8 h VAL 114 N 0.23 1.20 -0.56 1.41 2.07 -0.74 -1.42 116.25 118.44 1xk8 h VAL 114 Ca 0.06 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1xk8 h VAL 114 Cb -0.02 1.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 1xk8 h VAL 114 CO -0.01 0.21 -0.27 -0.09 0.02 0.00 0.00 177.57 177.43 1xk8 h ARG 115 N 0.36 -0.12 -0.66 1.57 9.65 -0.44 0.57 114.38 125.31 1xk8 h ARG 115 Ca 0.10 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1xk8 h ARG 115 Cb 0.22 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1xk8 h ARG 115 CO -0.01 -0.08 0.44 0.66 2.80 0.00 0.00 179.97 183.78 1xk8 h SER 116 N -0.13 0.73 0.00 -3.80 4.64 0.03 -3.18 113.55 111.84 1xk8 h SER 116 Ca 0.24 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1xk8 h SER 116 Cb 0.52 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xk8 h SER 116 CO -0.64 0.52 -0.93 1.33 -0.87 0.00 0.00 176.83 176.25 1xk8 n VAL 117 N -4.44 0.00 -2.14 0.95 0.24 -0.90 -5.02 118.33 107.03 1xk8 n VAL 117 Ca 0.07 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 1xk8 n VAL 117 Cb 0.06 0.75 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 1xk8 n VAL 117 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xk8 s HIS 118 N -2.44 2.85 0.22 6.34 2.46 0.16 -4.94 115.29 119.93 1xk8 s HIS 118 Ca 0.02 1.47 -0.08 0.00 0.47 0.00 0.00 55.06 56.94 1xk8 s HIS 118 Cb 0.09 -3.54 0.17 0.00 -0.13 0.00 0.00 32.58 29.17 1xk8 s HIS 118 CO 0.54 -1.83 1.82 -1.35 -2.47 0.00 0.00 174.74 171.45 1xk8 h PRO 119 N 2.42 1.16 -7.11 2.88 0.11 -1.91 -3.45 132.00 126.10 1xk8 h PRO 119 Ca -0.49 -0.16 -0.51 0.00 0.11 0.00 0.00 66.00 64.94 1xk8 h PRO 119 Cb 1.25 -0.21 0.09 0.00 0.11 0.00 0.00 31.00 32.24 1xk8 h PRO 119 CO 0.62 0.88 0.43 0.71 -0.21 0.00 0.00 178.00 180.43 1xk8 s TYR 120 N -5.75 2.54 0.04 0.65 1.51 -1.26 -4.96 117.35 110.13 1xk8 s TYR 120 Ca -0.13 1.54 -0.23 0.00 -1.01 0.00 0.00 57.07 57.24 1xk8 s TYR 120 Cb 0.16 -3.34 -0.16 0.00 -0.11 0.00 0.00 41.96 38.51 1xk8 s TYR 120 CO 0.82 -1.84 1.49 0.93 -1.11 0.00 0.00 175.55 175.84 1xk8 h GLU 121 N 0.85 0.10 -4.56 -0.62 4.39 -1.98 -3.39 114.58 109.36 1xk8 h GLU 121 Ca -0.50 -0.03 -0.69 0.00 0.34 0.00 0.00 59.36 58.48 1xk8 h GLU 121 Cb 1.27 -0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 29.57 1xk8 h GLU 121 CO 0.56 0.34 -0.59 0.08 -1.16 0.00 0.00 179.01 178.24 1xk8 s VAL 122 N -5.12 3.26 0.07 3.13 1.01 -1.26 -5.10 120.40 116.40 1xk8 s VAL 122 Ca -0.14 -1.85 -0.27 0.00 0.00 0.00 0.00 61.98 59.72 1xk8 s VAL 122 Cb 0.05 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1xk8 s VAL 122 CO 0.68 -0.53 0.85 0.00 0.00 0.00 0.00 175.10 176.10 1xk8 s ALA 123 N 1.18 3.32 -0.26 5.51 0.00 -1.26 -5.02 121.76 125.24 1xk8 s ALA 123 Ca 0.05 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1xk8 s ALA 123 Cb -0.22 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1xk8 s ALA 123 CO -0.03 0.03 1.47 -2.00 0.00 0.00 0.00 175.76 175.24 1xk8 s GLU 124 N -0.06 3.85 -0.15 0.00 2.12 -1.26 -4.98 118.70 118.21 1xk8 s GLU 124 Ca 0.42 1.47 -0.03 0.00 0.36 0.00 0.00 54.97 57.19 1xk8 s GLU 124 Cb -0.22 -3.96 0.05 0.00 0.26 