#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2huh s GLN 82 N 0.00 4.40 0.82 5.56 -1.52 -1.26 -5.08 119.66 122.59 2huh s GLN 82 Ca 0.00 1.01 -0.12 0.00 -1.95 0.00 0.00 55.36 54.30 2huh s GLN 82 Cb 0.00 -3.06 0.09 0.00 -0.22 0.00 0.00 33.01 29.82 2huh s GLN 82 CO 0.00 0.48 1.16 -1.25 -0.25 0.00 0.00 175.29 175.43 2huh s PRO 83 N -1.57 1.85 0.80 2.91 0.04 -1.26 -5.04 135.00 132.73 2huh s PRO 83 Ca 0.39 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 2huh s PRO 83 Cb -0.20 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2huh s PRO 83 CO 0.23 -1.70 1.13 0.39 0.04 0.00 0.00 177.00 177.10 2huh n GLU 84 N -3.41 0.20 -3.80 4.56 1.02 -1.26 -5.01 120.64 112.95 2huh n GLU 84 Ca 0.07 0.14 -0.37 0.00 -0.02 0.00 0.00 57.16 56.99 2huh n GLU 84 Cb 0.60 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.58 2huh n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2huh s VAL 85 N -2.09 5.44 0.20 2.62 1.01 -1.26 -5.05 120.40 121.26 2huh s VAL 85 Ca 0.73 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.67 2huh s VAL 85 Cb -0.30 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 2huh s VAL 85 CO 0.51 0.58 1.66 -2.11 0.00 0.00 0.00 175.10 175.74 2huh n ARG 86 N 2.27 2.56 -0.00 2.72 0.00 -1.26 -1.28 116.66 121.66 2huh n ARG 86 Ca -0.18 0.92 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 2huh n ARG 86 Cb 0.54 -2.73 0.00 0.00 -0.00 0.00 0.00 32.46 30.27 2huh n ARG 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2huh n GLY 87 N 3.61 2.10 0.00 2.89 0.00 -1.26 -4.89 105.19 107.64 2huh n GLY 87 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2huh n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2huh n GLY 88 N -2.00 -0.96 0.05 -0.02 0.00 -0.41 -2.67 105.19 99.19 2huh n GLY 88 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.01 2huh n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2huh n ASP 89 N -1.09 0.19 -4.68 1.61 8.00 -1.26 -0.12 116.55 119.19 2huh n ASP 89 Ca 0.18 -0.58 -0.39 0.00 0.71 0.00 0.00 54.79 54.71 2huh n ASP 89 Cb 0.13 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2huh n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2huh s THR 90 N -2.34 5.08 -0.12 -3.53 2.01 -1.09 -4.98 115.64 110.67 2huh s THR 90 Ca 0.35 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.18 2huh s THR 90 Cb 0.21 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2huh s THR 90 CO 0.43 0.20 1.09 -0.22 -0.69 0.00 0.00 174.62 175.43 2huh s LEU 91 N 1.37 4.22 -0.15 4.42 2.96 -1.26 -4.71 118.68 125.53 2huh s LEU 91 Ca 0.29 1.60 -0.02 0.00 -0.22 0.00 0.00 54.13 55.77 2huh s LEU 91 Cb -0.16 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.02 2huh s LEU 91 CO 0.11 -0.56 -0.01 0.20 -1.32 0.00 0.00 176.35 174.78 2huh s ASN 92 N 1.31 2.52 -0.02 3.68 0.01 -1.23 -1.15 114.94 120.06 2huh s ASN 92 Ca 0.50 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 2huh s ASN 92 Cb -0.20 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 40.80 2huh s ASN 92 CO 0.16 -0.23 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.80 2huh s VAL 93 N 1.81 0.34 0.05 1.60 1.01 0.15 -1.05 120.40 124.31 2huh s VAL 93 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2huh s VAL 93 Cb -0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2huh s VAL 93 CO -0.07 0.14 -0.12 -0.36 0.00 0.00 0.00 175.10 174.69 2huh s PHE 94 N 0.40 1.02 -0.25 5.22 0.08 -0.44 -0.77 117.98 123.25 2huh s PHE 94 Ca -0.04 -0.43 -0.08 0.00 0.12 0.00 0.00 56.93 56.49 2huh s PHE 94 Cb -0.08 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 2huh s PHE 94 CO -0.01 0.01 0.09 -1.17 -0.10 0.00 0.00 175.22 174.05 2huh s LEU 95 N -1.49 3.58 -0.04 -0.37 2.96 0.33 -0.33 118.68 123.32 2huh s LEU 95 Ca -0.04 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2huh s LEU 95 Cb -0.09 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2huh s LEU 95 CO 0.01 -0.02 -0.22 0.00 -1.32 0.00 0.00 176.35 174.81 2huh s ALA 96 N 1.54 1.87 -0.11 5.97 0.00 -0.24 -0.59 121.76 130.19 2huh s ALA 96 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2huh s ALA 96 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2huh s ALA 96 CO 0.05 0.38 -0.15 0.71 0.00 0.00 0.00 175.76 176.75 2huh s TYR 97 N -0.20 2.74 -0.01 0.00 2.02 0.29 -0.29 117.35 121.91 2huh s TYR 97 Ca -0.00 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2huh s TYR 97 Cb -0.12 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2huh s TYR 97 CO 0.02 -0.17 -0.04 0.08 -1.57 0.00 0.00 175.55 173.87 2huh s VAL 98 N 0.14 0.38 0.47 0.71 1.01 -0.07 -0.84 120.40 122.20 2huh s VAL 98 Ca -0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 2huh s VAL 98 Cb -0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 2huh s VAL 98 CO 0.05 0.13 1.18 -2.16 0.00 0.00 0.00 175.10 174.30 2huh s PRO 99 N 0.18 3.70 0.26 2.72 0.04 -1.26 -0.42 135.00 140.22 2huh s PRO 99 Ca -0.02 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 2huh s PRO 99 Cb -0.05 -2.39 0.33 0.00 0.04 0.00 0.00 34.50 32.43 2huh s PRO 99 CO -0.00 -0.61 1.72 1.49 0.04 0.00 0.00 177.00 179.64 2huh h GLU 100 N 1.99 0.69 -2.66 4.56 4.22 -1.44 -3.39 114.58 118.54 