#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmd s LEU 93 N 0.00 4.02 0.20 2.45 1.43 -1.26 -2.58 118.68 122.93 3kmd s LEU 93 Ca 0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3kmd s LEU 93 Cb 0.00 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3kmd s LEU 93 CO 0.00 0.12 0.40 -0.55 0.23 0.00 0.00 176.35 176.55 3kmd s SER 94 N -2.78 6.40 0.35 2.29 0.15 0.14 -4.89 113.70 115.37 3kmd s SER 94 Ca 0.32 0.45 0.27 0.00 0.70 0.00 0.00 55.95 57.69 3kmd s SER 94 Cb -0.12 -2.03 0.90 0.00 -1.71 0.00 0.00 66.02 63.07 3kmd s SER 94 CO 0.25 -0.04 1.78 0.28 1.20 0.00 0.00 173.24 176.71 3kmd h SER 95 N 2.11 0.00 -5.66 5.45 0.02 -1.82 -3.47 113.55 110.19 3kmd h SER 95 Ca -0.48 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.18 3kmd h SER 95 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 3kmd h SER 95 CO 0.69 0.00 -0.56 -0.94 -1.14 0.00 0.00 176.83 174.88 3kmd s SER 96 N -5.06 0.55 -0.10 3.07 1.04 -1.26 -5.15 113.70 106.78 3kmd s SER 96 Ca 0.06 -1.47 0.02 0.00 0.48 0.00 0.00 55.95 55.04 3kmd s SER 96 Cb 0.09 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3kmd s SER 96 CO 0.54 -0.92 -0.16 -0.69 0.98 0.00 0.00 173.24 173.00 3kmd s VAL 97 N -3.95 1.50 0.32 5.02 1.01 -1.26 -4.79 120.40 118.25 3kmd s VAL 97 Ca 0.39 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3kmd s VAL 97 Cb 0.05 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.97 3kmd s VAL 97 CO 0.16 0.44 1.44 -2.84 0.00 0.00 0.00 175.10 174.30 3kmd s PRO 98 N 0.89 4.21 0.50 2.72 0.02 -1.26 -4.96 135.00 137.12 3kmd s PRO 98 Ca -0.09 2.41 -0.23 0.00 0.02 0.00 0.00 61.00 63.11 3kmd s PRO 98 Cb -0.15 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 3kmd s PRO 98 CO 0.00 -0.43 1.38 0.45 -0.33 0.00 0.00 177.00 178.07 3kmd s SER 99 N -0.02 5.56 0.00 2.53 0.15 -1.26 -4.94 113.70 115.72 3kmd s SER 99 Ca 0.55 2.81 0.02 0.00 0.70 0.00 0.00 55.95 60.03 3kmd s SER 99 Cb -0.44 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.25 3kmd s SER 99 CO 0.53 -1.38 0.60 0.00 1.20 0.00 0.00 173.24 174.19 3kmd n GLN 100 N -0.66 -0.49 -1.66 5.44 10.64 -1.26 -5.04 117.38 124.35 3kmd n GLN 100 Ca 0.08 -0.68 -0.49 0.00 -1.83 0.00 0.00 57.00 54.08 3kmd n GLN 100 Cb 0.44 -1.04 -0.05 0.00 -0.86 0.00 0.00 30.24 28.73 3kmd n GLN 100 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kmd n LYS 101 N 0.09 1.88 -1.84 2.61 5.02 -1.26 -4.75 118.16 119.92 3kmd n LYS 101 Ca 0.01 0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3kmd n LYS 101 Cb 0.07 -2.44 -0.02 0.00 -0.02 0.00 0.00 35.03 32.61 3kmd n LYS 101 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kmd s THR 102 N 2.00 2.24 -0.29 -0.18 2.01 -1.26 -4.71 115.64 115.45 3kmd s THR 102 Ca 0.86 0.20 0.00 0.00 0.31 0.00 0.00 61.69 63.06 3kmd s THR 102 Cb -0.77 -3.13 0.14 0.00 0.01 0.00 0.00 72.50 68.76 3kmd s THR 102 CO 0.46 0.03 0.33 -0.47 -0.69 0.00 0.00 174.62 174.29 3kmd s TYR 103 N 0.18 -0.66 0.23 4.92 6.04 0.05 -4.95 117.35 123.16 3kmd s TYR 103 Ca 0.64 0.03 0.16 0.00 0.04 0.00 0.00 57.07 57.94 3kmd s TYR 103 Cb -0.46 -0.34 0.61 0.00 -1.04 0.00 0.00 41.96 40.73 3kmd s TYR 103 CO 0.44 -0.93 1.72 1.96 -1.54 0.00 0.00 175.55 177.20 3kmd h GLN 104 N 8.23 0.00 0.00 4.97 4.20 -1.77 0.32 115.11 131.06 3kmd h GLN 104 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3kmd h GLN 104 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3kmd h GLN 104 CO 0.31 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3kmd n GLY 105 N 0.14 -0.95 0.23 3.46 0.00 -1.26 -0.67 105.19 106.14 3kmd n GLY 105 Ca -0.01 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.99 3kmd n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kmd h SER 106 N 0.00 0.00 -0.22 1.61 0.02 -1.95 -2.85 113.55 110.17 3kmd h SER 106 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kmd h SER 106 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kmd h SER 106 CO 0.00 0.16 0.00 -1.22 -1.14 0.00 0.00 176.83 174.63 3kmd n TYR 107 N -4.32 0.27 -3.15 3.45 4.01 -1.26 -4.83 117.16 111.33 3kmd n TYR 107 Ca -0.03 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.44 3kmd n TYR 107 Cb 0.22 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.32 3kmd n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kmd n GLY 108 N 1.31 -0.19 3.67 2.72 0.00 -1.07 0.32 105.19 111.95 3kmd n GLY 108 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3kmd n GLY 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kmd s PHE 109 N -3.28 3.05 0.12 1.61 5.36 0.15 -3.20 117.98 121.79 3kmd s PHE 109 Ca 0.06 1.16 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 3kmd s PHE 109 Cb -0.03 -3.43 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 3kmd s PHE 109 CO 0.57 -1.33 -0.08 1.03 -1.46 0.00 0.00 175.22 173.94 3kmd s ARG 110 N 3.05 0.94 0.12 10.12 0.52 0.64 -4.38 118.95 129.96 3kmd s ARG 110 Ca 0.53 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3kmd s ARG 110 Cb -0.21 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 3kmd s ARG 110 CO 0.15 0.03 0.19 -0.51 0.02 0.00 0.00 175.30 175.19 3kmd s LEU 111 N -3.06 4.12 0.11 2.53 1.43 -1.26 -0.37 118.68 122.18 3kmd s LEU 111 Ca 0.14 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3kmd s LEU 111 Cb 0.03 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3kmd s LEU 111 CO -0.02 0.11 -0.09 -0.83 0.23 0.00 0.00 