0.00 0.00 34.13 30.26 1xk8 s GLU 124 CO 0.26 -1.22 0.04 0.08 -0.54 0.00 0.00 175.26 173.88 1xk8 s VAL 125 N 4.83 0.36 -0.06 3.70 1.01 -1.26 -3.57 120.40 125.41 1xk8 s VAL 125 Ca 0.64 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1xk8 s VAL 125 Cb -0.21 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1xk8 s VAL 125 CO 0.26 -0.09 -0.12 0.27 0.00 0.00 0.00 175.10 175.42 1xk8 s ILE 126 N 1.95 1.13 -0.15 2.22 -4.36 -0.91 -4.96 121.20 116.12 1xk8 s ILE 126 Ca 0.01 -0.49 -0.03 0.00 -0.26 0.00 0.00 60.65 59.89 1xk8 s ILE 126 Cb -0.15 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 1xk8 s ILE 126 CO -0.07 0.35 -0.06 0.00 0.24 0.00 0.00 174.94 175.40 1xk8 s ALA 127 N 0.59 2.88 -0.11 2.27 0.00 -1.26 0.33 121.76 126.46 1xk8 s ALA 127 Ca -0.13 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1xk8 s ALA 127 Cb -0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1xk8 s ALA 127 CO 0.03 0.16 -0.13 -0.51 0.00 0.00 0.00 175.76 175.31 1xk8 s LEU 128 N 0.46 2.73 0.16 0.00 1.43 -0.22 -4.94 118.68 118.31 1xk8 s LEU 128 Ca -0.05 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 1xk8 s LEU 128 Cb -0.15 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 1xk8 s LEU 128 CO 0.03 0.22 0.77 -2.16 0.23 0.00 0.00 176.35 175.45 1xk8 s PRO 129 N 0.01 4.56 -0.40 1.29 0.04 -1.26 -0.30 135.00 138.94 1xk8 s PRO 129 Ca -0.04 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.94 1xk8 s PRO 129 Cb -0.14 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1xk8 s PRO 129 CO 0.04 0.56 0.63 0.08 0.04 0.00 0.00 177.00 178.35 1xk8 s VAL 130 N -1.09 4.86 -0.01 -0.36 1.01 -0.11 -4.88 120.40 119.83 1xk8 s VAL 130 Ca 0.36 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1xk8 s VAL 130 Cb -0.23 -4.14 -0.31 0.00 0.00 0.00 0.00 36.38 31.70 1xk8 s VAL 130 CO 0.26 -0.46 0.98 -0.08 0.00 0.00 0.00 175.10 175.80 1xk8 h GLU 131 N 8.68 0.43 -4.47 2.72 4.81 -1.93 0.12 114.58 124.93 1xk8 h GLU 131 Ca -0.26 -0.66 -0.20 0.00 -0.13 0.00 0.00 59.36 58.11 1xk8 h GLU 131 Cb 1.10 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 30.57 1xk8 h GLU 131 CO 0.86 1.30 -0.65 -0.65 -0.73 0.00 0.00 179.01 179.14 1xk8 s GLN 132 N -2.65 0.95 0.00 1.92 -0.21 -1.26 -4.45 119.66 113.96 1xk8 s GLN 132 Ca -0.12 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.81 1xk8 s GLN 132 Cb 0.03 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.22 1xk8 s GLN 132 CO 0.88 -0.25 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 1xk8 n GLY 133 N -0.12 -1.14 3.59 3.09 0.00 -1.26 -5.09 105.19 104.26 1xk8 n GLY 133 Ca -0.05 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1xk8 n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xk8 s ASN 134 N -4.00 6.29 0.16 1.61 2.47 -1.26 -4.93 114.94 115.28 1xk8 s ASN 134 Ca 0.00 0.51 -0.17 0.00 0.42 0.00 0.00 52.86 53.62 1xk8 s ASN 134 Cb 0.00 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.34 1xk8 s ASN 134 CO 0.00 -1.53 1.68 0.15 -3.72 0.00 0.00 177.10 173.68 1xk8 h PHE 135 N 10.60 -0.17 -0.78 0.43 3.04 -1.98 0.01 116.94 128.09 1xk8 h PHE 135 Ca -0.26 0.03 0.13 0.00 3.98 0.00 0.00 57.97 61.84 1xk8 h PHE 135 Cb 1.09 0.13 -0.09 0.00 2.56 0.00 0.00 35.95 39.65 1xk8 h PHE 135 CO 1.00 -0.15 0.38 -1.35 -2.02 0.00 0.00 178.31 176.17 1xk8 h PRO 136 N 0.02 0.56 -0.30 6.41 0.11 -1.98 0.52 132.00 137.34 1xk8 h PRO 136 Ca 0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1xk8 h PRO 136 Cb 0.