2huh h GLU 100 Ca -0.49 -0.22 -0.55 0.00 0.08 0.00 0.00 59.36 58.17 2huh h GLU 100 Cb 1.25 -0.06 -0.39 0.00 0.50 0.00 0.00 28.75 30.05 2huh h GLU 100 CO 0.60 0.79 -0.81 0.34 -2.18 0.00 0.00 179.01 177.75 2huh s ASP 101 N -6.72 3.18 0.42 1.04 -1.08 -1.26 -5.00 116.67 107.25 2huh s ASP 101 Ca -0.09 -1.73 0.29 0.00 -0.52 0.00 0.00 52.55 50.51 2huh s ASP 101 Cb 0.14 -0.34 1.34 0.00 -1.46 0.00 0.00 42.92 42.60 2huh s ASP 101 CO 0.81 -0.37 1.88 0.00 0.52 0.00 0.00 175.17 178.01 2huh h ALA 102 N 7.70 1.00 -0.00 3.66 0.00 -1.96 -1.97 119.26 127.69 2huh h ALA 102 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2huh h ALA 102 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2huh h ALA 102 CO 0.35 0.00 -0.02 1.63 0.00 0.00 0.00 179.25 181.20 2huh n LYS 103 N -2.63 0.28 -0.15 0.00 5.02 -1.26 -5.08 118.16 114.34 2huh n LYS 103 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2huh n LYS 103 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2huh n LYS 103 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2huh n ALA 104 N -1.34 0.00 0.00 7.82 0.00 -0.74 -5.13 120.51 121.12 2huh n ALA 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2huh n ALA 104 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2huh n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2huh n THR 107 N 0.00 0.00 -2.16 0.00 -2.24 -1.26 -4.90 114.28 103.71 2huh n THR 107 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2huh n THR 107 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2huh n THR 107 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2huh s THR 108 N -0.12 2.84 0.92 4.28 -1.32 -1.26 -5.03 115.64 115.95 2huh s THR 108 Ca 0.00 0.83 -0.14 0.00 -1.21 0.00 0.00 61.69 61.16 2huh s THR 108 Cb 0.00 -3.53 0.18 0.00 -1.51 0.00 0.00 72.50 67.64 2huh s THR 108 CO 0.00 0.19 1.28 -2.16 -2.21 0.00 0.00 174.62 171.72 2huh s PRO 109 N -1.60 0.92 0.21 7.08 0.04 -1.26 -4.76 135.00 135.63 2huh s PRO 109 Ca 0.49 -0.37 0.10 0.00 0.04 0.00 0.00 61.00 61.26 2huh s PRO 109 Cb -0.39 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2huh s PRO 109 CO 0.50 -2.22 -0.19 -0.06 0.04 0.00 0.00 177.00 175.07 2huh s PHE 110 N -3.79 1.98 -0.06 0.56 0.40 0.23 -1.08 117.98 116.21 2huh s PHE 110 Ca 0.72 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 2huh s PHE 110 Cb -0.05 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 2huh s PHE 110 CO 0.52 0.46 -0.22 -1.21 0.70 0.00 0.00 175.22 175.46 2huh s GLU 111 N -3.16 2.37 -0.16 0.44 2.02 0.45 -0.85 118.70 119.80 2huh s GLU 111 Ca 0.22 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.34 2huh s GLU 111 Cb -0.05 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 2huh s GLU 111 CO 0.09 0.30 0.05 0.00 0.02 0.00 0.00 175.26 175.73 2huh s ALA 112 N -0.01 3.40 0.07 5.21 0.00 -0.23 -0.89 121.76 129.31 2huh s ALA 112 Ca -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2huh s ALA 112 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2huh s ALA 112 CO 0.04 0.27 -0.18 0.71 0.00 0.00 0.00 175.76 176.60 2huh s TYR 113 N 0.10 1.56 -0.27 0.00 1.51 0.60 0.30 117.35 121.16 2huh s TYR 113 Ca 0.05 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 2huh s TYR 113 Cb -0.12 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 2huh s TYR 113 CO 0.01 0.12 0.25 -1.17 -1.11 0.00 0.00 175.55 173.65 2huh s LEU 114 N -1.60 4.04 -0.30 -1.29 2.96 -0.29 -1.08 118.68 121.12 2huh s LEU 114 Ca 0.04 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2huh s LEU 114 Cb -0.09 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 2huh s LEU 114 CO 0.03 -0.08 0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 2huh s VAL 115 N 1.76 4.23 -0.77 1.68 1.01 0.55 -1.14 120.40 127.72 2huh s VAL 115 Ca 0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2huh s VAL 115 Cb -0.16 -3.15 0.20 0.00 0.00 0.00 0.00 36.38 33.28 2huh s VAL 115 CO 0.10 0.10 0.66 0.21 0.00 0.00 0.00 175.10 176.17 2huh s ASN 116 N 1.55 6.06 -1.33 3.32 2.47 0.09 -1.32 114.94 125.77 2huh s ASN 116 Ca 0.04 -2.97 -0.08 0.00 0.42 0.00 0.00 52.86 50.27 2huh s ASN 116 Cb -0.17 -2.02 0.13 0.00 -1.45 0.00 0.00 41.25 37.73 2huh s ASN 116 CO 0.04 -0.41 2.14 -0.67 -3.72 0.00 0.00 177.10 174.48 2huh n ASP 117 N 3.45 6.21 -3.61 -4.21 2.03 -0.21 -2.33 116.55 117.87 2huh n ASP 117 Ca 0.13 -3.07 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 2huh n ASP 117 Cb 0.41 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 2huh n ASP 117 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2huh s SER 118 N 0.94 -0.38 0.00 1.67 1.04 -1.26 -3.57 113.70 112.14 2huh s SER 118 Ca 0.47 -0.24 0.18 0.00 0.48 0.00 0.00 55.95 56.84 2huh s SER 118 Cb 0.13 0.58 0.75 0.00 0.10 0.00 0.00 66.02 67.58 2huh s SER 118 CO -0.04 -1.00 1.52 0.59 0.98 0.00 0.00 173.24 175.29 2huh n ASN 119 N -0.39 1.10 -4.92 7.02 3.02 0.82 -0.74 115.26 121.18 2huh n ASN 119 Ca -0.10 -1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 52.47 2huh n ASN 119 Cb 0.62 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 2huh n ASN 119 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2huh s TYR 120 N -1.83 3.51 0.43 3.10 