176.35 175.75 3kmd s GLY 112 N -2.87 0.86 0.04 -3.19 0.00 -0.11 -4.89 107.32 97.17 3kmd s GLY 112 Ca 0.33 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3kmd s GLY 112 CO 0.26 -1.41 -0.05 -1.36 0.00 0.00 0.00 173.10 170.54 3kmd s PHE 113 N -3.10 0.52 0.96 1.90 0.08 -1.26 -0.72 117.98 116.35 3kmd s PHE 113 Ca 0.10 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 3kmd s PHE 113 Cb 0.02 -0.34 0.17 0.00 -0.57 0.00 0.00 43.02 42.29 3kmd s PHE 113 CO -0.02 -0.20 1.09 -0.51 -0.10 0.00 0.00 175.22 175.48 3kmd s LEU 114 N -2.05 2.04 -0.17 -0.37 1.43 -1.26 -4.95 118.68 113.35 3kmd s LEU 114 Ca -0.05 1.60 0.10 0.00 -1.03 0.00 0.00 54.13 54.75 3kmd s LEU 114 Cb -0.04 -3.90 0.60 0.00 0.03 0.00 0.00 46.19 42.89 3kmd s LEU 114 CO -0.03 -3.05 1.42 1.41 0.23 0.00 0.00 176.35 176.33 3kmd n HIS 115 N -4.16 1.52 -1.44 0.29 8.25 -1.26 -4.57 115.22 113.85 3kmd n HIS 115 Ca 0.07 -0.53 -0.48 0.00 -0.26 0.00 0.00 57.72 56.52 3kmd n HIS 115 Cb 0.55 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3kmd n HIS 115 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kmd n SER 116 N 0.48 -0.67 -2.65 0.41 7.64 -1.26 -4.97 113.62 112.59 3kmd n SER 116 Ca 0.20 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3kmd n SER 116 Cb 0.94 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3kmd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kmd n GLY 117 N 1.84 0.57 1.91 0.23 0.00 -1.26 -4.57 105.19 103.91 3kmd n GLY 117 Ca 0.17 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 3kmd n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kmd n THR 118 N 0.00 2.28 -2.38 2.61 -2.24 -1.26 -4.80 114.28 108.50 3kmd n THR 118 Ca 0.00 -3.86 -0.43 0.00 -2.27 0.00 0.00 64.05 57.49 3kmd n THR 118 Cb 0.00 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3kmd n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kmd n ALA 119 N -0.73 4.08 0.00 6.98 0.00 -1.26 -4.40 120.51 125.19 3kmd n ALA 119 Ca 0.35 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.92 3kmd n ALA 119 Cb 0.92 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.80 3kmd n ALA 119 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kmd n LYS 120 N 7.67 0.00 0.24 0.00 5.02 -1.26 0.14 118.16 129.97 3kmd n LYS 120 Ca 0.49 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.89 3kmd n LYS 120 Cb 0.44 0.00 0.56 0.00 -0.02 0.00 0.00 35.03 36.01 3kmd n LYS 120 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kmd h SER 121 N 0.00 0.00 -1.20 4.39 4.64 -1.94 -3.29 113.55 116.14 3kmd h SER 121 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3kmd h SER 121 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 3kmd h SER 121 CO 0.00 0.19 -0.52 0.55 -0.87 0.00 0.00 176.83 176.19 3kmd n VAL 122 N -3.49 1.87 0.02 0.95 3.14 0.38 -4.89 118.33 116.30 3kmd n VAL 122 Ca -0.01 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.92 3kmd n VAL 122 Cb 0.36 -0.09 -0.10 0.00 -1.06 0.00 0.00 33.84 32.95 3kmd n VAL 122 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kmd n THR 123 N -0.09 0.72 -3.66 1.55 -2.24 -1.26 -4.20 114.28 105.10 3kmd n THR 123 Ca 0.17 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 3kmd n THR 123 Cb 0.27 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 3kmd n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kmd s THR 125 N 2.68 -0.01 -0.10 0.00 -1.32 0.29 -4.76 115.64 112.42 3kmd s THR 125 Ca -0.03 0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 3kmd s THR 125 Cb -0.12 -0.04 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 3kmd s THR 125 CO -0.15 0.01 -0.01 -0.47 -2.21 0.00 0.00 174.62 171.80 3kmd s TYR 126 N 0.15 3.13 -0.38 9.09 5.04 -1.26 -0.29 117.35 132.83 3kmd s TYR 126 Ca -0.01 0.10 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3kmd s TYR 126 Cb -0.02 -1.83 0.05 0.00 0.35 0.00 0.00 41.96 40.52 3kmd s TYR 126 CO -0.00 0.37 0.19 0.45 -1.34 0.00 0.00 175.55 175.21 3kmd s SER 127 N -0.62 5.54 0.40 4.32 0.15 0.18 -4.92 113.70 118.75 3kmd s SER 127 Ca 0.10 -1.28 0.07 0.00 0.70 0.00 0.00 55.95 55.54 3kmd s SER 127 Cb -0.12 -1.95 0.83 0.00 -1.71 0.00 0.00 66.02 63.08 3kmd s SER 127 CO 0.02 -0.43 2.03 -0.65 1.20 0.00 0.00 173.24 175.42 3kmd h PRO 128 N 8.34 0.52 -0.79 5.44 0.11 -1.96 0.20 132.00 143.85 3kmd h PRO 128 Ca -0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3kmd h PRO 128 Cb 1.09 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3kmd h PRO 128 CO 0.68 0.38 0.34 0.00 -0.21 0.00 0.00 178.00 179.19 3kmd h ALA 129 N 1.72 1.02 -0.01 -0.75 0.00 -1.96 -3.07 119.26 116.20 3kmd h ALA 129 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kmd h ALA 129 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3kmd h ALA 129 CO -0.02 0.62 -0.68 1.28 0.00 0.00 0.00 179.25 180.44 3kmd n LEU 130 N -4.32 1.47 -3.99 0.00 4.77 -1.03 -4.98 117.00 108.93 3kmd n LEU 130 Ca 0.07 -0.59 -0.33 0.00 -0.03 0.00 0.00 56.01 55.13 3kmd n LEU 130 Cb 0.17 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3kmd n LEU 130 CO 0.40 0.30 -0.23 -3.20 -1.33 0.00 0.00 177.39 173.34 3kmd n ASN 131 N -0.74 -2.15 -3.78 -1.43 5.15 0.66 -4.78 115.26 108.19 3kmd n ASN 131 Ca 0.07 -1.13 -0.17 0.00 -0.60 0.00 0.00 54.58 52.75 3kmd n ASN 131 Cb 0.40 -2.52 -0.16 0.00 -0.53 0.00 0.00 39.78 36.96 3kmd n ASN 131 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kmd s