#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ums n ARG 84 N 0.00 -2.49 0.00 3.97 3.00 -1.26 -4.85 116.66 115.03 1ums n ARG 84 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 57.85 56.89 1ums n ARG 84 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.52 1ums n ARG 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1ums n THR 85 N -3.98 0.00 0.00 0.55 -1.04 -1.26 -4.91 114.28 103.64 1ums n THR 85 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ums n THR 85 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1ums n THR 85 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1ums n PHE 86 N 12.45 0.00 1.80 -1.42 1.16 -1.26 -3.30 117.46 126.89 1ums n PHE 86 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 1ums n PHE 86 Cb 0.00 0.00 0.66 0.00 -1.61 0.00 0.00 39.48 38.53 1ums n PHE 86 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1ums n PRO 87 N 3.67 0.90 0.00 3.97 -0.04 -1.26 -2.62 135.00 139.62 1ums n PRO 87 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1ums n PRO 87 Cb 0.00 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.19 1ums n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ums n GLY 88 N 0.71 -0.75 2.44 0.55 0.00 -1.21 -4.93 105.19 102.00 1ums n GLY 88 Ca 0.17 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ums n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ums n ILE 89 N -0.58 0.95 -3.88 -0.61 5.41 -1.08 -4.40 119.36 115.18 1ums n ILE 89 Ca 0.03 -0.24 -0.33 0.00 1.00 0.00 0.00 62.75 63.21 1ums n ILE 89 Cb 0.01 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.90 1ums n ILE 89 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ums s PRO 90 N -0.47 3.47 -0.36 0.38 0.04 -1.26 -5.07 135.00 131.73 1ums s PRO 90 Ca 0.52 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.28 1ums s PRO 90 Cb -0.74 -3.08 0.40 0.00 0.04 0.00 0.00 34.50 31.12 1ums s PRO 90 CO 0.40 0.66 1.76 1.63 0.04 0.00 0.00 177.00 181.49 1ums n LYS 91 N 0.88 1.95 0.00 4.56 5.02 -1.26 -4.54 118.16 124.77 1ums n LYS 91 Ca -0.10 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1ums n LYS 91 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1ums n LYS 91 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1ums n TRP 92 N -0.44 0.00 0.00 2.13 7.02 -1.26 -4.74 117.44 120.15 1ums n TRP 92 Ca 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.89 1ums n TRP 92 Cb 1.05 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.94 1ums n TRP 92 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1ums n ARG 93 N -0.35 0.00 -3.76 -0.99 0.63 -1.26 -5.18 116.66 105.75 1ums n ARG 93 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1ums n ARG 93 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1ums n ARG 93 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ums s LYS 94 N -0.99 1.11 -0.95 -0.14 2.20 -1.26 -4.84 119.74 114.86 1ums s LYS 94 Ca 0.00 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 1ums s LYS 94 Cb 0.00 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1ums s LYS 94 CO 0.00 -0.51 2.93 0.25 -0.36 0.00 0.00 175.35 177.66 1ums n THR 95 N -0.51 4.08 -3.16 3.43 -2.24 -1.26 -4.56 114.28 110.06 1ums n THR 95 Ca -0.06 -2.87 0.03 0.00 -2.27 0.00 0.00 64.05 58.88 1ums n THR 95 Cb 0.61 -2.14 -0.00 0.00 -2.10 0.00 0.00 70.33 66.70 1ums n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ums s HIS 96 N 0.29 -1.82 0.24 4.78 3.76 -1.26 -3.55 115.29 117.72 1ums s HIS 96 Ca 0.63 0.99 0.01 0.00 -0.15 0.00 0.00 55.06 56.54 1ums s HIS 96 Cb 0.25 0.30 -0.00 0.00 1.11 0.00 0.00 32.58 34.24 1ums s HIS 96 CO -0.09 -1.09 0.03 1.28 -0.85 0.00 0.00 174.74 174.02 1ums n LEU 97 N 5.34 0.00 -4.24 0.89 4.77 0.67 -4.88 117.00 119.55 1ums n LEU 97 Ca 0.05 -1.59 -0.20 0.00 -0.03 0.00 0.00 56.01 54.24 1ums n LEU 97 Cb 0.54 0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.81 1ums n LEU 97 CO -0.05 -0.23 -0.47 -0.89 -1.33 0.00 0.00 177.39 174.41 1ums s THR 98 N -2.06 1.41 0.17 -5.08 2.01 -1.26 -1.73 115.64 109.10 1ums s THR 98 Ca 0.04 -1.54 0.10 0.00 0.31 0.00 0.00 61.69 60.60 1ums s THR 98 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1ums s THR 98 CO 0.03 -0.24 -0.18 -0.72 -0.69 0.00 0.00 174.62 172.81 1ums s TYR 99 N -1.55 2.45 -0.27 4.92 -0.85 -1.04 -1.93 117.35 119.08 1ums s TYR 99 Ca 0.05 -0.30 -0.01 0.00 -0.52 0.00 0.00 57.07 56.30 1ums s TYR 99 Cb -0.08 -1.24 0.16 0.00 0.38 0.00 0.00 41.96 41.18 1ums s TYR 99 CO 0.03 0.47 0.46 0.50 -1.52 0.00 0.00 175.55 175.50 1ums s ARG 100 N -2.57 0.44 -0.72 -3.49 3.52 -0.93 -0.95 118.95 114.23 1ums s ARG 100 Ca 0.21 0.58 -0.23 0.00 -0.13 0.00 0.00 55.73 56.16 1ums s ARG 100 Cb -0.09 -0.11 0.07 0.00 -1.56 0.00 0.00 34.95 33.27 1ums s ARG 100 CO 0.11 -0.75 1.04 0.42 -0.81 0.00 0.00 175.30 175.31 1ums s ILE 101 N 2.65 4.30 0.00 4.11 -1.09 -1.26 -0.81 121.20 129.10 1ums s ILE 101 Ca 0.14 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1ums s ILE 101 Cb -0.14 -4.