1.51 -1.26 -4.77 117.35 118.03 2huh s TYR 120 Ca 0.28 0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 56.41 2huh s TYR 120 Cb 0.14 -1.80 -0.09 0.00 -0.11 0.00 0.00 41.96 40.10 2huh s TYR 120 CO 0.22 0.54 1.02 0.71 -1.11 0.00 0.00 175.55 176.93 2huh s TYR 121 N -1.58 3.21 0.01 2.71 1.51 0.72 -3.37 117.35 120.55 2huh s TYR 121 Ca 0.36 1.62 0.08 0.00 -1.01 0.00 0.00 57.07 58.12 2huh s TYR 121 Cb -0.13 -3.04 -0.02 0.00 -0.11 0.00 0.00 41.96 38.66 2huh s TYR 121 CO 0.28 -0.55 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.42 2huh s LEU 122 N -3.00 2.10 -0.11 -1.29 1.43 -0.13 -1.08 118.68 116.60 2huh s LEU 122 Ca 0.61 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2huh s LEU 122 Cb -0.17 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2huh s LEU 122 CO 0.22 0.26 0.05 -0.31 0.23 0.00 0.00 176.35 176.80 2huh s TYR 123 N -0.67 3.31 0.09 0.29 2.02 -0.58 -0.66 117.35 121.16 2huh s TYR 123 Ca 0.10 0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 57.03 2huh s TYR 123 Cb -0.09 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2huh s TYR 123 CO 0.00 0.50 0.08 1.52 -1.57 0.00 0.00 175.55 176.08 2huh s TYR 124 N -0.72 0.50 0.06 2.71 1.13 -0.27 -1.53 117.35 119.23 2huh s TYR 124 Ca 0.12 -0.96 0.05 0.00 -1.41 0.00 0.00 57.07 54.87 2huh s TYR 124 Cb -0.12 -0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2huh s TYR 124 CO 0.02 -0.49 -0.13 0.95 -2.51 0.00 0.00 175.55 173.39 2huh s THR 125 N -3.94 1.03 -0.16 -3.49 -4.23 -0.15 -1.61 115.64 103.09 2huh s THR 125 Ca 0.12 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2huh s THR 125 Cb 0.07 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.94 2huh s THR 125 CO -0.06 -0.22 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.24 2huh s TYR 126 N -1.23 1.95 0.14 3.99 5.04 0.33 -1.48 117.35 126.09 2huh s TYR 126 Ca -0.03 -1.17 0.08 0.00 -2.44 0.00 0.00 57.07 53.51 2huh s TYR 126 Cb -0.10 -1.45 -0.04 0.00 0.35 0.00 0.00 41.96 40.72 2huh s TYR 126 CO 0.02 -0.64 -0.18 -0.51 -1.34 0.00 0.00 175.55 172.90 2huh s LEU 127 N 1.55 2.39 -0.00 6.97 1.43 -0.14 -0.05 118.68 130.84 2huh s LEU 127 Ca 0.02 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 2huh s LEU 127 Cb -0.14 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 2huh s LEU 127 CO -0.09 -0.03 -0.16 -0.94 0.23 0.00 0.00 176.35 175.36 2huh s SER 128 N -2.42 1.84 0.30 2.29 1.04 0.11 -0.45 113.70 116.42 2huh s SER 128 Ca 0.12 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.95 2huh s SER 128 Cb -0.07 -0.19 -0.09 0.00 0.10 0.00 0.00 66.02 65.77 2huh s SER 128 CO 0.05 0.17 0.98 0.00 0.98 0.00 0.00 173.24 175.42 2huh s ALA 129 N -0.47 3.26 -0.29 5.32 0.00 -0.43 -0.18 121.76 128.97 2huh s ALA 129 Ca 0.05 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2huh s ALA 129 Cb -0.06 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 19.96 2huh s ALA 129 CO -0.00 0.08 0.27 -2.00 0.00 0.00 0.00 175.76 174.11 2huh s GLU 130 N -1.79 0.30 6.75 0.00 2.12 0.13 -4.80 118.70 121.42 2huh s GLU 130 Ca 0.48 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2huh s GLU 130 Cb -0.23 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.41 2huh s GLU 130 CO 0.29 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 2huh n GLY 131 N 5.30 1.43 0.56 -1.50 0.00 -1.26 -2.20 105.19 107.52 2huh n GLY 131 Ca -0.03 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2huh n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2huh n LYS 132 N 12.56 1.77 -4.70 1.61 4.01 -1.26 -4.93 118.16 127.21 2huh n LYS 132 Ca 0.00 -1.12 -0.33 0.00 -0.51 0.00 0.00 58.31 56.35 2huh n LYS 132 Cb 0.00 -1.47 -0.07 0.00 -0.51 0.00 0.00 35.03 32.98 2huh n LYS 132 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2huh s ALA 133 N -1.97 4.25 0.01 7.82 0.00 -0.94 -5.15 121.76 125.78 2huh s ALA 133 Ca 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2huh s ALA 133 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2huh s ALA 133 CO 0.32 -0.05 -0.05 -1.58 0.00 0.00 0.00 175.76 174.40 2huh s TRP 134 N -2.89 0.46 -0.11 0.00 0.52 -1.26 -0.69 118.94 114.97 2huh s TRP 134 Ca 0.05 -0.22 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 2huh s TRP 134 Cb 0.00 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.01 2huh s TRP 134 CO 0.03 -0.04 -0.07 -0.80 0.02 0.00 0.00 176.95 176.09 2huh s ASN 135 N -0.59 4.59 -0.21 2.95 0.01 0.74 -4.93 114.94 117.51 2huh s ASN 135 Ca -0.03 -0.10 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 2huh s ASN 135 Cb -0.04 -1.43 0.01 0.00 0.41 0.00 0.00 41.25 40.19 2huh s ASN 135 CO -0.00 0.27 1.03 0.21 -1.51 0.00 0.00 177.10 177.10 2huh s ASN 136 N -0.25 7.12 -0.12 -1.22 3.84 -1.26 -0.71 114.94 122.34 2huh s ASN 136 Ca 0.03 1.40 0.18 0.00 0.21 0.00 0.00 52.86 54.68 2huh s ASN 136 Cb -0.13 -2.54 -0.25 0.00 -0.55 0.00 0.00 41.25 37.78 2huh s ASN 136 CO 0.03 -0.64 0.30 0.54 -2.79 0.00 0.00 177.10 174.54 2huh n ARG 137 N 6.14 0.67 -3.57 0.43 1.74 0.93 -4.97 116.66 118.02 2huh n ARG 137 Ca 0.12 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 2huh n ARG 137 Cb 0.46 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 