LYS 132 N -6.79 0.11 0.01 1.20 2.20 -0.89 -1.51 119.74 114.08 3kmd s LYS 132 Ca 0.23 0.16 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 3kmd s LYS 132 Cb -0.10 -0.40 -0.06 0.00 -1.51 0.00 0.00 37.83 35.76 3kmd s LYS 132 CO 0.92 -0.18 0.53 1.41 -0.36 0.00 0.00 175.35 177.68 3kmd s MET 133 N 1.21 4.19 -0.16 4.03 -2.45 0.95 -0.65 119.30 126.42 3kmd s MET 133 Ca -0.07 0.63 0.01 0.00 -1.25 0.00 0.00 55.69 55.01 3kmd s MET 133 Cb -0.13 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.67 3kmd s MET 133 CO -0.03 0.52 -0.17 -0.06 1.05 0.00 0.00 175.02 176.33 3kmd s PHE 134 N -0.64 2.77 0.09 4.11 0.40 0.61 -0.78 117.98 124.53 3kmd s PHE 134 Ca 0.28 -1.20 -0.11 0.00 -0.60 0.00 0.00 56.93 55.30 3kmd s PHE 134 Cb -0.18 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.47 3kmd s PHE 134 CO 0.16 -0.57 0.26 0.00 0.70 0.00 0.00 175.22 175.78 3kmd s GLN 136 N -3.53 3.68 0.21 0.00 -0.21 -0.04 -0.93 119.66 118.84 3kmd s GLN 136 Ca 0.02 0.17 -0.32 0.00 0.02 0.00 0.00 55.36 55.25 3kmd s GLN 136 Cb 0.03 -2.54 -0.12 0.00 1.00 0.00 0.00 33.01 31.37 3kmd s GLN 136 CO -0.09 0.11 1.70 -0.11 -2.12 0.00 0.00 175.29 174.77 3kmd n LEU 137 N -1.14 3.96 0.00 2.90 0.00 -1.26 -2.30 117.00 119.16 3kmd n LEU 137 Ca -0.00 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.08 3kmd n LEU 137 Cb 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.40 3kmd n LEU 137 CO 0.48 0.14 0.00 0.00 0.00 0.00 0.00 177.39 178.01 3kmd n ALA 138 N 3.72 0.00 -2.11 1.96 0.00 0.63 -4.98 120.51 119.74 3kmd n ALA 138 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 3kmd n ALA 138 Cb 0.34 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 3kmd n ALA 138 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kmd s LYS 139 N -0.57 3.72 0.10 0.00 -0.14 -0.97 -4.87 119.74 117.01 3kmd s LYS 139 Ca 0.00 0.52 -0.31 0.00 -1.36 0.00 0.00 55.97 54.82 3kmd s LYS 139 Cb 0.00 -2.31 -0.08 0.00 -1.68 0.00 0.00 37.83 33.76 3kmd s LYS 139 CO 0.00 -0.19 1.52 0.99 -0.76 0.00 0.00 175.35 176.91 3kmd s THR 140 N -2.61 3.07 -0.37 2.17 2.01 -1.26 -4.39 115.64 114.25 3kmd s THR 140 Ca 0.52 0.68 0.03 0.00 0.31 0.00 0.00 61.69 63.23 3kmd s THR 140 Cb -0.10 -3.43 0.11 0.00 0.01 0.00 0.00 72.50 69.08 3kmd s THR 140 CO 0.38 0.03 0.10 0.00 -0.69 0.00 0.00 174.62 174.44 3kmd s PRO 142 N 0.79 4.46 -0.08 0.00 0.02 -1.26 -1.59 135.00 137.34 3kmd s PRO 142 Ca 0.12 1.78 0.02 0.00 0.02 0.00 0.00 61.00 62.95 3kmd s PRO 142 Cb -0.20 -3.32 0.01 0.00 0.02 0.00 0.00 34.50 31.01 3kmd s PRO 142 CO -0.09 -0.18 -0.15 0.08 -0.33 0.00 0.00 177.00 176.33 3kmd s VAL 143 N 0.70 1.38 -0.10 3.83 1.01 0.25 -4.64 120.40 122.83 3kmd s VAL 143 Ca 0.56 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3kmd s VAL 143 Cb -0.30 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3kmd s VAL 143 CO 0.31 0.41 0.37 -1.10 0.00 0.00 0.00 175.10 175.09 3kmd s GLN 144 N 0.74 4.15 -0.27 2.72 -0.21 0.10 -0.41 119.66 126.48 3kmd s GLN 144 Ca -0.12 0.26 -0.11 0.00 0.02 0.00 0.00 55.36 55.41 3kmd s GLN 144 Cb -0.16 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 3kmd s GLN 144 CO 0.03 0.36 0.17 -0.51 -2.12 0.00 0.00 175.29 173.22 3kmd s LEU 145 N 0.03 4.00 -0.09 2.90 1.43 0.29 -0.94 118.68 126.30 3kmd s LEU 145 Ca 0.21 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3kmd s LEU 145 Cb -0.14 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3kmd s LEU 145 CO 0.08 -0.01 -0.10 0.26 0.23 0.00 0.00 176.35 176.81 3kmd s TRP 146 N 1.54 2.85 0.04 0.29 0.52 0.51 -1.73 118.94 122.96 3kmd s TRP 146 Ca 0.07 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3kmd s TRP 146 Cb -0.15 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 3kmd s TRP 146 CO 0.09 0.09 -0.08 0.14 0.02 0.00 0.00 176.95 177.20 3kmd s VAL 147 N -0.30 0.59 0.12 4.03 -7.23 -1.26 -0.26 120.40 116.10 3kmd s VAL 147 Ca 0.03 -1.08 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 3kmd s VAL 147 Cb -0.13 -0.65 -0.21 0.00 0.56 0.00 0.00 36.38 35.96 3kmd s VAL 147 CO 0.03 -0.35 1.27 0.44 -0.31 0.00 0.00 175.10 176.17 3kmd h ASP 148 N 4.51 0.46 -5.10 4.85 3.32 -0.10 -3.46 116.42 120.90 3kmd h ASP 148 Ca -0.36 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.14 3kmd h ASP 148 Cb 1.20 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.44 3kmd h ASP 148 CO 0.41 1.23 -0.69 -0.94 -1.72 0.00 0.00 179.24 177.53 3kmd s SER 149 N -7.08 0.51 -0.16 6.45 1.04 -1.12 -5.03 113.70 108.31 3kmd s SER 149 Ca -0.05 -0.87 -0.29 0.00 0.48 0.00 0.00 55.95 55.22 3kmd s SER 149 Cb 0.08 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kmd s SER 149 CO 0.87 -0.50 1.13 -0.89 0.98 0.00 0.00 173.24 174.82 3kmd s THR 150 N -3.25 4.50 0.73 2.02 2.01 -1.26 -4.78 115.64 115.60 3kmd s THR 150 Ca 0.02 1.80 -0.13 0.00 0.31 0.00 0.00 61.69 63.69 3kmd s THR 150 Cb 0.03 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.41 3kmd s THR 150 CO -0.07 -0.10 1.11 -2.84 -0.69 0.00 0.00 174.62 172.03 3kmd s PRO 151 N 2.92 2.41 0.71 4.92 0.02 -1.26 -4.99 135.00 139.73 3kmd s PRO 151 Ca 0.50 1.34 -0.15 0.00 0.02 0.00 0.00 61.00 62.70 3kmd s PRO 151 Cb -0.19 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3kmd s PRO 151 CO 0.13 -1.55 1.19 -2.14 -0.33 0.00 0.00 177.00 174.31 3kmd s PRO 152 N -4.45 2.32 0.29 5.54 0.02 -1.26 -4.90 135.00 132.57 3kmd s PRO 152 Ca 0.65 1.71 