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 1ums s ILE 101 CO -0.21 -1.53 0.96 0.52 -1.23 0.00 0.00 174.94 173.45 1ums n VAL 102 N 5.96 0.00 -1.59 2.92 0.31 0.26 -4.72 118.33 121.47 1ums n VAL 102 Ca 0.02 1.46 0.00 0.00 -0.01 0.00 0.00 64.34 65.82 1ums n VAL 102 Cb 0.47 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1ums n VAL 102 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ums n ASN 103 N -2.35 0.02 0.00 4.52 4.13 -1.19 -5.00 115.26 115.40 1ums n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ums n ASN 103 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ums n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ums n TYR 104 N 0.00 0.00 -2.13 3.10 0.18 -1.26 -4.75 117.16 112.30 1ums n TYR 104 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1ums n TYR 104 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1ums n TYR 104 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1ums s THR 105 N 0.00 3.20 -0.23 -3.48 -1.32 -1.26 -4.86 115.64 107.69 1ums s THR 105 Ca 0.00 0.85 -0.02 0.00 -1.21 0.00 0.00 61.69 61.31 1ums s THR 105 Cb 0.00 -3.55 0.08 0.00 -1.51 0.00 0.00 72.50 67.52 1ums s THR 105 CO 0.00 0.06 2.36 -0.81 -2.21 0.00 0.00 174.62 174.03 1ums n PRO 106 N 4.04 1.77 -0.04 7.08 -0.04 -1.26 -4.26 135.00 142.29 1ums n PRO 106 Ca 0.12 -1.30 -0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1ums n PRO 106 Cb 0.42 -1.63 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1ums n PRO 106 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ums h ASP 107 N 1.86 0.00 -3.46 3.54 3.32 -1.91 -3.45 116.42 116.32 1ums h ASP 107 Ca 0.23 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.92 1ums h ASP 107 Cb 0.97 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.68 1ums h ASP 107 CO 0.55 0.37 0.28 0.18 -1.72 0.00 0.00 179.24 178.89 1ums n LEU 108 N -3.92 0.00 -4.55 1.55 4.77 -1.26 -4.81 117.00 108.78 1ums n LEU 108 Ca -0.01 -1.19 -0.44 0.00 -0.03 0.00 0.00 56.01 54.34 1ums n LEU 108 Cb 0.02 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1ums n LEU 108 CO 0.01 -1.57 0.42 -2.65 -1.33 0.00 0.00 177.39 172.26 1ums n PRO 109 N -3.81 1.05 -0.34 3.23 -0.02 -1.26 -4.83 135.00 129.02 1ums n PRO 109 Ca 0.14 0.37 0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1ums n PRO 109 Cb 0.51 -1.70 0.24 0.00 -0.02 0.00 0.00 33.50 32.53 1ums n PRO 109 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ums h LYS 110 N 1.63 0.99 0.00 -0.52 1.57 -1.89 0.22 116.57 118.58 1ums h LYS 110 Ca -0.38 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1ums h LYS 110 Cb 1.36 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1ums h LYS 110 CO 0.58 0.66 -0.08 0.22 -0.57 0.00 0.00 179.45 180.26 1ums h ASP 111 N 1.02 0.00 0.72 0.86 3.58 -1.95 0.05 116.42 120.70 1ums h ASP 111 Ca 0.45 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.75 1ums h ASP 111 Cb 0.36 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1ums h ASP 111 CO -0.21 0.08 -1.39 0.00 -2.88 0.00 0.00 179.24 174.84 1ums n ALA 112 N -2.20 2.00 0.09 -0.78 0.00 0.65 -0.92 120.51 119.35 1ums n ALA 112 Ca -0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1ums n ALA 112 Cb 0.24 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1ums n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ums h VAL 113 N 0.00 1.35 -0.36 0.00 2.07 -1.02 0.17 116.25 118.46 1ums h VAL 113 Ca -0.15 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 64.75 1ums h VAL 113 Cb 1.52 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1ums h VAL 113 CO 0.04 0.77 0.02 -0.78 0.02 0.00 0.00 177.57 177.64 1ums h ASP 114 N 0.23 0.62 -0.19 0.57 1.82 -1.04 -2.51 116.42 115.91 1ums h ASP 114 Ca -0.15 -0.29 -0.03 0.00 -0.39 0.00 0.00 57.03 56.16 1ums h ASP 114 Cb 1.84 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.67 1ums h ASP 114 CO 0.21 0.76 0.04 -1.28 -1.61 0.00 0.00 179.24 177.36 1ums h SER 115 N 0.45 0.37 0.71 2.28 0.87 -0.94 0.09 113.55 117.39 1ums h SER 115 Ca 0.11 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1ums h SER 115 Cb 0.43 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1ums h SER 115 CO 0.02 0.40 -0.34 0.00 -0.53 0.00 0.00 176.83 176.37 1ums h ALA 116 N 1.66 -0.95 -1.05 6.23 0.00 -0.23 -1.85 119.26 123.07 1ums h ALA 116 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ums h ALA 116 Cb 0.20 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ums h ALA 116 CO 0.00 -0.99 0.00 0.28 0.00 0.00 0.00 179.25 178.54 1ums n VAL 117 N -5.47 0.00 -0.12 0.00 0.31 -1.07 -2.99 118.33 108.99 1ums n VAL 117 Ca -0.14 1.33 0.04 0.00 -0.01 0.00 0.00 64.34 65.56 1ums n VAL 117 Cb 0.39 -2.14 0.09 0.00 -0.91 0.00 0.00 33.84 31.27 1ums n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ums n GLU 118 N -1.78 -0.03 0.42 5.55 4.07 0.01 0.58 120.64 129.46 1ums n GLU 118 Ca 0.00 0.54 -0.17 0.00 -0.06 0.00 0.00 57.16 57.46 1ums n GLU 118 Cb 0.00 -0.84 -0.08 0.00 -0.06 0.00 0.00 31.44 30.46 1ums n GLU 118 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1ums h LYS 119 N 0.00 -1.07 -0.55 5.31 1.57 -1.26 -2.74 116.57 117.83 1ums h LYS 119 Ca 0.20 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1ums h LYS 119 Cb 0.39 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1ums h LYS 119 CO -0.34 -0.71 -0.32 0.00 -0.57 0.00 0.00 179.45 177.50 1ums n ALA 120 N -2.59 -0.35 -0.33 3.86 0.00 0.20 0.35 120.51 121.64 1ums n ALA 120 Ca -0.14 0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.76 1ums n ALA 120 Cb 0.44 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.95 1ums n ALA 120 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ums h LEU 121 N 0.00 -1.23 -0.57 0.00 -0.00 -1.51 -2.11 115.31 109.89 1ums h LEU 121 Ca 0.09 0.28 0.12 0.00 -0.00 0.00 0.00 57.88 58.37 1ums h LEU 121 Cb 0.23 0.67 -0.11 0.00 -0.00 0.00 0.00 40.66 41.45 1ums h LEU 121 CO -0.52 -0.30 -0.10 0.50 -0.00 0.00 0.00 178.44 178.03 1ums h LYS 122 N -0.04 0.03 0.00 1.13 3.64 0.22 0.66 116.57 122.21 1ums h LYS 122 Ca 0.34 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.52 1ums h LYS 122 Cb 0.60 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1ums h LYS 122 CO -0.90 0.02 -1.22 0.28 -2.27 0.00 0.00 179.45 175.36 1ums h VAL 123 N 0.03 0.94 0.00 2.00 2.07 -1.43 -3.12 116.25 116.74 1ums h VAL 123 Ca 0.28 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1ums h VAL 123 Cb 0.44 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1ums h VAL 123 CO -0.56 0.53 0.00 0.79 0.02 0.00 0.00 177.57 178.35 1ums n TRP 124 N -3.10 0.00 0.68 1.57 5.03 -0.11 -1.65 117.44 119.86 1ums n TRP 124 Ca -0.07 