2huh n ARG 137 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2huh s SER 138 N -5.41 -0.49 0.06 0.55 0.15 -1.02 -4.95 113.70 102.60 2huh s SER 138 Ca -0.08 0.61 -0.23 0.00 0.70 0.00 0.00 55.95 56.95 2huh s SER 138 Cb 0.08 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2huh s SER 138 CO 0.84 -0.39 0.54 -1.38 1.20 0.00 0.00 173.24 174.05 2huh s HIS 139 N -0.89 -0.45 -5.00 3.44 -3.43 -1.26 -0.52 115.29 107.18 2huh s HIS 139 Ca -0.04 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 2huh s HIS 139 Cb -0.01 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2huh s HIS 139 CO 0.03 -0.68 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 2huh n GLY 140 N 0.29 -0.14 3.66 -1.38 0.00 -0.63 -4.99 105.19 101.99 2huh n GLY 140 Ca -0.18 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 2huh n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2huh s LEU 141 N 0.00 3.50 -0.12 0.99 2.96 -1.26 -1.12 118.68 123.63 2huh s LEU 141 Ca 0.00 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 2huh s LEU 141 Cb 0.00 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.89 2huh s LEU 141 CO 0.00 0.36 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.49 2huh s VAL 142 N -0.79 2.26 0.78 1.68 1.01 0.17 -4.98 120.40 120.52 2huh s VAL 142 Ca 0.12 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2huh s VAL 142 Cb -0.11 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.43 2huh s VAL 142 CO 0.02 0.55 1.08 -1.61 0.00 0.00 0.00 175.10 175.14 2huh s GLU 143 N 0.56 2.22 0.47 2.72 2.02 -1.26 -0.96 118.70 124.47 2huh s GLU 143 Ca -0.12 0.83 -0.24 0.00 0.02 0.00 0.00 54.97 55.46 2huh s GLU 143 Cb -0.17 -1.92 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 2huh s GLU 143 CO 0.04 -1.58 1.28 -2.30 0.02 0.00 0.00 175.26 172.73 2huh n PRO 144 N -3.43 1.82 -3.76 0.39 -0.02 -1.22 -3.69 135.00 125.10 2huh n PRO 144 Ca 0.07 0.66 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 2huh n PRO 144 Cb 0.55 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2huh n PRO 144 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2huh n ASN 145 N -0.21 -3.41 -3.33 2.55 3.02 0.09 -4.95 115.26 109.01 2huh n ASN 145 Ca 0.08 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.73 2huh n ASN 145 Cb 0.42 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.34 2huh n ASN 145 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2huh s THR 146 N -3.45 0.00 0.13 3.41 -1.32 -1.12 -5.01 115.64 108.29 2huh s THR 146 Ca 0.35 -1.63 0.06 0.00 -1.21 0.00 0.00 61.69 59.27 2huh s THR 146 Cb -0.17 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 2huh s THR 146 CO 0.80 0.00 -0.14 -1.59 -2.21 0.00 0.00 174.62 171.48 2huh s LYS 147 N -3.17 1.06 -0.06 7.08 -2.85 -1.26 -0.73 119.74 119.80 2huh s LYS 147 Ca 0.31 -1.30 0.02 0.00 -1.00 0.00 0.00 55.97 54.00 2huh s LYS 147 Cb 0.00 -0.91 0.02 0.00 -2.06 0.00 0.00 37.83 34.87 2huh s LYS 147 CO 0.20 0.17 -0.09 -1.17 0.10 0.00 0.00 175.35 174.56 2huh s LEU 148 N -2.60 1.48 -0.14 2.77 2.96 -0.29 -4.99 118.68 117.87 2huh s LEU 148 Ca 0.11 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 2huh s LEU 148 Cb -0.04 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 2huh s LEU 148 CO 0.03 -0.01 1.48 -0.22 -1.32 0.00 0.00 176.35 176.30 2huh s LEU 149 N 0.86 4.17 -0.06 -0.68 2.96 -1.26 -1.14 118.68 123.54 2huh s LEU 149 Ca -0.11 1.87 -0.08 0.00 -0.22 0.00 0.00 54.13 55.58 2huh s LEU 149 Cb -0.15 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.71 2huh s LEU 149 CO 0.01 -0.92 0.62 -0.07 -1.32 0.00 0.00 176.35 174.67 2huh h LEU 150 N 10.31 0.53 -7.00 -0.68 3.38 -0.50 -3.48 115.31 117.87 2huh h LEU 150 Ca -0.33 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 56.84 2huh h LEU 150 Cb 1.14 -0.17 -0.25 0.00 0.09 0.00 0.00 40.66 41.47 2huh h LEU 150 CO 0.97 1.75 0.48 -0.70 0.09 0.00 0.00 178.44 181.03 2huh s GLU 151 N -2.58 0.55 -0.08 1.13 2.12 -1.17 -4.77 118.70 113.90 2huh s GLU 151 Ca -0.16 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.63 2huh s GLU 151 Cb 0.06 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 2huh s GLU 151 CO 0.84 -0.11 -0.16 -2.00 -0.54 0.00 0.00 175.26 173.29 2huh s GLU 152 N -0.26 2.88 0.02 4.30 2.12 -1.26 -1.07 118.70 125.42 2huh s GLU 152 Ca 0.01 -0.73 -0.12 0.00 0.36 0.00 0.00 54.97 54.50 2huh s GLU 152 Cb -0.03 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.92 2huh s GLU 152 CO -0.03 0.41 0.25 -0.59 -0.54 0.00 0.00 175.26 174.76 2huh s PHE 153 N -0.19 -0.06 0.56 5.30 -0.71 -0.03 -4.99 117.98 117.86 2huh s PHE 153 Ca -0.00 -0.03 -0.03 0.00 -1.04 0.00 0.00 56.93 55.83 2huh s PHE 153 Cb -0.13 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.73 2huh s PHE 153 CO 0.03 -0.41 0.83 0.95 -1.34 0.00 0.00 175.22 175.28 2huh s THR 154 N -1.99 3.41 0.56 -4.49 -4.23 -1.26 -0.60 115.64 107.04 2huh s THR 154 Ca -0.09 -0.29 0.40 0.00 -1.18 0.00 0.00 61.69 60.52 2huh s THR 154 Cb -0.03 -3.32 0.42 0.00 1.34 0.00 0.00 72.50 70.90 2huh s THR 154 CO -0.00 -0.29 2.29 0.11 -0.54 0.00 0.00 174.62 176.19 2huh h LYS 155 N -0.02 0.00 -0.07 3.99 1.57 -1.98 -0.79 116.57 119.28 2huh h LYS 155 Ca -0.45 