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 3kmd s PRO 152 Cb -0.20 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 3kmd s PRO 152 CO 0.49 -1.68 1.26 -0.35 -0.33 0.00 0.00 177.00 176.38 3kmd n PRO 153 N -2.56 1.89 0.00 5.54 -0.04 -1.26 -1.85 135.00 136.72 3kmd n PRO 153 Ca 0.13 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3kmd n PRO 153 Cb 0.50 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3kmd n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kmd n GLY 154 N 1.30 0.83 3.77 0.55 0.00 -1.26 -4.97 105.19 105.42 3kmd n GLY 154 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kmd n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kmd s THR 155 N -2.23 2.05 0.23 2.61 2.01 -0.77 -3.83 115.64 115.71 3kmd s THR 155 Ca 0.00 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.13 3kmd s THR 155 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3kmd s THR 155 CO 0.00 0.01 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.65 3kmd s ARG 156 N -1.73 1.45 -0.16 4.92 0.52 -0.00 -0.51 118.95 123.44 3kmd s ARG 156 Ca 0.55 -1.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 3kmd s ARG 156 Cb -0.47 -1.32 0.02 0.00 0.52 0.00 0.00 34.95 33.70 3kmd s ARG 156 CO 0.60 0.22 -0.19 0.08 0.02 0.00 0.00 175.30 176.03 3kmd s VAL 157 N -2.83 1.91 -0.01 3.52 1.01 0.63 -1.39 120.40 123.23 3kmd s VAL 157 Ca 0.25 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3kmd s VAL 157 Cb -0.02 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3kmd s VAL 157 CO 0.10 0.52 -0.18 -0.60 0.00 0.00 0.00 175.10 174.93 3kmd s ARG 158 N 1.17 2.26 -0.04 2.72 3.52 -0.33 -1.29 118.95 126.95 3kmd s ARG 158 Ca 0.01 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 54.81 3kmd s ARG 158 Cb -0.14 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 3kmd s ARG 158 CO -0.08 0.58 -0.20 0.00 -0.81 0.00 0.00 175.30 174.78 3kmd s ALA 159 N -0.77 1.77 -0.03 6.12 0.00 -0.04 -0.62 121.76 128.19 3kmd s ALA 159 Ca 0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 3kmd s ALA 159 Cb -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3kmd s ALA 159 CO 0.02 0.35 0.10 1.41 0.00 0.00 0.00 175.76 177.64 3kmd s MET 160 N -0.13 0.15 -0.01 0.00 0.00 -0.76 -1.91 119.30 116.64 3kmd s MET 160 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 55.69 55.71 3kmd s MET 160 Cb -0.12 0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.75 3kmd s MET 160 CO 0.02 -0.02 0.17 0.00 0.00 0.00 0.00 175.02 175.19 3kmd s ALA 161 N -0.13 3.91 0.06 4.11 0.00 -1.26 0.09 121.76 128.54 3kmd s ALA 161 Ca -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3kmd s ALA 161 Cb -0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3kmd s ALA 161 CO 0.00 0.74 -0.06 0.96 0.00 0.00 0.00 175.76 177.40 3kmd s ILE 162 N -1.31 0.50 0.33 0.00 -4.36 -0.56 -4.50 121.20 111.29 3kmd s ILE 162 Ca 0.27 -1.50 -0.29 0.00 -0.26 0.00 0.00 60.65 58.87 3kmd s ILE 162 Cb -0.13 -1.11 -0.10 0.00 1.25 0.00 0.00 42.46 42.37 3kmd s ILE 162 CO 0.18 -0.68 1.38 -0.31 0.24 0.00 0.00 174.94 175.75 3kmd s TYR 163 N -2.63 2.93 0.08 1.37 2.02 -1.26 -0.27 117.35 119.58 3kmd s TYR 163 Ca 0.00 1.28 -0.13 0.00 -0.37 0.00 0.00 57.07 57.85 3kmd s TYR 163 Cb -0.01 -3.79 -0.23 0.00 -0.40 0.00 0.00 41.96 37.52 3kmd s TYR 163 CO -0.03 -2.30 1.18 -0.22 -1.57 0.00 0.00 175.55 172.61 3kmd h LYS 164 N 3.61 0.65 -6.57 -0.62 3.64 -1.61 -3.40 116.57 112.26 3kmd h LYS 164 Ca -0.49 -0.74 -0.53 0.00 -1.27 0.00 0.00 60.65 57.62 3kmd h LYS 164 Cb 1.23 0.22 0.03 0.00 -0.41 0.00 0.00 32.23 33.29 3kmd h LYS 164 CO 0.67 1.32 0.72 -0.65 -2.27 0.00 0.00 179.45 179.24 3kmd s GLN 165 N -3.22 4.32 0.37 1.90 -0.21 -1.26 -4.92 119.66 116.64 3kmd s GLN 165 Ca -0.09 2.09 0.09 0.00 0.02 0.00 0.00 55.36 57.46 3kmd s GLN 165 Cb 0.07 -3.23 0.82 0.00 1.00 0.00 0.00 33.01 31.67 3kmd s GLN 165 CO 0.92 -0.42 1.91 0.66 -2.12 0.00 0.00 175.29 176.25 3kmd h SER 166 N 6.54 0.62 0.99 5.90 4.64 -2.01 -0.89 113.55 129.33 3kmd h SER 166 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kmd h SER 166 Cb 1.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kmd h SER 166 CO 0.85 0.35 0.00 0.06 -0.87 0.00 0.00 176.83 177.22 3kmd h GLN 167 N 0.67 0.00 -0.02 4.77 -0.00 -1.96 -2.73 115.11 115.85 3kmd h GLN 167 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 3kmd h GLN 167 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 3kmd h GLN 167 CO -0.15 0.00 -0.29 0.72 -0.00 0.00 0.00 178.83 179.11 3kmd n HIS 168 N -2.58 0.00 -0.15 0.06 8.25 -0.37 -4.66 115.22 115.78 3kmd n HIS 168 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 3kmd n HIS 168 Cb 0.30 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.85 3kmd n HIS 168 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3kmd h MET 169 N 2.75 0.52 0.00 -0.41 2.86 -1.15 -0.52 114.93 118.97 3kmd h MET 169 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kmd h MET 169 Cb 0.73 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3kmd h MET 169 CO 0.00 0.34 -0.00 0.25 1.06 0.00 0.00 176.91 178.56 3kmd n THR 170 N -4.49 0.12 -2.79 2.22 -2.24 -1.26 -4.62 114.28 101.22 3kmd n THR 170 Ca 0.12 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3kmd n THR 170 Cb 0.38 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 3kmd n THR 170 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kmd s GLU 171 N -3.02 