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.53 1ums n TRP 124 Cb 0.90 -0.25 -0.09 0.00 -1.03 0.00 0.00 31.31 30.84 1ums n TRP 124 CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 1ums n GLU 125 N -1.25 1.89 0.01 -0.99 0.28 0.04 -3.98 120.64 116.63 1ums n GLU 125 Ca 0.02 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1ums n GLU 125 Cb 0.03 -1.23 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 1ums n GLU 125 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ums h GLU 126 N 0.00 0.63 0.00 3.44 5.08 -1.36 -3.39 114.58 118.98 1ums h GLU 126 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1ums h GLU 126 Cb 0.38 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ums h GLU 126 CO 0.00 1.15 0.00 1.33 -1.00 0.00 0.00 179.01 180.49 1ums n VAL 127 N -3.89 0.00 -2.04 3.13 0.24 -1.21 -4.82 118.33 109.74 1ums n VAL 127 Ca -0.06 0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 62.25 1ums n VAL 127 Cb 0.74 -0.79 0.02 0.00 -1.47 0.00 0.00 33.84 32.34 1ums n VAL 127 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ums s THR 128 N -0.36 2.64 0.50 3.34 -1.32 -1.26 -4.91 115.64 114.28 1ums s THR 128 Ca 0.00 0.46 0.27 0.00 -1.21 0.00 0.00 61.69 61.21 1ums s THR 128 Cb 0.00 -3.22 0.27 0.00 -1.51 0.00 0.00 72.50 68.04 1ums s THR 128 CO 0.00 -0.03 1.80 1.55 -2.21 0.00 0.00 174.62 175.73 1ums h PRO 129 N 1.52 0.00 -7.02 7.08 0.13 -1.85 -3.42 132.00 128.44 1ums h PRO 129 Ca -0.50 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.09 1ums h PRO 129 Cb 1.28 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.61 1ums h PRO 129 CO 0.58 0.00 -0.06 1.28 -0.23 0.00 0.00 178.00 179.57 1ums n LEU 130 N -2.70 2.29 -3.44 1.56 4.32 -1.23 -4.67 117.00 113.12 1ums n LEU 130 Ca -0.02 0.47 -0.15 0.00 -0.02 0.00 0.00 56.01 56.29 1ums n LEU 130 Cb 0.35 -1.37 -0.11 0.00 -1.62 0.00 0.00 43.42 40.66 1ums n LEU 130 CO 0.12 -2.58 -0.15 0.42 -1.22 0.00 0.00 177.39 173.97 1ums s THR 131 N -2.31 -0.42 0.53 -5.08 -4.23 -1.25 -4.61 115.64 98.27 1ums s THR 131 Ca 0.66 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1ums s THR 131 Cb -0.26 -0.74 -0.06 0.00 1.34 0.00 0.00 72.50 72.78 1ums s THR 131 CO 0.59 -0.20 0.94 -0.36 -0.54 0.00 0.00 174.62 175.05 1ums s PHE 132 N 2.40 3.53 -0.29 3.99 0.08 -1.24 -0.24 117.98 126.20 1ums s PHE 132 Ca 0.09 1.26 -0.17 0.00 0.12 0.00 0.00 56.93 58.23 1ums s PHE 132 Cb -0.16 -2.65 0.18 0.00 -0.57 0.00 0.00 43.02 39.82 1ums s PHE 132 CO -0.14 -0.42 1.12 0.45 -0.10 0.00 0.00 175.22 176.12 1ums s SER 133 N -3.59 -0.29 0.28 1.36 0.15 -0.70 -4.92 113.70 106.00 1ums s SER 133 Ca 0.55 0.47 -0.18 0.00 0.70 0.00 0.00 55.95 57.49 1ums s SER 133 Cb -0.10 1.06 -0.13 0.00 -1.71 0.00 0.00 66.02 65.14 1ums s SER 133 CO 0.41 -0.07 0.14 -1.14 1.20 0.00 0.00 173.24 173.78 1ums n ARG 134 N 3.28 0.00 0.00 5.44 0.63 -1.26 -2.51 116.66 122.24 1ums n ARG 134 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1ums n ARG 134 Cb 0.57 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.69 1ums n ARG 134 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1ums n LEU 135 N 1.79 0.00 -2.51 6.15 -0.00 -0.13 -4.73 117.00 117.57 1ums n LEU 135 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.78 1ums n LEU 135 Cb 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.75 1ums n LEU 135 CO 0.43 0.00 1.48 -1.22 -0.00 0.00 0.00 177.39 178.09 1ums n TYR 136 N 0.00 2.66 -0.49 1.96 4.01 -1.26 -4.99 117.16 119.04 1ums n TYR 136 Ca 0.00 -2.47 0.07 0.00 -0.16 0.00 0.00 57.90 55.34 1ums n TYR 136 Cb 0.00 -1.28 -0.02 0.00 -0.31 0.00 0.00 39.34 37.73 1ums n TYR 136 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ums n GLU 137 N -0.33 -1.03 -0.41 -0.72 1.02 -1.26 -4.99 120.64 112.91 1ums n GLU 137 Ca 0.53 0.73 -0.29 0.00 -0.02 0.00 0.00 57.16 58.11 1ums n GLU 137 Cb 0.48 -1.25 0.25 0.00 -0.02 0.00 0.00 31.44 30.91 1ums n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ums n GLY 138 N -2.61 -2.83 3.51 0.62 0.00 -1.26 -4.38 105.19 98.24 1ums n GLY 138 Ca -0.00 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1ums n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ums n GLU 139 N -4.62 -1.40 0.00 1.61 -0.58 -1.26 -5.04 120.64 109.35 1ums n GLU 139 Ca 0.06 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1ums n GLU 139 Cb 0.56 -4.38 0.00 0.00 -0.57 0.00 0.00 31.44 27.04 1ums n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ums n ALA 140 N -3.26 0.00 -1.39 0.62 0.00 -1.26 -4.97 120.51 110.25 1ums n ALA 140 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ums n ALA 140 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ums n ALA 140 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ums n ASP 141 N 0.00 0.00 -4.64 0.00 2.03 -0.81 -4.83 116.55 108.29 1ums n ASP 141 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 1ums n ASP 141 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1ums n ASP 141 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ums s ILE 142 N 0.00 5.34 -0.07 5.18 -5.25 -1.25 -3.97 121.20 121.18 1ums s ILE 142 Ca 0.00 0.17 0.04 0.00 -0.99 0.00 0.00 60.65 59.88 1ums s ILE 142 Cb 0.00 -3.50 -0.01 0.00 2.95 0.00 0.00 42.46 41.89 1ums s ILE 142 CO 0.00 0.32 -0.20 -0.04 -1.79 0.00 0.00 174.94 173.23 1ums s MET 143 N 1.24 2.70 -0.02 0.37 1.00 -0.86 -2.20 119.30 121.54 1ums s MET 143 Ca 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 55.69 54.96 1ums s MET 143 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 34.83 32.40 1ums s MET 143 CO 0.06 0.40 -0.04 0.42 0.00 0.00 0.00 175.02 175.86 1ums s ILE 144 N -0.19 0.42 0.00 2.53 1.09 0.01 -2.79 121.20 122.27 1ums s ILE 144 Ca -0.02 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1ums s ILE 144 Cb -0.13 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 40.86 