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.35 2huh h LYS 155 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2huh h LYS 155 CO 0.58 0.01 0.06 0.38 -0.57 0.00 0.00 179.45 179.92 2huh h ASP 156 N 0.00 0.00 1.08 0.86 2.03 -2.01 -1.44 116.42 116.94 2huh h ASP 156 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2huh h ASP 156 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2huh h ASP 156 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 179.24 178.79 2huh h VAL 157 N 0.00 0.00 -0.22 4.15 2.07 -1.52 -3.20 116.25 117.53 2huh h VAL 157 Ca 0.03 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2huh h VAL 157 Cb 0.16 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2huh h VAL 157 CO -0.00 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.68 2huh h LEU 158 N 0.00 0.01 -1.43 2.57 3.38 -1.40 0.12 115.31 118.56 2huh h LEU 158 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2huh h LEU 158 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2huh h LEU 158 CO 0.00 0.01 0.00 -0.55 0.09 0.00 0.00 178.44 177.99 2huh h ASN 159 N 0.01 0.00 -0.60 -0.43 7.08 -1.75 -3.29 115.58 116.60 2huh h ASN 159 Ca 0.10 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.97 2huh h ASN 159 Cb 0.40 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.50 2huh h ASN 159 CO -0.00 0.00 0.33 -0.62 -2.08 0.00 0.00 177.43 175.06 2huh n GLU 160 N -2.60 1.96 0.00 4.14 1.02 0.42 -5.01 120.64 120.56 2huh n GLU 160 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 2huh n GLU 160 Cb 0.18 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2huh n GLU 160 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2huh n GLU 162 N 0.73 0.00 -3.84 3.49 2.13 -1.24 -4.54 120.64 117.36 2huh n GLU 162 Ca 0.35 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.98 2huh n GLU 162 Cb 0.59 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.13 2huh n GLU 162 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2huh s ARG 163 N 0.00 0.29 0.33 5.31 3.52 -1.26 -2.64 118.95 124.50 2huh s ARG 163 Ca 0.00 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 2huh s ARG 163 Cb 0.00 -0.59 -0.06 0.00 -1.56 0.00 0.00 34.95 32.73 2huh s ARG 163 CO 0.00 -0.21 0.06 0.14 -0.81 0.00 0.00 175.30 174.47 2huh s VAL 164 N 1.46 1.21 0.00 7.11 -7.23 -0.17 -1.32 120.40 121.47 2huh s VAL 164 Ca -0.04 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.05 2huh s VAL 164 Cb -0.13 -2.80 0.01 0.00 0.56 0.00 0.00 36.38 34.02 2huh s VAL 164 CO -0.03 -0.00 0.17 0.00 -0.31 0.00 0.00 175.10 174.93 2huh s ALA 165 N -3.28 -0.41 -0.09 1.32 0.00 0.41 -0.64 121.76 119.07 2huh s ALA 165 Ca 0.36 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.29 2huh s ALA 165 Cb 0.09 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2huh s ALA 165 CO 0.16 -0.23 -0.21 0.08 0.00 0.00 0.00 175.76 175.56 2huh s VAL 166 N -1.45 1.81 0.02 0.00 1.01 -0.31 -0.97 120.40 120.51 2huh s VAL 166 Ca -0.14 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2huh s VAL 166 Cb -0.07 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2huh s VAL 166 CO 0.02 0.51 -0.24 -1.10 0.00 0.00 0.00 175.10 174.29 2huh s GLN 167 N 0.43 1.99 0.16 2.72 -0.21 -0.55 -1.11 119.66 123.09 2huh s GLN 167 Ca -0.18 -1.01 -0.20 0.00 0.02 0.00 0.00 55.36 53.99 2huh s GLN 167 Cb -0.17 -2.07 0.05 0.00 1.00 0.00 0.00 33.01 31.82 2huh s GLN 167 CO 0.07 0.54 0.54 -0.48 -2.12 0.00 0.00 175.29 173.85 2huh s LEU 168 N -1.09 -0.22 0.10 2.90 0.05 -0.10 -0.98 118.68 119.33 2huh s LEU 168 Ca 0.12 -0.17 0.06 0.00 0.05 0.00 0.00 54.13 54.19 2huh s LEU 168 Cb -0.10 2.35 -0.03 0.00 -2.05 0.00 0.00 46.19 46.35 2huh s LEU 168 CO 0.02 -0.96 -0.15 0.27 -0.55 0.00 0.00 176.35 174.97 2huh s ILE 169 N -3.79 1.34 0.00 1.48 -4.36 -0.58 -0.95 121.20 114.35 2huh s ILE 169 Ca 0.03 -1.55 0.06 0.00 -0.26 0.00 0.00 60.65 58.93 2huh s ILE 169 Cb -0.00 -1.39 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 2huh s ILE 169 CO -0.11 -0.28 -0.19 0.00 0.24 0.00 0.00 174.94 174.60 2huh s ALA 170 N -1.66 1.63 0.22 2.27 0.00 -1.26 -1.52 121.76 121.44 2huh s ALA 170 Ca 0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2huh s ALA 170 Cb -0.08 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2huh s ALA 170 CO 0.03 0.39 0.60 -0.59 0.00 0.00 0.00 175.76 176.18 2huh s PHE 171 N -0.57 -0.19 0.29 0.00 -0.71 -0.24 -4.68 117.98 111.88 2huh s PHE 171 Ca 0.07 -0.17 0.10 0.00 -1.04 0.00 0.00 56.93 55.89 2huh s PHE 171 Cb -0.08 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 2huh s PHE 171 CO 0.00 -1.01 -0.05 0.15 -1.34 0.00 0.00 175.22 172.97 2huh s LYS 172 N -3.87 2.08 -0.27 1.99 1.02 -1.26 -0.20 119.74 119.22 2huh s LYS 172 Ca 0.09 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.49 2huh s LYS 172 Cb -0.03 -2.00 0.08 0.00 -0.52 0.00 0.00 37.83 35.37 2huh s LYS 172 CO -0.01 0.29 0.02 0.34 -0.92 0.00 0.00 175.35 175.07 2huh s ASP 173 N -3.65 4.01 0.00 2.83 -1.08 -1.26 -4.70 116.67 112.82 2huh s ASP 173 Ca 0.32 -1.