4.37 0.18 -0.78 2.12 -0.20 0.26 118.70 121.63 3kmd s GLU 171 Ca 0.13 1.21 -0.32 0.00 0.36 0.00 0.00 54.97 56.36 3kmd s GLU 171 Cb 0.18 -3.55 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 3kmd s GLU 171 CO 0.54 -0.30 1.64 0.08 -0.54 0.00 0.00 175.26 176.68 3kmd s VAL 172 N 2.00 2.36 -0.10 3.70 1.01 -1.06 -4.58 120.40 123.73 3kmd s VAL 172 Ca 0.44 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 3kmd s VAL 172 Cb -0.18 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3kmd s VAL 172 CO 0.16 0.02 1.19 -0.69 0.00 0.00 0.00 175.10 175.77 3kmd s VAL 173 N 1.19 4.34 0.22 2.92 1.01 -1.26 -4.83 120.40 123.99 3kmd s VAL 173 Ca 0.72 1.64 -0.09 0.00 0.00 0.00 0.00 61.98 64.26 3kmd s VAL 173 Cb -0.46 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 3kmd s VAL 173 CO 0.32 -0.05 0.34 0.00 0.00 0.00 0.00 175.10 175.71 3kmd s ARG 174 N 2.59 1.37 0.64 2.72 1.70 -1.26 -4.72 118.95 121.99 3kmd s ARG 174 Ca 0.54 -1.33 -0.16 0.00 -0.47 0.00 0.00 55.73 54.31 3kmd s ARG 174 Cb -0.23 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 3kmd s ARG 174 CO 0.19 -0.53 1.11 1.03 -1.08 0.00 0.00 175.30 176.02 3kmd s ARG 175 N -4.04 2.87 0.89 3.89 0.52 -0.92 -4.39 118.95 117.76 3kmd s ARG 175 Ca 0.26 1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 56.78 3kmd s ARG 175 Cb 0.02 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.66 3kmd s ARG 175 CO 0.08 -1.20 1.10 0.00 0.02 0.00 0.00 175.30 175.30 3kmd h PRO 177 N -1.48 0.92 0.18 0.00 0.11 -1.81 -0.58 132.00 129.35 3kmd h PRO 177 Ca -0.50 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 3kmd h PRO 177 Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kmd h PRO 177 CO 0.58 0.66 -0.09 1.25 -0.21 0.00 0.00 178.00 180.19 3kmd h HIS 178 N 0.94 -0.22 0.00 0.65 -0.00 -1.92 -2.61 115.15 111.99 3kmd h HIS 178 Ca 0.24 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.53 3kmd h HIS 178 Cb -0.02 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3kmd h HIS 178 CO 0.00 0.09 -0.39 0.45 -0.00 0.00 0.00 177.93 178.08 3kmd h HIS 179 N -0.54 0.00 -0.47 5.26 3.86 -1.89 -1.26 115.15 120.11 3kmd h HIS 179 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3kmd h HIS 179 Cb 0.41 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3kmd h HIS 179 CO 0.02 0.39 0.22 1.49 0.86 0.00 0.00 177.93 180.91 3kmd h GLU 180 N 0.00 0.66 0.00 2.45 4.81 -1.08 -3.18 114.58 118.24 3kmd h GLU 180 Ca -0.00 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3kmd h GLU 180 Cb 0.81 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3kmd h GLU 180 CO 0.05 0.52 -1.52 0.54 -0.73 0.00 0.00 179.01 177.87 3kmd n ARG 181 N -4.38 0.63 -0.98 1.92 1.74 -0.71 -4.73 116.66 110.14 3kmd n ARG 181 Ca 0.04 0.18 -0.30 0.00 -0.77 0.00 0.00 57.85 56.99 3kmd n ARG 181 Cb 0.13 -1.77 0.15 0.00 -1.02 0.00 0.00 32.46 29.95 3kmd n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kmd n SER 183 N -4.06 6.83 0.00 0.00 7.64 -1.26 -4.62 113.62 118.14 3kmd n SER 183 Ca 0.08 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.47 3kmd n SER 183 Cb 0.54 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3kmd n SER 183 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kmd n ASP 184 N 0.94 1.92 -4.77 6.43 5.68 -1.26 -5.04 116.55 120.46 3kmd n ASP 184 Ca 0.37 -1.95 -0.40 0.00 -0.50 0.00 0.00 54.79 52.32 3kmd n ASP 184 Cb 0.30 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 3kmd n ASP 184 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3kmd s SER 185 N -0.95 5.93 -0.02 -1.12 1.04 -1.26 -4.89 113.70 112.43 3kmd s SER 185 Ca 0.00 2.93 0.12 0.00 0.48 0.00 0.00 55.95 59.49 3kmd s SER 185 Cb 0.00 -2.66 0.37 0.00 0.10 0.00 0.00 66.02 63.84 3kmd s SER 185 CO 0.00 -1.14 1.29 -0.90 0.98 0.00 0.00 173.24 173.47 3kmd n ASP 186 N -0.12 2.36 0.00 7.02 3.85 -1.26 -4.87 116.55 123.53 3kmd n ASP 186 Ca 0.05 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 3kmd n ASP 186 Cb 0.41 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3kmd n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kmd n GLY 187 N 1.06 2.30 0.19 6.12 0.00 -1.26 -4.79 105.19 108.81 3kmd n GLY 187 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 3kmd n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kmd n LEU 188 N 0.00 2.49 -4.76 0.99 4.77 -1.26 -5.03 117.00 114.21 3kmd n LEU 188 Ca 0.00 -0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.58 3kmd n LEU 188 Cb 0.00 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 3kmd n LEU 188 CO 0.00 0.56 0.24 0.00 -1.33 0.00 0.00 177.39 176.86 3kmd s ALA 189 N -2.19 3.50 0.64 -1.18 0.00 -1.26 -4.88 121.76 116.39 3kmd s ALA 189 Ca -0.13 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 3kmd s ALA 189 Cb 0.04 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3kmd s ALA 189 CO 0.21 0.14 1.29 -2.14 0.00 0.00 0.00 175.76 175.26 3kmd s PRO 190 N 0.01 2.63 0.50 0.00 0.02 -1.26 -4.58 135.00 132.32 3kmd s PRO 190 Ca 0.29 2.06 0.23 0.00 0.02 0.00 0.00 61.00 63.60 3kmd s PRO 190 Cb -0.17 -1.88 1.34 0.00 0.02 0.00 0.00 34.50 33.80 3kmd s PRO 190 CO 0.15 -1.54 2.07 -1.35 -0.33 0.00 0.00 177.00 175.99 3kmd h PRO 191 N 0.64 0.00 -0.01 5.54 0.11 -1.97 -2.83 132.00 133.48 3kmd h PRO 191 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kmd h PRO 191 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kmd h PRO 