1ums s ILE 144 CO 0.03 0.15 0.00 -1.54 -0.10 0.00 0.00 174.94 173.49 1ums n SER 145 N 3.39 1.93 -3.76 3.58 3.41 -1.06 0.91 113.62 122.02 1ums n SER 145 Ca -0.18 -0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1ums n SER 145 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 1ums n SER 145 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ums s PHE 146 N 0.01 -0.29 -0.21 7.33 -0.71 -1.26 -2.50 117.98 120.35 1ums s PHE 146 Ca 0.00 0.70 -0.36 0.00 -1.04 0.00 0.00 56.93 56.23 1ums s PHE 146 Cb 0.00 0.07 0.15 0.00 -1.21 0.00 0.00 43.02 42.03 1ums s PHE 146 CO 0.00 -0.17 1.31 0.00 -1.34 0.00 0.00 175.22 175.02 1ums s ALA 147 N 0.65 -2.18 0.00 1.99 0.00 -0.86 -4.84 121.76 116.51 1ums s ALA 147 Ca -0.04 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1ums s ALA 147 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1ums s ALA 147 CO -0.04 -0.66 0.00 1.55 0.00 0.00 0.00 175.76 176.62 1ums n VAL 148 N -0.13 0.00 -1.79 0.00 3.14 -1.26 -3.08 118.33 115.20 1ums n VAL 148 Ca 0.01 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1ums n VAL 148 Cb 0.58 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1ums n VAL 148 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1ums n ARG 149 N 0.00 3.24 -3.30 1.45 0.00 -1.26 -4.24 116.66 112.55 1ums n ARG 149 Ca 0.00 -2.77 -0.27 0.00 -0.00 0.00 0.00 57.85 54.81 1ums n ARG 149 Cb 0.00 -3.10 0.03 0.00 -0.00 0.00 0.00 32.46 29.39 1ums n ARG 149 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1ums n GLU 150 N 4.99 -1.94 -0.07 2.89 -0.00 -1.26 -5.02 120.64 120.23 1ums n GLU 150 Ca 0.55 1.58 -0.13 0.00 -0.00 0.00 0.00 57.16 59.16 1ums n GLU 150 Cb 0.35 -2.92 -0.11 0.00 -0.00 0.00 0.00 31.44 28.76 1ums n GLU 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ums h HIS 151 N 2.25 0.00 -0.53 -1.84 2.76 -1.93 -3.51 115.15 112.35 1ums h HIS 151 Ca -0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1ums h HIS 151 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1ums h HIS 151 CO 0.02 0.91 0.00 0.41 -1.30 0.00 0.00 177.93 177.98 1ums n GLY 152 N 1.62 0.51 0.00 5.26 0.00 -1.26 -5.11 105.19 106.21 1ums n GLY 152 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1ums n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ums n ASP 153 N -0.12 0.00 0.00 1.61 8.00 -1.26 -5.14 116.55 119.64 1ums n ASP 153 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ums n ASP 153 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1ums n ASP 153 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ums n PHE 154 N 0.00 0.00 -0.05 1.24 7.35 -1.26 -4.97 117.46 119.77 1ums n PHE 154 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1ums n PHE 154 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1ums n PHE 154 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1ums h TYR 155 N 0.00 0.00 0.00 -5.13 0.05 -1.92 -3.48 116.97 106.49 1ums h TYR 155 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ums h TYR 155 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1ums h TYR 155 CO 0.00 0.10 0.00 -2.30 -1.05 0.00 0.00 178.16 174.91 1ums n PRO 156 N -4.76 0.00 -1.26 4.88 -0.02 -1.26 -4.70 135.00 127.88 1ums n PRO 156 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1ums n PRO 156 Cb 0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.53 1ums n PRO 156 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1ums n PHE 157 N 0.00 -1.16 -0.46 6.00 1.16 -1.26 -4.79 117.46 116.95 1ums n PHE 157 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.61 1ums n PHE 157 Cb 0.00 -1.03 0.29 0.00 -1.61 0.00 0.00 39.48 37.13 1ums n PHE 157 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1ums n ASP 158 N 0.56 4.50 0.00 5.98 5.68 -1.26 -4.50 116.55 127.51 1ums n ASP 158 Ca -0.00 -2.75 0.00 0.00 -0.50 0.00 0.00 54.79 51.53 1ums n ASP 158 Cb 0.09 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1ums n ASP 158 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ums n GLY 159 N 0.36 -2.81 3.56 6.12 0.00 -1.26 -4.52 105.19 106.64 1ums n GLY 159 Ca 0.23 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 1ums n GLY 159 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ums s PRO 160 N -0.93 2.53 0.00 1.61 0.02 -1.26 -4.51 135.00 132.46 1ums s PRO 160 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 61.00 60.63 1ums s PRO 160 Cb 0.00 -5.08 0.00 0.00 0.02 0.00 0.00 34.50 29.44 1ums s PRO 160 CO 0.00 -3.48 0.00 0.41 -0.33 0.00 0.00 177.00 173.60 1ums n GLY 161 N 6.72 3.89 0.00 0.52 0.00 -1.26 -4.88 105.19 110.19 1ums n GLY 161 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ums n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ums n ASN 162 N 0.00 0.00 -4.86 1.61 3.02 -1.24 -4.66 115.26 109.13 1ums n ASN 162 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 1ums n ASN 162 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1ums n ASN 162 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ums s VAL 163 N 0.00 1.81 0.00 2.41 -7.23 -1.26 -4.65 120.40 111.48 1ums s VAL 163 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ums s VAL 163 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1ums s VAL 163 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 1ums n LEU 164 N -1.60 0.00 -4.60 1.32 -0.00 -1.26 -4.68 117.00 106.18 1ums n LEU 164 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.57 1ums n LEU 164 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.00 1ums n LEU 164 CO 0.40 0.00 0.40 0.00 -0.00 0.00 0.00 177.39 178.19 1ums s ALA 165 N 0.00 3.53 -0.98 1.47 0.00 -1.26 -1.87 121.76 122.66 1ums s ALA 165 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1ums s ALA 165 Cb 0.00 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 20.09 1ums s ALA 165 CO 0.00 -1.10 1.28 -3.38 