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 2huh s ASP 173 Cb -0.04 -1.14 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 2huh s ASP 173 CO 0.19 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.17 2huh n GLY 174 N 4.67 0.77 2.97 2.66 0.00 -1.26 -5.05 105.19 109.95 2huh n GLY 174 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2huh n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2huh s LYS 175 N -0.56 0.56 0.67 1.61 1.02 -1.26 -5.14 119.74 116.64 2huh s LYS 175 Ca 0.00 -0.22 -0.16 0.00 0.02 0.00 0.00 55.97 55.60 2huh s LYS 175 Cb 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 37.83 36.77 2huh s LYS 175 CO 0.00 0.12 1.21 -2.14 -0.92 0.00 0.00 175.35 173.62 2huh s PRO 176 N -0.05 2.50 0.06 -1.68 0.02 -1.26 -4.75 135.00 129.84 2huh s PRO 176 Ca 0.01 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 2huh s PRO 176 Cb -0.04 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.64 2huh s PRO 176 CO -0.00 -1.57 0.39 0.00 -0.33 0.00 0.00 177.00 175.49 2huh s ALA 177 N -1.83 -0.92 0.52 -1.55 0.00 -1.26 -5.02 121.76 111.69 2huh s ALA 177 Ca 0.76 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 2huh s ALA 177 Cb -0.30 0.41 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 2huh s ALA 177 CO 0.41 -0.48 1.26 0.00 0.00 0.00 0.00 175.76 176.94 2huh s ALA 178 N -2.75 2.84 0.16 0.00 0.00 -1.26 -5.00 121.76 115.74 2huh s ALA 178 Ca -0.04 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 2huh s ALA 178 Cb -0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2huh s ALA 178 CO -0.04 -1.05 1.11 -1.50 0.00 0.00 0.00 175.76 174.27 2huh s ILE 179 N -1.44 3.92 0.21 0.00 2.07 -1.26 -4.98 121.20 119.71 2huh s ILE 179 Ca 0.69 1.60 0.07 0.00 -1.41 0.00 0.00 60.65 61.61 2huh s ILE 179 Cb -0.34 -4.02 -0.04 0.00 0.13 0.00 0.00 42.46 38.19 2huh s ILE 179 CO 0.40 0.25 0.07 -0.54 -1.91 0.00 0.00 174.94 173.21 2huh s LYS 180 N -0.15 2.59 0.61 3.50 -0.14 -1.26 -5.10 119.74 119.79 2huh s LYS 180 Ca 0.51 -1.13 -0.19 0.00 -1.36 0.00 0.00 55.97 53.80 2huh s LYS 180 Cb -0.29 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 2huh s LYS 180 CO 0.34 0.43 1.24 -1.25 -0.76 0.00 0.00 175.35 175.35 2huh s PRO 181 N -3.36 2.84 -0.04 -1.68 0.04 -1.26 -4.87 135.00 126.67 2huh s PRO 181 Ca 0.30 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 2huh s PRO 181 Cb -0.08 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2huh s PRO 181 CO 0.21 -1.33 0.71 0.00 0.04 0.00 0.00 177.00 176.64 2huh s ALA 182 N -1.52 3.34 -0.09 8.56 0.00 -1.26 -4.58 121.76 126.22 2huh s ALA 182 Ca 0.79 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2huh s ALA 182 Cb -0.33 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2huh s ALA 182 CO 0.36 -0.07 -0.18 0.08 0.00 0.00 0.00 175.76 175.95 2huh s VAL 183 N 0.62 2.66 -0.06 0.00 1.01 -0.12 -4.99 120.40 119.52 2huh s VAL 183 Ca 0.38 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2huh s VAL 183 Cb -0.18 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2huh s VAL 183 CO 0.19 0.56 -0.03 -0.55 0.00 0.00 0.00 175.10 175.27 2huh s SER 184 N -0.01 1.28 -0.11 3.32 0.15 -1.26 -0.93 113.70 116.14 2huh s SER 184 Ca -0.06 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2huh s SER 184 Cb -0.15 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 2huh s SER 184 CO 0.05 -0.12 -0.08 -0.69 1.20 0.00 0.00 173.24 173.61 2huh s VAL 185 N 1.39 1.00 -0.14 4.45 1.01 -0.27 -4.77 120.40 123.08 2huh s VAL 185 Ca -0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2huh s VAL 185 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2huh s VAL 185 CO -0.03 0.36 0.15 -1.61 0.00 0.00 0.00 175.10 173.97 2huh s GLU 186 N 1.65 3.65 -0.02 2.72 2.02 -1.26 -1.16 118.70 126.30 2huh s GLU 186 Ca 0.04 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2huh s GLU 186 Cb -0.13 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.85 2huh s GLU 186 CO -0.07 0.65 -0.11 -0.51 0.02 0.00 0.00 175.26 175.24 2huh s LEU 187 N -0.67 1.90 -0.35 1.80 1.43 0.19 -4.56 118.68 118.42 2huh s LEU 187 Ca 0.14 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 2huh s LEU 187 Cb -0.12 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2huh s LEU 187 CO 0.03 0.10 0.44 -0.13 0.23 0.00 0.00 176.35 177.02 2huh s ARG 188 N -0.01 3.56 0.25 1.70 0.52 0.21 -1.00 118.95 124.18 2huh s ARG 188 Ca -0.00 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 2huh s ARG 188 Cb -0.07 -3.82 -0.09 0.00 0.52 0.00 0.00 34.95 31.49 2huh s ARG 188 CO 0.00 -0.60 1.07 0.42 0.02 0.00 0.00 175.30 176.21 2huh s ILE 189 N 2.21 3.67 -1.32 1.52 -1.09 -1.08 -4.84 121.20 120.27 2huh s ILE 189 Ca 0.15 1.62 -0.15 0.00 -2.23 0.00 0.00 60.65 60.04 2huh s ILE 189 Cb -0.16 -4.03 0.09 0.00 -1.58 0.00 0.00 42.46 36.78 2huh s ILE 189 CO 0.13 0.36 1.80 0.47 -1.23 0.00 0.00 174.94 176.47 2huh n ASP 190 N 1.52 4.78 0.24 3.58 8.00 -1.26 -4.80 116.55 128.60 2huh n ASP 190 Ca -0.00 -2.93 0.10 0.00 0.71 0.00 0.00 54.79 52.67 2huh n ASP 190 Cb 0.45 -1.67 0.62 0.00 -0.02 0.00 0.00 41.12 40.51 2huh n ASP 190 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2huh h THR 191 N 4.86 0.69 -0.17 -3.53 1.35 -1.95 -2.26 112.91 111.89 2huh h THR 191 Ca 0.44 -0.74 0.05 0.00 -0.55 0.00 0.00 66.41 65.61 2huh h THR 191 Cb 0.80 