191 CO 0.54 0.13 -0.16 0.00 -0.21 0.00 0.00 178.00 178.30 3kmd n GLN 192 N -3.91 1.27 -2.65 1.05 10.64 -1.26 -4.41 117.38 118.10 3kmd n GLN 192 Ca -0.02 -0.80 -0.43 0.00 -1.83 0.00 0.00 57.00 53.93 3kmd n GLN 192 Cb 0.22 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.09 3kmd n GLN 192 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3kmd s HIS 193 N -2.28 3.45 0.08 2.61 3.76 -1.07 -2.17 115.29 119.67 3kmd s HIS 193 Ca 0.29 1.53 -0.21 0.00 -0.15 0.00 0.00 55.06 56.53 3kmd s HIS 193 Cb 0.20 -3.23 -0.10 0.00 1.11 0.00 0.00 32.58 30.56 3kmd s HIS 193 CO 0.44 -0.40 1.57 1.25 -0.85 0.00 0.00 174.74 176.75 3kmd h LEU 194 N 8.18 0.26 -8.97 0.89 5.85 -1.89 -3.44 115.31 116.19 3kmd h LEU 194 Ca -0.30 -0.23 -0.63 0.00 0.84 0.00 0.00 57.88 57.57 3kmd h LEU 194 Cb 1.14 -0.07 -0.17 0.00 0.37 0.00 0.00 40.66 41.93 3kmd h LEU 194 CO 0.87 0.42 -0.57 -0.63 -0.34 0.00 0.00 178.44 178.19 3kmd s ILE 195 N -5.31 4.77 0.26 4.05 1.01 -1.26 -1.27 121.20 123.45 3kmd s ILE 195 Ca -0.14 -0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.59 3kmd s ILE 195 Cb 0.07 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 3kmd s ILE 195 CO 0.71 0.40 -0.14 -0.13 0.00 0.00 0.00 174.94 175.79 3kmd s ARG 196 N 0.83 1.88 -0.14 2.79 0.52 -0.36 -4.71 118.95 119.76 3kmd s ARG 196 Ca 0.04 -1.59 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 3kmd s ARG 196 Cb -0.13 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3kmd s ARG 196 CO 0.02 0.36 -0.04 0.08 0.02 0.00 0.00 175.30 175.74 3kmd s VAL 197 N -2.29 3.86 -0.01 3.52 1.01 -1.26 -0.98 120.40 124.25 3kmd s VAL 197 Ca 0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3kmd s VAL 197 Cb -0.06 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3kmd s VAL 197 CO 0.16 0.51 0.16 -1.83 0.00 0.00 0.00 175.10 174.11 3kmd s GLU 198 N 0.16 3.37 -0.49 2.72 -1.05 0.10 -4.58 118.70 118.93 3kmd s GLU 198 Ca -0.02 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.43 3kmd s GLU 198 Cb -0.14 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 3kmd s GLU 198 CO 0.03 0.67 0.25 0.41 0.95 0.00 0.00 175.26 177.56 3kmd n GLY 199 N 0.98 0.33 2.73 -3.83 0.00 -1.26 -4.57 105.19 99.57 3kmd n GLY 199 Ca -0.11 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 3kmd n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kmd s ASN 200 N -2.95 1.66 0.60 1.61 3.84 -1.26 -5.01 114.94 113.42 3kmd s ASN 200 Ca 0.12 -0.44 0.37 0.00 0.21 0.00 0.00 52.86 53.13 3kmd s ASN 200 Cb -0.05 0.32 1.83 0.00 -0.55 0.00 0.00 41.25 42.79 3kmd s ASN 200 CO 0.15 -0.35 2.16 -0.07 -2.79 0.00 0.00 177.10 176.20 3kmd h LEU 201 N 8.32 0.00 -2.36 3.21 3.38 -1.97 -2.57 115.31 123.33 3kmd h LEU 201 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kmd h LEU 201 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kmd h LEU 201 CO 0.31 0.02 0.00 0.54 0.09 0.00 0.00 178.44 179.40 3kmd n ARG 202 N -3.17 2.95 -2.08 1.13 1.74 -1.26 -4.95 116.66 111.02 3kmd n ARG 202 Ca -0.01 -2.07 -0.41 0.00 -0.77 0.00 0.00 57.85 54.59 3kmd n ARG 202 Cb 0.20 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 3kmd n ARG 202 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kmd s VAL 203 N -1.74 2.65 0.01 1.55 0.11 -0.97 -4.58 120.40 117.42 3kmd s VAL 203 Ca 0.37 0.65 0.08 0.00 -2.93 0.00 0.00 61.98 60.15 3kmd s VAL 203 Cb 0.24 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.65 3kmd s VAL 203 CO 0.18 0.15 -0.24 -1.61 -3.33 0.00 0.00 175.10 170.26 3kmd s GLU 204 N -1.78 1.77 -0.17 1.54 2.02 0.07 -5.00 118.70 117.15 3kmd s GLU 204 Ca 0.50 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 3kmd s GLU 204 Cb -0.40 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 3kmd s GLU 204 CO 0.54 0.48 -0.06 0.71 0.02 0.00 0.00 175.26 176.95 3kmd s TYR 205 N -0.65 2.94 -0.08 1.61 2.02 -1.26 -1.13 117.35 120.79 3kmd s TYR 205 Ca 0.09 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3kmd s TYR 205 Cb -0.09 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 3kmd s TYR 205 CO 0.00 -0.27 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.43 3kmd s LEU 206 N 0.78 2.88 -0.44 -1.29 2.96 0.07 -4.99 118.68 118.65 3kmd s LEU 206 Ca -0.02 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3kmd s LEU 206 Cb -0.15 -1.62 0.12 0.00 0.50 0.00 0.00 46.19 45.04 3kmd s LEU 206 CO 0.02 0.29 0.21 -0.62 -1.32 0.00 0.00 176.35 174.92 3kmd s ASP 207 N -0.37 4.99 0.10 3.68 3.68 -1.26 -1.57 116.67 125.92 3kmd s ASP 207 Ca 0.04 -2.35 -0.31 0.00 2.13 0.00 0.00 52.55 52.07 3kmd s ASP 207 Cb -0.12 -1.75 -0.10 0.00 -1.45 0.00 0.00 42.92 39.50 3kmd s ASP 207 CO 0.02 -0.42 1.81 -0.62 0.13 0.00 0.00 175.17 176.08 3kmd s ASP 208 N 1.08 6.46 0.44 -0.34 -1.08 -0.46 -4.88 116.67 117.88 3kmd s ASP 208 Ca 0.12 2.70 0.22 0.00 -0.52 0.00 0.00 52.55 55.06 3kmd s ASP 208 Cb -0.22 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 39.65 3kmd s ASP 208 CO -0.05 -0.99 1.87 0.03 0.52 0.00 0.00 175.17 176.55 3kmd h ARG 209 N 8.72 0.00 0.04 4.34 -0.00 -1.96 0.98 114.38 126.50 3kmd h ARG 209 Ca -0.46 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 58.64 3kmd h ARG 209 Cb 1.22 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.13 3kmd h ARG 209 CO 0.94 0.26 -2.32 0.09 0.00 0.00 0.00 179.97 178.95 3kmd n ASN 210 N -3.59 2.03 0.00 7.04 3.02 -1.26 -4.57 115.26 117.93 3kmd n ASN 210 Ca -0.01 -0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.63 3kmd n ASN 210 Cb 0.40 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.85 3kmd n ASN 210 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kmd n THR 211 N -3.34 0.06 -0.97 3.41 -2.24 -1.24 -4.62 114.28 105.33 3kmd n THR 211 Ca -0.41 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3kmd n THR 211 Cb 1.01 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3kmd n THR 211 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3kmd n PHE 212 N -2.27 0.00 -2.65 4.78 3.72 0.34 -4.25 117.46 117.14 3kmd n PHE 212 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 3kmd n PHE 212 Cb 0.56 -0.74 -0.05 0.00 -0.94 0.00 0.00 39.48 38.31 3kmd n PHE 212 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kmd s ARG 213 N -0.71 4.41 0.17 -1.08 1.81 -1.26 -4.68 118.95 117.61 3kmd s ARG 213 Ca 0.00 1.46 -0.10 0.00 -1.72 0.00 0.00 55.73 55.37 3kmd s ARG 213 Cb 0.00 -2.73 -0.07 0.00 -0.45 0.00 0.00 34.95 31.70 3kmd s ARG 213 CO 0.00 0.09 0.49 -1.01 -0.68 0.00 0.00 175.30 174.19 3kmd s HIS 214 N -1.58 3.50 0.15 -0.53 3.76 -1.26 -1.36 115.29 117.97 3kmd s HIS 214 Ca 0.53 0.84 -0.18 0.00 -0.15 0.00 0.00 55.06 56.09 3kmd s HIS 214 Cb -0.21 -2.22 0.04 0.00 1.11 0.00 0.00 32.58 31.30 3kmd s HIS 214 CO 0.27 0.38 0.48 -1.54 -0.85 0.00 0.00 174.74 173.48 3kmd s SER 215 N -2.13 -0.33 -0.06 1.40 1.04 -0.61 -4.56 113.70 108.46 3kmd s SER 215 Ca 0.42 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.61 3kmd s SER 215 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3kmd s SER 215 CO 0.21 -0.93 -0.16 0.54 0.98 0.00 0.00 173.24 173.87 3kmd s VAL 216 N -3.81 1.41 -0.02 5.02 0.11 -0.81 -0.75 120.40 121.57 3kmd s VAL 216 Ca 0.04 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 3kmd s VAL 216 Cb 0.00 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.61 3kmd s VAL 216 CO -0.10 0.41 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.30 3kmd s VAL 217 N 0.33 0.75 0.13 2.04 1.01 -0.28 -0.86 120.40 123.52 3kmd s VAL 217 Ca -0.11 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3kmd s VAL 217 Cb -0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3kmd s VAL 217 CO 0.04 0.22 -0.11 0.68 0.00 0.00 0.00 175.10 175.93 3kmd s VAL 218 N -0.02 1.16 0.35 2.92 -7.23 -0.41 -0.75 120.40 116.42 3kmd s VAL 218 Ca 0.00 -1.87 -0.28 0.00 -1.81 0.00 0.00 61.98 58.03 3kmd s VAL 218 Cb -0.06 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 3kmd s VAL 218 CO -0.00 -0.61 1.34 -2.84 -0.31 0.00 0.00 175.10 172.68 3kmd s PRO 219 N -3.22 4.24 0.18 4.82 0.02 -1.26 -0.27 135.00 139.51 3kmd s PRO 219 Ca 0.12 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3kmd s PRO 219 Cb -0.01 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.44 3kmd s PRO 219 CO 0.01 -0.31 1.19 -0.47 -0.33 0.00 0.00 177.00 177.09 3kmd s TYR 220 N -1.16 3.44 -0.11 6.54 5.04 0.33 -4.73 117.35 126.71 3kmd s TYR 220 Ca 0.51 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.60 3kmd s TYR 220 Cb -0.41 -3.42 0.01 0.00 0.35 0.00 0.00 41.96 38.50 3kmd s TYR 220 CO 0.54 -1.15 -0.18 -1.21 -1.34 0.00 0.00 175.55 172.21 3kmd s GLU 221 N -0.24 2.52 0.87 4.97 0.41 -1.26 -4.83 118.70 121.13 3kmd s GLU 221 Ca 0.52 -0.68 -0.12 0.00 -0.41 0.00 0.00 54.97 54.29 3kmd s GLU 221 Cb -0.32 -2.06 0.10 0.00 -1.78 0.00 0.00 34.13 30.07 3kmd s GLU 221 CO 0.36 -0.01 1.05 -0.35 -0.49 0.00 0.00 175.26 175.83 3kmd n PRO 222 N 4.03 -0.15 -1.52 0.39 -0.04 -1.26 -4.75 135.00 131.71 3kmd n PRO 222 Ca -0.20 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 3kmd n PRO 222 Cb 0.52 -2.31 0.08 0.00 -0.04 0.00 0.00 33.50 31.74 3kmd n PRO 222 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kmd n PRO 223 N -3.37 0.75 -1.68 0.54 -0.02 -1.26 -4.92 135.00 125.04 3kmd n PRO 223 Ca 0.12 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 3kmd n PRO 223 Cb 0.51 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3kmd n PRO 223 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kmd n GLU 224 N -1.76 1.48 -1.67 -0.52 4.07 -1.26 -4.83 120.64 116.13 3kmd n GLU 224 Ca 0.14 0.54 -0.46 0.00 -0.06 0.00 0.00 57.16 57.33 3kmd n GLU 224 Cb 0.49 -2.34 -0.04 0.00 -0.06 0.00 0.00 31.44 29.48 3kmd n GLU 224 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3kmd n VAL 225 N -0.96 0.07 -0.04 6.31 0.31 -1.26 -0.49 118.33 122.27 3kmd n VAL 225 Ca 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3kmd n VAL 225 Cb 0.43 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3kmd n VAL 225 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kmd n GLY 226 N 3.35 0.43 3.62 2.92 0.00 -1.26 -5.07 105.19 109.19 3kmd n GLY 226 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3kmd n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kmd s SER 227 N -2.51 4.55 0.00 1.61 0.15 0.36 -5.03 113.70 112.82 3kmd s SER 227 Ca 0.00 -0.46 0.17 0.00 0.70 0.00 0.00 55.95 56.36 3kmd s SER 227 Cb 0.00 -0.89 -0.12 0.00 -1.71 0.00 0.00 66.02 63.30 3kmd s SER 227 CO 0.00 0.11 0.78 0.47 1.20 0.00 0.00 173.24 175.80 3kmd n ASP 228 N 0.04 1.13 -3.90 5.45 9.92 -1.26 -4.71 116.55 123.22 3kmd n ASP 228 Ca -0.10 -1.06 -0.09 0.00 -0.53 0.00 0.00 54.79 53.00 3kmd n ASP 228 Cb 0.55 0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 41.77 3kmd n ASP 228 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kmd