0.00 0.00 0.00 175.76 172.56 1ums s HIS 166 N 2.64 2.84 0.32 0.00 -3.43 -0.34 -4.75 115.29 112.58 1ums s HIS 166 Ca 0.26 -1.14 -0.11 0.00 -0.80 0.00 0.00 55.06 53.26 1ums s HIS 166 Cb -0.15 -4.48 -0.07 0.00 -1.43 0.00 0.00 32.58 26.45 1ums s HIS 166 CO 0.12 -1.70 0.68 0.00 -2.00 0.00 0.00 174.74 171.84 1ums s ALA 167 N 3.76 3.42 -0.12 -1.38 0.00 -1.26 -2.84 121.76 123.35 1ums s ALA 167 Ca 0.39 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 1ums s ALA 167 Cb -0.02 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.53 1ums s ALA 167 CO -0.10 0.28 0.28 0.71 0.00 0.00 0.00 175.76 176.93 1ums s TYR 168 N -2.05 -0.38 0.82 0.00 2.02 0.16 -4.84 117.35 113.08 1ums s TYR 168 Ca 0.51 0.87 -0.14 0.00 -0.37 0.00 0.00 57.07 57.94 1ums s TYR 168 Cb -0.11 0.09 0.21 0.00 -0.40 0.00 0.00 41.96 41.76 1ums s TYR 168 CO 0.23 -0.25 0.52 0.00 -1.57 0.00 0.00 175.55 174.48 1ums n ALA 169 N 4.11 -2.84 -0.03 3.71 0.00 -1.24 -1.27 120.51 122.96 1ums n ALA 169 Ca -0.24 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 1ums n ALA 169 Cb 0.54 -0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1ums n ALA 169 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ums h PRO 170 N 0.00 -0.49 0.00 0.00 0.13 -1.46 0.63 132.00 130.82 1ums h PRO 170 Ca -0.23 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1ums h PRO 170 Cb 0.75 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ums h PRO 170 CO 0.14 -0.33 0.00 0.41 -0.23 0.00 0.00 178.00 177.99 1ums n GLY 171 N -1.43 -1.50 3.43 1.56 0.00 -1.26 -1.71 105.19 104.27 1ums n GLY 171 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1ums n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ums n PRO 172 N -1.13 0.38 0.00 1.61 -0.02 -1.19 -3.74 135.00 130.91 1ums n PRO 172 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ums n PRO 172 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1ums n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ums n GLY 173 N 1.88 -0.93 3.59 -1.23 0.00 -1.26 -3.39 105.19 103.85 1ums n GLY 173 Ca 0.14 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1ums n GLY 173 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ums s ILE 174 N 0.00 3.77 -0.10 -0.61 -5.25 -1.26 -4.67 121.20 113.07 1ums s ILE 174 Ca 0.00 0.74 -0.09 0.00 -0.99 0.00 0.00 60.65 60.31 1ums s ILE 174 Cb 0.00 -4.15 -0.04 0.00 2.95 0.00 0.00 42.46 41.22 1ums s ILE 174 CO 0.00 -0.81 0.41 -0.46 -1.79 0.00 0.00 174.94 172.29 1ums n ASN 175 N 9.52 0.16 -2.17 4.36 0.23 -1.25 -0.29 115.26 125.83 1ums n ASN 175 Ca 0.17 0.15 -0.07 0.00 -0.53 0.00 0.00 54.58 54.30 1ums n ASN 175 Cb 0.48 -0.18 0.03 0.00 -2.08 0.00 0.00 39.78 38.04 1ums n ASN 175 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ums n GLY 176 N 1.40 0.05 3.76 4.83 0.00 0.21 -4.56 105.19 110.88 1ums n GLY 176 Ca 0.10 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1ums n GLY 176 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ums s ASP 177 N -3.33 6.58 -0.09 1.61 2.15 0.60 -2.03 116.67 122.17 1ums s ASP 177 Ca 0.12 0.69 -0.04 0.00 0.43 0.00 0.00 52.55 53.75 1ums s ASP 177 Cb -0.02 -2.22 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1ums s ASP 177 CO 0.31 0.13 0.20 0.00 -0.17 0.00 0.00 175.17 175.64 1ums s ALA 178 N 0.12 -0.37 -0.03 3.66 0.00 -1.12 -0.66 121.76 123.36 1ums s ALA 178 Ca 0.21 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.99 1ums s ALA 178 Cb -0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1ums s ALA 178 CO 0.08 -0.35 -0.14 -1.01 0.00 0.00 0.00 175.76 174.34 1ums s HIS 179 N 1.68 2.70 -0.09 0.00 0.09 -1.13 -2.55 115.29 115.98 1ums s HIS 179 Ca -0.05 -0.16 -0.06 0.00 -0.00 0.00 0.00 55.06 54.80 1ums s HIS 179 Cb -0.11 -1.60 -0.04 0.00 -0.00 0.00 0.00 32.58 30.83 1ums s HIS 179 CO -0.07 0.23 0.15 -0.06 -0.00 0.00 0.00 174.74 174.99 1ums s PHE 180 N -0.80 3.59 -0.82 1.40 0.40 -1.04 -1.19 117.98 119.51 1ums s PHE 180 Ca 0.13 0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 56.74 1ums s PHE 180 Cb -0.11 -1.92 -0.19 0.00 0.51 0.00 0.00 43.02 41.31 1ums s PHE 180 CO 0.02 0.72 2.36 -0.25 0.70 0.00 0.00 175.22 178.78 1ums n ASP 181 N 1.75 0.95 0.32 1.36 9.92 -0.78 -2.03 116.55 128.04 1ums n ASP 181 Ca -0.18 -1.06 0.16 0.00 -0.53 0.00 0.00 54.79 53.18 1ums n ASP 181 Cb 0.54 -1.33 0.83 0.00 -0.64 0.00 0.00 41.12 40.52 1ums n ASP 181 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1ums h ASP 182 N 13.02 0.00 -0.05 -2.24 3.58 -1.83 0.31 116.42 129.21 1ums h ASP 182 Ca -0.02 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 1ums h ASP 182 Cb 1.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1ums h ASP 182 CO 1.20 0.00 -0.11 -0.78 -2.88 0.00 0.00 179.24 176.67 1ums h ASP 183 N 0.00 0.33 -1.39 2.28 1.82 -1.83 -3.45 116.42 114.18 1ums h ASP 183 Ca 0.01 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1ums h ASP 183 Cb 0.67 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1ums h ASP 183 CO -0.00 0.48 0.00 -0.62 -1.61 0.00 0.00 179.24 177.49 1ums n GLU 184 N -4.25 -1.31 -3.19 0.28 4.71 0.11 -4.36 120.64 112.62 1ums n GLU 184 Ca -0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.16 56.90 1ums n GLU 184 Cb 0.28 -0.03 -0.06 0.00 -1.01 0.00 0.00 31.44 30.63 1ums n GLU 184 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ums n GLN 185 N -1.70 0.85 -0.47 3.49 10.64 -1.26 -4.93 117.38 124.01 1ums n GLN 185 Ca 0.00 -3.31 -0.17 0.00 -1.83 0.00 0.00 57.00 51.68 1ums n GLN 185 Cb 0.01 -1.40 -0.02 0.00 -0.86 0.00 0.00 30.24 27.97 1ums n GLN 185 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1ums n TRP 186 N 1.01 0.05 -3.85 2.61 7.02 -1.26 -4.88 117.44 118.14 1ums n TRP 186 Ca 0.23 0.33 -0.05 0.00 -1.02 0.00 0.00 57.50 56.99 1ums n TRP 186 Cb 0.57 -0.65 0.01 0.00 -2.42 0.00 0.00 31.31 28.82 1ums