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 2huh h THR 191 CO 1.53 0.17 0.12 -0.37 -0.25 0.00 0.00 175.52 176.72 2huh h VAL 192 N 0.00 0.92 0.00 6.82 -1.51 -2.02 -2.45 116.25 118.02 2huh h VAL 192 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 2huh h VAL 192 Cb 0.45 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2huh h VAL 192 CO 0.02 0.00 -0.04 0.11 -1.23 0.00 0.00 177.57 176.43 2huh h LYS 193 N 0.01 0.00 0.00 5.19 1.57 -1.75 -2.89 116.57 118.70 2huh h LYS 193 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2huh h LYS 193 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2huh h LYS 193 CO -0.00 0.04 0.00 1.19 -0.57 0.00 0.00 179.45 180.11 2huh n PHE 194 N -3.18 0.12 1.03 -1.35 3.01 -0.92 -1.13 117.46 115.03 2huh n PHE 194 Ca -0.00 0.05 0.12 0.00 1.01 0.00 0.00 57.45 58.63 2huh n PHE 194 Cb 0.29 -0.58 0.11 0.00 -0.01 0.00 0.00 39.48 39.29 2huh n PHE 194 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2huh n TYR 195 N -1.61 0.00 -3.57 1.38 4.02 -1.09 -4.83 117.16 111.47 2huh n TYR 195 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 2huh n TYR 195 Cb 0.16 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.36 2huh n TYR 195 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2huh s LYS 196 N -2.09 0.93 0.46 -0.72 1.02 -0.29 -5.00 119.74 114.05 2huh s LYS 196 Ca 0.27 -1.73 0.15 0.00 0.02 0.00 0.00 55.97 54.68 2huh s LYS 196 Cb 0.20 -1.78 1.11 0.00 -0.52 0.00 0.00 37.83 36.84 2huh s LYS 196 CO 0.35 -1.21 2.02 1.25 -0.92 0.00 0.00 175.35 176.84 2huh h LEU 197 N 6.72 0.26 -0.47 3.17 5.85 -1.88 -0.53 115.31 128.42 2huh h LEU 197 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2huh h LEU 197 Cb 0.94 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2huh h LEU 197 CO 0.37 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 2huh n HIS 198 N -4.47 0.48 0.57 1.25 1.44 -1.26 -1.61 115.22 111.63 2huh n HIS 198 Ca 0.07 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 56.10 2huh n HIS 198 Cb 0.33 -0.82 0.24 0.00 0.12 0.00 0.00 29.99 29.86 2huh n HIS 198 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 2huh h THR 199 N 0.00 0.00 -4.33 0.61 1.35 -1.40 -3.45 112.91 105.69 2huh h THR 199 Ca 0.00 -0.51 -0.50 0.00 -0.55 0.00 0.00 66.41 64.86 2huh h THR 199 Cb 0.28 1.22 0.10 0.00 -1.73 0.00 0.00 68.15 68.02 2huh h THR 199 CO 0.00 0.00 0.36 -0.36 -0.25 0.00 0.00 175.52 175.27 2huh s PHE 200 N -3.15 3.02 0.13 4.73 0.40 -0.63 -4.95 117.98 117.53 2huh s PHE 200 Ca 0.07 1.21 0.07 0.00 -0.60 0.00 0.00 56.93 57.69 2huh s PHE 200 Cb 0.13 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 2huh s PHE 200 CO 0.68 -1.49 -0.16 -1.54 0.70 0.00 0.00 175.22 173.42 2huh s SER 201 N -3.96 2.29 0.41 1.36 1.04 0.17 -4.75 113.70 110.26 2huh s SER 201 Ca 0.59 -0.81 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 2huh s SER 201 Cb -0.14 -0.11 -0.09 0.00 0.10 0.00 0.00 66.02 65.79 2huh s SER 201 CO 0.54 -0.08 1.34 0.00 0.98 0.00 0.00 173.24 176.02 2huh s ALA 202 N -1.98 3.29 0.04 5.32 0.00 -1.26 -0.84 121.76 126.32 2huh s ALA 202 Ca 0.11 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 2huh s ALA 202 Cb -0.06 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2huh s ALA 202 CO 0.04 -0.90 0.01 0.45 0.00 0.00 0.00 175.76 175.36 2huh s SER 203 N -0.64 0.32 0.10 0.00 0.15 -1.26 -4.91 113.70 107.46 2huh s SER 203 Ca 0.57 -0.71 0.22 0.00 0.70 0.00 0.00 55.95 56.73 2huh s SER 203 Cb -0.40 0.18 0.89 0.00 -1.71 0.00 0.00 66.02 64.98 2huh s SER 203 CO 0.51 -0.48 1.69 0.47 1.20 0.00 0.00 173.24 176.63 2huh n ASP 204 N 0.76 0.31 0.08 5.45 8.00 -1.26 -3.82 116.55 126.07 2huh n ASP 204 Ca -0.19 0.56 0.12 0.00 0.71 0.00 0.00 54.79 55.99 2huh n ASP 204 Cb 0.58 -0.63 0.04 0.00 -0.02 0.00 0.00 41.12 41.09 2huh n ASP 204 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2huh n PHE 205 N -1.82 0.77 -3.86 1.24 3.72 -1.26 -4.93 117.46 111.32 2huh n PHE 205 Ca 0.04 0.22 -0.10 0.00 -0.05 0.00 0.00 57.45 57.57 2huh n PHE 205 Cb 0.27 -0.82 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 2huh n PHE 205 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2huh s PHE 206 N -3.30 0.11 0.02 1.38 0.08 -1.25 -5.05 117.98 109.96 2huh s PHE 206 Ca 0.01 -0.44 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 2huh s PHE 206 Cb 0.11 -0.05 -0.27 0.00 -0.57 0.00 0.00 43.02 42.24 2huh s PHE 206 CO 0.78 -0.48 1.07 1.49 -0.10 0.00 0.00 175.22 177.98 2huh h GLU 207 N 3.11 0.50 -7.17 0.44 4.81 -1.91 -3.41 114.58 110.95 2huh h GLU 207 Ca -0.33 -0.62 -0.52 0.00 -0.13 0.00 0.00 59.36 57.76 2huh h GLU 207 Cb 1.19 0.20 0.13 0.00 0.63 0.00 0.00 28.75 30.90 2huh h GLU 207 CO 0.52 1.24 0.40 -1.21 -0.73 0.00 0.00 179.01 179.24 2huh s GLU 208 N -3.01 2.49 0.66 1.92 8.01 -1.26 -4.95 118.70 122.55 2huh s GLU 208 Ca -0.12 1.65 -0.17 0.00 0.01 0.00 0.00 54.97 56.33 2huh s GLU 208 Cb 0.04 -1.89 -0.01 0.00 -4.31 0.00 0.00 34.13 27.96 2huh s GLU 208 CO 0.87 -1.54 1.13 -2.30 0.01 0.00 0.00 175.26 173.43 2huh n PRO 209 N -2.44 0.90 -4.07 0.39 -0.02 -1.26 -4.68 135.00 123.82 2huh n PRO 209 Ca 0.12 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2huh n PRO 