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1xk8 h PRO 136 CO -0.37 0.37 0.03 -0.92 -0.21 0.00 0.00 178.00 176.90 1xk8 h TYR 137 N 0.58 0.54 -0.76 0.65 5.03 -1.62 0.11 116.97 121.50 1xk8 h TYR 137 Ca 0.41 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 1xk8 h TYR 137 Cb 0.54 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.64 1xk8 h TYR 137 CO -0.11 0.61 0.39 -0.07 -1.32 0.00 0.00 178.16 177.65 1xk8 h LEU 138 N 0.31 0.96 -0.72 2.82 3.38 -0.18 -0.25 115.31 121.63 1xk8 h LEU 138 Ca 0.09 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xk8 h LEU 138 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1xk8 h LEU 138 CO 0.01 0.79 0.16 -0.61 0.09 0.00 0.00 178.44 178.88 1xk8 h GLN 139 N 1.06 1.14 -0.72 1.13 4.15 0.19 -2.93 115.11 119.14 1xk8 h GLN 139 Ca 0.26 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1xk8 h GLN 139 Cb 0.07 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1xk8 h GLN 139 CO -0.04 1.01 0.25 2.35 -1.93 0.00 0.00 178.83 180.47 1xk8 h TRP 140 N 1.08 1.13 -0.97 3.99 7.01 0.12 0.20 115.95 128.50 1xk8 h TRP 140 Ca 0.22 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.16 1xk8 h TRP 140 Cb 0.39 -0.33 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 1xk8 h TRP 140 CO 0.03 0.89 0.63 0.28 -2.79 0.00 0.00 178.44 177.48 1xk8 h VAL 141 N 1.05 1.14 0.01 2.65 2.07 -0.99 -1.48 116.25 120.70 1xk8 h VAL 141 Ca 0.23 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1xk8 h VAL 141 Cb 0.27 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1xk8 h VAL 141 CO -0.01 0.22 -0.01 -0.09 0.02 0.00 0.00 177.57 177.70 1xk8 h ARG 142 N 1.20 -0.02 -0.41 1.57 2.43 -1.31 -3.18 114.38 114.66 1xk8 h ARG 142 Ca 0.40 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 1xk8 h ARG 142 Cb 0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1xk8 h ARG 142 CO -0.14 0.39 -0.15 0.37 -1.51 0.00 0.00 179.97 178.93 1xk8 h GLN 143 N -0.43 -0.06 -0.01 0.20 -0.00 -0.53 -1.68 115.11 112.59 1xk8 h GLN 143 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xk8 h GLN 143 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1xk8 h GLN 143 CO 0.00 -0.04 0.00 1.33 0.00 0.00 0.00 178.83 180.12 1xk8 n VAL 144 N -5.35 0.01 0.03 2.39 0.24 -0.60 -3.35 118.33 111.70 1xk8 n VAL 144 Ca 0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1xk8 n VAL 144 Cb 0.26 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1xk8 n VAL 144 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xk8 n THR 145 N -0.77 0.00 0.66 3.34 -2.24 -0.69 -4.85 114.28 109.73 1xk8 n THR 145 Ca 0.19 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1xk8 n THR 145 Cb 0.12 1.02 0.31 0.00 -2.10 0.00 0.00 70.33 69.68 1xk8 n THR 145 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88