n TRP 186 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1ums s THR 187 N -0.14 0.00 -0.45 -0.99 -1.32 0.78 -4.38 115.64 109.13 1ums s THR 187 Ca 0.26 -0.70 0.08 0.00 -1.21 0.00 0.00 61.69 60.11 1ums s THR 187 Cb -0.36 -2.73 0.18 0.00 -1.51 0.00 0.00 72.50 68.08 1ums s THR 187 CO 0.18 0.00 0.67 -1.59 -2.21 0.00 0.00 174.62 171.67 1ums s LYS 188 N -2.40 0.92 -0.49 7.08 -2.85 -1.26 -2.31 119.74 118.43 1ums s LYS 188 Ca 0.19 -0.60 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 1ums s LYS 188 Cb -0.03 0.03 0.47 0.00 -2.06 0.00 0.00 37.83 36.24 1ums s LYS 188 CO 0.06 -1.25 1.68 -0.25 0.10 0.00 0.00 175.35 175.69 1ums n ASP 189 N 3.82 6.14 0.00 0.03 8.00 -1.26 -4.77 116.55 128.50 1ums n ASP 189 Ca 0.14 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.87 1ums n ASP 189 Cb 0.56 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1ums n ASP 189 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ums n THR 190 N -0.87 0.00 0.00 -3.53 -1.04 -1.26 -4.72 114.28 102.86 1ums n THR 190 Ca 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1ums n THR 190 Cb 0.84 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1ums n THR 190 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ums n THR 191 N -2.13 0.00 0.00 12.58 -2.24 -1.22 -3.86 114.28 117.42 1ums n THR 191 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ums n THR 191 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1ums n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ums n GLY 192 N 0.00 -0.42 2.74 3.38 0.00 -1.26 -4.93 105.19 104.70 1ums n GLY 192 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1ums n GLY 192 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ums s THR 193 N 0.00 0.18 -0.21 2.61 -4.23 -1.26 -3.68 115.64 109.04 1ums s THR 193 Ca 0.00 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 1ums s THR 193 Cb 0.00 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.44 1ums s THR 193 CO 0.00 0.22 0.05 0.21 -0.54 0.00 0.00 174.62 174.56 1ums s ASN 194 N 1.91 5.25 0.40 3.99 3.84 -0.98 -0.16 114.94 129.19 1ums s ASN 194 Ca 0.03 -0.10 0.14 0.00 0.21 0.00 0.00 52.86 53.14 1ums s ASN 194 Cb -0.12 -1.91 0.98 0.00 -0.55 0.00 0.00 41.25 39.64 1ums s ASN 194 CO -0.04 0.07 1.88 0.25 -2.79 0.00 0.00 177.10 176.46 1ums h LEU 195 N 7.48 0.49 0.33 3.21 7.12 -1.94 -2.85 115.31 129.15 1ums h LEU 195 Ca -0.36 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.67 1ums h LEU 195 Cb 1.18 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 1ums h LEU 195 CO 0.62 0.23 -0.25 0.15 -0.13 0.00 0.00 178.44 179.06 1ums h PHE 196 N 0.51 -0.69 0.00 1.25 3.57 -1.87 -0.18 116.94 119.53 1ums h PHE 196 Ca 0.44 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.89 1ums h PHE 196 Cb 0.92 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1ums h PHE 196 CO -0.00 -0.36 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.44 1ums h LEU 197 N -0.57 0.00 -0.03 0.59 4.07 -1.83 0.46 115.31 118.00 1ums h LEU 197 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ums h LEU 197 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1ums h LEU 197 CO 0.01 0.21 -0.26 0.55 -1.08 0.00 0.00 178.44 177.87 1ums n VAL 198 N -4.10 0.00 -0.13 1.22 3.14 -1.22 -1.43 118.33 115.81 1ums n VAL 198 Ca -0.02 -0.01 -0.12 0.00 -2.96 0.00 0.00 64.34 61.23 1ums n VAL 198 Cb 0.28 -0.07 -0.02 0.00 -1.06 0.00 0.00 33.84 32.97 1ums n VAL 198 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ums h ALA 199 N 3.07 0.58 0.26 1.55 0.00 0.17 0.48 119.26 125.37 1ums h ALA 199 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ums h ALA 199 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ums h ALA 199 CO 0.00 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.64 1ums h ALA 200 N 0.80 -0.47 -0.36 0.00 0.00 -0.23 0.26 119.26 119.25 1ums h ALA 200 Ca 0.08 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1ums h ALA 200 Cb 0.86 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ums h ALA 200 CO 0.08 -0.79 0.41 1.25 0.00 0.00 0.00 179.25 180.19 1ums h HIS 201 N -0.49 0.00 0.12 0.00 6.17 -0.98 0.40 115.15 120.37 1ums h HIS 201 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 1ums h HIS 201 Cb 0.44 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1ums h HIS 201 CO -0.14 0.00 -0.06 1.49 0.71 0.00 0.00 177.93 179.93 1ums h GLU 202 N 0.00 -0.15 0.36 5.26 4.81 0.21 -2.13 114.58 122.93 1ums h GLU 202 Ca 0.17 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ums h GLU 202 Cb 0.99 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1ums h GLU 202 CO -0.00 0.07 -0.17 0.82 -0.73 0.00 0.00 179.01 179.00 1ums h ILE 203 N -1.01 0.60 -0.70 2.32 1.08 -0.19 0.88 117.51 120.48 1ums h ILE 203 Ca -0.02 -0.55 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 1ums h ILE 203 Cb 0.29 0.85 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 1ums h ILE 203 CO 0.03 0.10 0.25 1.23 -0.69 0.00 0.00 178.15 179.06 1ums h GLY 204 N -0.82 1.02 0.90 5.37 0.00 -0.40 0.11 103.07 109.24 1ums h GLY 204 Ca -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1ums h GLY 204 CO 0.08 -0.09 0.09 0.45 0.00 0.00 0.00 176.54 177.07 1ums h HIS 205 N 0.40 0.45 0.00 5.60 3.86 -1.28 0.74 115.15 124.93 1ums h HIS 205 Ca 0.38 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ums h HIS 205 Cb 0.55 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1ums h HIS 205 CO -0.19 0.48 0.00 0.45 0.86 0.00 0.00 177.93 179.54 1ums n SER 206 N -4.72 0.00 -1.15 2.45 2.88 0.29 -4.08 113.62 109.30 1ums n SER 206 Ca -0.03 0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 57.88 1ums n SER 206 Cb 0.16 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.16 1ums n SER 206 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ums n LEU 207 N -1.45 -0.65 0.00 2.46 -0.00 -0.35 -1.65 117.00 115.36 1ums n LEU 207 Ca 0.05 -1.45 0.00 0.00 -0.00 0.00 0.00 56.01 54.61 1ums n LEU 207 Cb 0.19 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1ums n LEU 207 CO 0.16 1.17 0.00 0.61 -0.00 0.00 0.00 177.39 179.32 1ums n GLY 208 N -0.24 -0.24 2.50 1.47 0.00 -1.12 -4.92 105.19 102.64 1ums n GLY 208 Ca -0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1ums n GLY 208 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ums n LEU 209 N 0.00 -1.21 -4.55 0.99 -0.00 0.22 -3.72 117.00 108.73 1ums n LEU 209 Ca 0.00 -4.13 -0.38 0.00 -0.00 0.00 0.00 56.01 51.50 1ums n LEU 209 Cb 0.00 0.81 -0.03 0.00 -0.00 0.00 0.00 43.42 44.19 1ums n LEU 209 CO 0.00 2.11 1.38 0.12 -0.00 0.00 0.00 177.39 181.01 1ums s PHE 210 N -0.58 2.08 0.41 1.47 5.36 -1.01 -4.27 117.98 121.43 1ums s PHE 210 Ca 0.31 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 1ums s PHE 210 Cb 0.27 -4.40 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1ums s PHE 210 CO -0.11 -2.07 0.00 0.72 -1.46 0.00 0.00 175.22 172.30 1ums n HIS 211 N 10.97 -3.30 -2.58 10.12 8.25 -1.26 -4.77 115.22 132.65 1ums n HIS 211 Ca 0.20 1.76 0.00 0.00 -0.26 0.00 0.00 57.72 59.42 1ums n HIS 211 Cb 0.50 -2.89 0.00 0.00 1.12 0.00 0.00 29.99 28.72 1ums n HIS 211 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ums n SER 212 N -1.23 0.00 -2.84 0.41 2.88 -1.26 -4.86 113.62 106.71 1ums n SER 212 Ca 0.00 -0.47 -0.08 0.00 -1.33 0.00 0.00 58.87 56.99 1ums n SER 212 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1ums n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ums n ALA 213 N -3.00 -1.13 -3.13 -1.46 0.00 -1.26 -5.04 120.51 105.49 1ums n ALA 213 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 53.44 51.94 1ums n ALA 213 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1ums n ALA 213 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ums s ASN 214 N 0.23 -0.18 0.00 0.00 2.47 -1.26 -5.02 114.94 111.18 1ums s ASN 214 Ca 0.31 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.02 1ums s ASN 214 Cb 0.05 0.53 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 1ums s ASN 214 CO -0.11 -1.00 0.00 0.35 -3.72 0.00 0.00 177.10 172.63 1ums n THR 215 N -0.30 0.00 0.00 -5.21 -2.24 -1.26 -4.19 114.28 101.09 1ums n THR 215 Ca -0.10 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ums n THR 215 Cb 0.63 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1ums n THR 215 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ums n GLU 216 N 0.00 0.00 -0.76 -0.78 0.28 -1.26 -3.19 120.64 114.93 1ums n GLU 216 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ums n GLU 216 Cb 0.00 -1.02 0.25 0.00 1.43 0.00 0.00 31.44 32.10 1ums n GLU 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ums s ALA 217 N -1.82 -0.02 0.19 -1.84 0.00 -1.26 -4.41 121.76 112.59 1ums s ALA 217 Ca 0.00 -0.73 0.35 0.00 0.00 0.00 0.00 51.96 51.58 1ums s ALA 217 Cb 0.00 -2.98 1.52 0.00 0.00 0.00 0.00 23.12 21.66 1ums s ALA 217 CO 0.00 -3.93 2.04 -0.07 0.00 0.00 0.00 175.76 173.80 1ums h LEU 218 N -2.83 0.00 0.00 0.00 4.07 -1.87 -0.26 115.31 114.42 1ums h LEU 218 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1ums h LEU 218 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1ums h LEU 218 CO 0.37 0.01 -0.18 0.24 -1.08 0.00 0.00 178.44 177.79 1ums h MET 219 N 0.00 0.00 -3.58 1.13 2.86 -1.88 -3.45 114.93 110.01 1ums h MET 219 Ca -0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1ums h MET 219 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1ums h MET 219 CO 0.00 0.00 0.28 0.98 1.06 0.00 0.00 176.91 179.23 1ums n TYR 220 N -2.53 0.81 0.06 -0.22 4.19 -0.11 -4.50 117.16 114.87 1ums n TYR 220 Ca 0.04 0.67 0.02 0.00 3.31 0.00 0.00 57.90 61.94 1ums n TYR 220 Cb 0.47 -1.30 0.02 0.00 0.49 0.00 0.00 39.34 39.03 1ums n TYR 220 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1ums n PRO 221 N 1.86 0.01 -2.49 2.98 -0.02 -1.26 -4.74 135.00 131.34 1ums n PRO 221 Ca 0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1ums n PRO 221 Cb -0.01 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1ums n PRO 221 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1ums n LEU 222 N -1.23 0.00 -1.85 2.45 0.00 -1.26 -4.98 117.00 110.13 1ums n LEU 222 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.85 1ums n LEU 222 Cb 0.32 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.84 1ums n LEU 222 CO 0.01 0.00 1.07 0.00 0.00 0.00 0.00 177.39 178.48 1ums n TYR 223 N 1.97 2.03 -1.29 1.96 9.36 -1.26 -3.71 117.16 126.22 1ums n TYR 223 Ca 0.00 -1.57 0.01 0.00 3.32 0.00 0.00 57.90 59.66 1ums n TYR 223 Cb 0.00 -0.79 0.21 0.00 -0.63 0.00 0.00 39.34 38.13 1ums n TYR 223 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ums n HIS 224 N -0.47 0.89 -1.74 2.98 -0.00 -1.25 -3.38 115.22 112.25 1ums n HIS 224 Ca 0.39 -1.33 -0.40 0.00 0.46 0.00 0.00 57.72 56.85 1ums n HIS 224 Cb 1.13 -0.40 0.03 0.00 -0.12 0.00 0.00 29.99 30.63 1ums n HIS 224 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ums n SER 225 N -0.98 2.85 0.15 0.26 2.88 -1.24 -4.90 113.62 112.64 1ums n SER 225 Ca 0.27 1.06 0.16 0.00 -1.33 0.00 0.00 58.87 59.03 1ums n SER 225 Cb 0.94 -1.56 0.54 0.00 -0.75 0.00 0.00 64.21 63.38 1ums n SER 225 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1ums h LEU 226 N 1.89 0.00 0.00 2.46 8.10 -1.95 -3.47 115.31 122.34 1ums h LEU 226 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.49 1ums h LEU 226 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1ums h LEU 226 CO 0.59 0.00 0.00 0.41 -4.11 0.00 0.00 178.44 175.33 1ums n THR 227 N -3.10 0.00 -2.72 0.15 -1.04 -1.26 -4.98 114.28 101.33 1ums n THR 227 Ca 0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.00 1ums n THR 227 Cb 0.83 