209 Cb 0.51 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 2huh n PRO 209 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2huh s ALA 210 N -1.53 0.57 -0.39 3.55 0.00 -0.02 -4.46 121.76 119.48 2huh s ALA 210 Ca 0.79 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2huh s ALA 210 Cb -0.38 0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2huh s ALA 210 CO 0.44 -0.10 0.29 -1.17 0.00 0.00 0.00 175.76 175.22 2huh s LEU 211 N -1.91 4.98 -0.19 0.00 2.96 -0.02 -0.66 118.68 123.83 2huh s LEU 211 Ca -0.06 -0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 53.04 2huh s LEU 211 Cb -0.06 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2huh s LEU 211 CO -0.01 -0.41 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.90 2huh s ILE 212 N 1.70 3.16 -0.14 6.68 -1.09 -1.26 -0.54 121.20 129.71 2huh s ILE 212 Ca 0.05 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2huh s ILE 212 Cb -0.19 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2huh s ILE 212 CO 0.10 0.46 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.90 2huh s TYR 213 N 1.18 2.96 0.15 3.97 2.02 0.24 -4.98 117.35 122.88 2huh s TYR 213 Ca 0.02 -0.35 -0.31 0.00 -0.37 0.00 0.00 57.07 56.06 2huh s TYR 213 Cb -0.14 -1.90 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 2huh s TYR 213 CO -0.02 -0.04 1.31 -0.51 -1.57 0.00 0.00 175.55 174.72 2huh s ASP 214 N 0.22 6.91 -0.24 2.29 1.01 -1.26 -0.51 116.67 125.09 2huh s ASP 214 Ca -0.04 2.31 -0.12 0.00 0.71 0.00 0.00 52.55 55.41 2huh s ASP 214 Cb -0.14 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 2huh s ASP 214 CO 0.04 -0.55 -0.31 -0.38 0.21 0.00 0.00 175.17 174.18 2huh n ILE 215 N 3.25 1.30 -4.35 0.77 2.08 0.05 -4.63 119.36 117.84 2huh n ILE 215 Ca 0.08 -0.33 -0.23 0.00 0.56 0.00 0.00 62.75 62.83 2huh n ILE 215 Cb 0.43 -1.82 -0.17 0.00 -0.75 0.00 0.00 39.64 37.34 2huh n ILE 215 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2huh s VAL 216 N -2.43 0.89 -0.15 1.39 1.01 -0.58 -0.52 120.40 120.01 2huh s VAL 216 Ca -0.33 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2huh s VAL 216 Cb 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.68 2huh s VAL 216 CO 0.42 0.31 -0.12 -0.75 0.00 0.00 0.00 175.10 174.96 2huh s LYS 217 N 0.89 2.09 -1.37 2.72 2.20 -0.42 -0.68 119.74 125.17 2huh s LYS 217 Ca -0.11 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2huh s LYS 217 Cb -0.15 -2.07 0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2huh s LYS 217 CO 0.01 -0.28 0.59 -0.25 -0.36 0.00 0.00 175.35 175.05 2huh n ASP 218 N 4.79 -1.00 0.00 1.43 8.00 -1.14 -0.94 116.55 127.70 2huh n ASP 218 Ca -0.16 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2huh n ASP 218 Cb 0.49 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 2huh n ASP 218 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2huh n ASP 219 N -3.00 0.00 -4.47 -2.24 8.00 -0.30 -4.90 116.55 109.63 2huh n ASP 219 Ca -0.28 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.83 2huh n ASP 219 Cb 0.67 -0.86 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 2huh n ASP 219 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2huh s VAL 220 N -2.67 4.81 0.33 2.53 1.01 -0.11 -4.89 120.40 121.42 2huh s VAL 220 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2huh s VAL 220 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 2huh s VAL 220 CO 0.00 0.04 1.37 -2.65 0.00 0.00 0.00 175.10 173.86 2huh n PRO 221 N 5.02 2.26 -0.94 2.72 -0.02 -1.26 -1.30 135.00 141.48 2huh n PRO 221 Ca -0.13 0.80 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2huh n PRO 221 Cb 0.49 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2huh n PRO 221 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2huh n ALA 222 N 0.74 5.41 -1.66 3.55 0.00 0.33 -4.90 120.51 123.98 2huh n ALA 222 Ca 0.05 -1.55 -0.45 0.00 0.00 0.00 0.00 53.44 51.49 2huh n ALA 222 Cb 0.36 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2huh n ALA 222 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2huh n LYS 223 N 1.29 1.96 -1.96 0.00 4.01 -1.26 -2.89 118.16 119.31 2huh n LYS 223 Ca 0.29 0.70 -0.17 0.00 -0.51 0.00 0.00 58.31 58.62 2huh n LYS 223 Cb 0.64 -2.35 -0.04 0.00 -0.51 0.00 0.00 35.03 32.77 2huh n LYS 223 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2huh n GLN 224 N 2.11 -1.67 -0.01 1.97 3.00 -1.26 -4.84 117.38 116.68 2huh n GLN 224 Ca 0.12 0.89 -0.21 0.00 -0.01 0.00 0.00 57.00 57.79 2huh n GLN 224 Cb 0.31 -5.36 -0.14 0.00 0.00 0.00 0.00 30.24 25.05 2huh n GLN 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2huh h VAL 225 N 0.00 0.97 -1.47 5.09 2.07 -1.83 -3.39 116.25 117.69 2huh h VAL 225 Ca -0.37 -2.36 -0.64 0.00 0.82 0.00 0.00 66.70 64.15 2huh h VAL 225 Cb 1.19 2.63 -0.37 0.00 -1.52 0.00 0.00 31.29 33.22 2huh h VAL 225 CO 0.48 0.68 -0.10 -1.22 0.02 0.00 0.00 177.57 177.43 2huh n TYR 226 N -3.93 3.17 -0.72 1.57 4.01 -1.26 -5.09 117.16 114.90 2huh n TYR 226 Ca -0.27 -2.74 0.00 0.00 -0.16 0.00 0.00 57.90 54.73 2huh n TYR 226 Cb 0.89 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2huh n TYR 226 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68