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.43 1ums n THR 227 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ums n ASP 228 N 0.21 -2.12 -4.57 8.00 5.75 -1.26 -5.08 116.55 117.48 1ums n ASP 228 Ca 0.00 -3.27 -0.40 0.00 -0.01 0.00 0.00 54.79 51.11 1ums n ASP 228 Cb 0.00 1.75 -0.03 0.00 -1.03 0.00 0.00 41.12 41.82 1ums n ASP 228 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ums s LEU 229 N -1.94 3.54 0.00 -2.12 1.98 -1.26 -1.72 118.68 117.16 1ums s LEU 229 Ca 0.22 -1.64 0.00 0.00 -2.89 0.00 0.00 54.13 49.82 1ums s LEU 229 Cb 0.29 -2.57 0.00 0.00 0.66 0.00 0.00 46.19 44.57 1ums s LEU 229 CO -0.09 -1.59 0.00 1.07 -1.89 0.00 0.00 176.35 173.85 1ums n THR 230 N 6.89 0.00 -2.72 3.68 5.66 -1.26 -4.90 114.28 121.63 1ums n THR 230 Ca 0.38 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.30 1ums n THR 230 Cb 0.49 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.36 1ums n THR 230 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1ums n ARG 231 N -0.70 0.80 0.15 1.09 1.85 -0.85 -4.89 116.66 114.10 1ums n ARG 231 Ca 0.00 -1.65 0.02 0.00 -1.00 0.00 0.00 57.85 55.22 1ums n ARG 231 Cb 0.00 -0.97 0.38 0.00 -1.05 0.00 0.00 32.46 30.82 1ums n ARG 231 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1ums h PHE 232 N 3.13 0.15 -5.03 2.89 3.04 -1.68 -3.46 116.94 115.97 1ums h PHE 232 Ca -0.15 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.79 1ums h PHE 232 Cb 1.11 -0.04 -0.13 0.00 2.56 0.00 0.00 35.95 39.45 1ums h PHE 232 CO 0.16 0.37 -1.55 -2.13 -2.02 0.00 0.00 178.31 173.14 1ums n ARG 233 N -4.20 -4.58 -0.04 1.11 0.63 -1.26 -4.82 116.66 103.50 1ums n ARG 233 Ca -0.01 3.44 -0.02 0.00 -0.92 0.00 0.00 57.85 60.34 1ums n ARG 233 Cb 0.33 -4.95 0.02 0.00 0.45 0.00 0.00 32.46 28.31 1ums n ARG 233 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ums n LEU 234 N 1.77 0.00 -4.72 6.15 4.32 -1.26 -4.52 117.00 118.73 1ums n LEU 234 Ca -0.41 -0.07 -0.43 0.00 -0.02 0.00 0.00 56.01 55.09 1ums n LEU 234 Cb 0.63 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1ums n LEU 234 CO 0.38 -1.32 1.14 -0.24 -1.22 0.00 0.00 177.39 176.13 1ums n SER 235 N -3.15 3.40 0.18 -1.43 2.88 -1.26 -4.26 113.62 109.97 1ums n SER 235 Ca 0.01 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.83 1ums n SER 235 Cb 0.04 -1.53 0.53 0.00 -0.75 0.00 0.00 64.21 62.50 1ums n SER 235 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1ums h GLN 236 N 4.44 0.00 0.00 -1.46 4.15 -1.92 0.35 115.11 120.68 1ums h GLN 236 Ca -0.46 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.65 1ums h GLN 236 Cb 1.25 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.88 1ums h GLN 236 CO 0.77 0.00 -2.18 -0.25 -1.93 0.00 0.00 178.83 175.24 1ums n ASP 237 N -2.53 2.39 0.18 -0.69 9.92 -1.26 -2.99 116.55 121.57 1ums n ASP 237 Ca 0.02 -0.11 0.13 0.00 -0.53 0.00 0.00 54.79 54.30 1ums n ASP 237 Cb 0.28 -0.33 0.42 0.00 -0.64 0.00 0.00 41.12 40.86 1ums n ASP 237 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1ums h ASP 238 N -0.00 0.00 -0.18 -2.24 3.58 -1.89 -2.31 116.42 113.38 1ums h ASP 238 Ca -0.46 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.90 1ums h ASP 238 Cb 1.72 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.76 1ums h ASP 238 CO -0.07 0.00 -0.21 0.40 -2.88 0.00 0.00 179.24 176.47 1ums h ILE 239 N 0.00 1.34 0.00 2.25 2.04 -0.40 -2.37 117.51 120.37 1ums h ILE 239 Ca 0.00 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1ums h ILE 239 Cb 0.68 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1ums h ILE 239 CO 0.00 0.42 0.45 -1.13 0.00 0.00 0.00 178.15 177.89 1ums h ASN 240 N 0.11 0.00 0.05 1.72 -1.24 -1.31 0.16 115.58 115.07 1ums h ASN 240 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.67 1ums h ASN 240 Cb 0.77 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.75 1ums h ASN 240 CO 0.05 0.00 -2.33 0.61 -1.29 0.00 0.00 177.43 174.47 1ums n GLY 241 N -1.27 -0.81 0.33 1.57 0.00 -0.93 -4.21 105.19 99.87 1ums n GLY 241 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1ums n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ums h ILE 242 N 0.00 1.19 0.00 -0.61 6.09 -0.37 0.23 117.51 124.05 1ums h ILE 242 Ca -0.53 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.53 1ums h ILE 242 Cb 2.12 0.28 0.00 0.00 0.47 0.00 0.00 36.82 39.69 1ums h ILE 242 CO 0.00 0.20 0.00 0.00 -3.07 0.00 0.00 178.15 175.29 1ums n GLN 243 N -4.40 0.88 -0.01 2.19 6.02 0.30 -2.83 117.38 119.53 1ums n GLN 243 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.04 1ums n GLN 243 Cb 0.08 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1ums n GLN 243 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ums n SER 244 N 0.18 2.91 -0.12 1.08 7.64 0.81 -4.57 113.62 121.55 1ums n SER 244 Ca 0.00 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1ums n SER 244 Cb 0.28 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 1ums n SER 244 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ums h LEU 245 N -0.02 -1.83 0.00 -3.43 -0.00 -1.40 0.35 115.31 108.99 1ums h LEU 245 Ca -0.05 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ums h LEU 245 Cb 1.06 0.75 0.00 0.00 -0.00 0.00 0.00 40.66 42.47 1ums h LEU 245 CO -0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 178.44 178.01 1ums n TYR 246 N -5.39 0.00 -1.90 1.13 4.19 -1.13 -2.93 117.16 111.14 1ums n TYR 246 Ca -0.04 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.90 1ums n TYR 246 Cb 0.35 0.00 0.03 0.00 0.49 0.00 0.00 39.34 40.21 1ums n TYR 246 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ums n GLY 247 N -0.10 6.21 0.00 2.98 0.00 0.11 -4.88 105.19 109.51 1ums n GLY 247 Ca 0.00 -2.59 0.06 0.00 0.00 0.00 0.00 46.02 43.50 1ums n GLY 247 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77