s THR 230 N -3.93 4.19 -0.18 0.00 2.01 -0.71 -4.53 115.64 112.50 3kmd s THR 230 Ca 0.13 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 3kmd s THR 230 Cb 0.03 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3kmd s THR 230 CO -0.03 0.47 0.07 -0.89 -0.69 0.00 0.00 174.62 173.55 3kmd s THR 231 N 0.49 4.90 -0.02 -0.82 2.01 -1.26 0.11 115.64 121.04 3kmd s THR 231 Ca -0.01 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.02 3kmd s THR 231 Cb -0.14 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3kmd s THR 231 CO 0.02 0.47 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3kmd s ILE 232 N 0.26 3.55 -0.33 1.82 1.01 0.46 -4.95 121.20 123.02 3kmd s ILE 232 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 3kmd s ILE 232 Cb -0.12 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.90 3kmd s ILE 232 CO -0.00 0.47 0.09 -1.00 0.00 0.00 0.00 174.94 174.50 3kmd s HIS 233 N -0.91 3.26 0.17 3.97 3.76 -1.26 -0.58 115.29 123.70 3kmd s HIS 233 Ca 0.15 -1.50 0.01 0.00 -0.15 0.00 0.00 55.06 53.56 3kmd s HIS 233 Cb -0.11 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 3kmd s HIS 233 CO 0.05 -0.74 0.34 0.71 -0.85 0.00 0.00 174.74 174.24 3kmd s TYR 234 N 1.38 3.49 -0.03 1.40 2.02 -0.62 -0.72 117.35 124.26 3kmd s TYR 234 Ca -0.02 0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 3kmd s TYR 234 Cb -0.20 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3kmd s TYR 234 CO 0.02 0.45 -0.19 -0.80 -1.57 0.00 0.00 175.55 173.45 3kmd s ASN 235 N -3.14 2.35 -0.19 2.29 0.02 -0.15 -0.28 114.94 115.83 3kmd s ASN 235 Ca 0.37 -0.37 -0.05 0.00 -1.02 0.00 0.00 52.86 51.79 3kmd s ASN 235 Cb -0.11 -0.44 -0.03 0.00 0.02 0.00 0.00 41.25 40.70 3kmd s ASN 235 CO 0.29 0.21 -0.01 -0.31 0.02 0.00 0.00 177.10 177.30 3kmd s TYR 236 N -0.26 3.05 -1.66 2.20 1.51 -1.26 -1.23 117.35 119.70 3kmd s TYR 236 Ca 0.03 -0.38 0.19 0.00 -1.01 0.00 0.00 57.07 55.89 3kmd s TYR 236 Cb -0.10 -2.05 0.52 0.00 -0.11 0.00 0.00 41.96 40.23 3kmd s TYR 236 CO 0.01 -0.16 1.43 -1.33 -1.11 0.00 0.00 175.55 174.39 3kmd n MET 237 N 3.99 2.74 -4.06 -0.62 2.81 -0.40 -0.27 117.12 121.32 3kmd n MET 237 Ca -0.17 -2.43 -0.08 0.00 -1.81 0.00 0.00 57.70 53.21 3kmd n MET 237 Cb 0.52 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 3kmd n MET 237 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kmd s ASN 239 N -2.49 6.57 0.56 0.00 0.02 -1.26 -4.77 114.94 113.57 3kmd s ASN 239 Ca 0.00 1.69 0.25 0.00 -1.02 0.00 0.00 52.86 53.79 3kmd s ASN 239 Cb 0.03 -2.53 1.54 0.00 0.02 0.00 0.00 41.25 40.31 3kmd s ASN 239 CO -0.07 -0.62 2.10 0.28 0.02 0.00 0.00 177.10 178.81 3kmd h SER 240 N 1.24 0.00 0.18 -1.22 0.02 -0.72 -1.85 113.55 111.19 3kmd h SER 240 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kmd h SER 240 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3kmd h SER 240 CO 0.60 0.00 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.69 3kmd n SER 241 N -4.08 0.61 -4.68 3.07 3.41 -1.26 0.49 113.62 111.19 3kmd n SER 241 Ca 0.02 -0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 57.30 3kmd n SER 241 Cb 0.31 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 3kmd n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kmd s MET 243 N 3.28 4.44 0.00 0.00 0.23 -1.26 -0.55 119.30 125.44 3kmd s MET 243 Ca 0.84 1.91 0.00 0.00 -1.03 0.00 0.00 55.69 57.41 3kmd s MET 243 Cb -0.48 -3.04 0.00 0.00 -1.53 0.00 0.00 34.83 29.78 3kmd s MET 243 CO 0.39 -0.00 0.00 0.41 -2.03 0.00 0.00 175.02 173.79 3kmd n GLY 244 N 0.95 0.83 0.00 3.16 0.00 -1.26 -4.60 105.19 104.26 3kmd n GLY 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kmd n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kmd n GLY 245 N -2.00 2.11 0.27 -0.02 0.00 -0.75 -4.41 105.19 100.39 3kmd n GLY 245 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3kmd n GLY 245 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kmd h MET 246 N 0.00 0.00 -6.46 1.61 2.07 -1.76 -3.47 114.93 106.93 3kmd h MET 246 Ca 0.00 0.00 -0.49 0.00 -2.07 0.00 0.00 59.70 57.14 3kmd h MET 246 Cb 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.67 3kmd h MET 246 CO 0.00 0.09 -0.86 -1.71 1.07 0.00 0.00 176.91 175.50 3kmd n ASN 247 N -3.72 -1.33 -0.05 1.22 4.05 0.28 -0.77 115.26 114.94 3kmd n ASN 247 Ca -0.02 -0.96 -0.01 0.00 0.45 0.00 0.00 54.58 54.04 3kmd n ASN 247 Cb 0.20 -3.23 -0.00 0.00 1.23 0.00 0.00 39.78 37.97 3kmd n ASN 247 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kmd n ARG 248 N -4.41 -0.77 -3.34 1.20 1.74 0.18 -4.94 116.66 106.31 3kmd n ARG 248 Ca -0.22 0.24 -0.38 0.00 -0.77 0.00 0.00 57.85 56.73 3kmd n ARG 248 Cb 0.64 -3.86 -0.06 0.00 -1.02 0.00 0.00 32.46 28.16 3kmd n ARG 248 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kmd s ARG 249 N -0.94 4.28 0.57 5.56 0.52 0.05 -4.94 118.95 124.05 3kmd s ARG 249 Ca 0.00 0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 55.45 3kmd s ARG 249 Cb 0.00 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3kmd s ARG 249 CO 0.00 0.24 1.25 -2.14 0.02 0.00 0.00 175.30 174.67 3kmd s PRO 250 N 0.35 3.10 0.25 3.54 0.02 -1.26 -4.93 135.00 136.06 3kmd s PRO 250 Ca 0.25 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.29 3kmd s PRO 250 Cb -0.15 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 3kmd s PRO 250 CO 0.11 -1.13 -0.12 0.96 -0.33 0.00 0.00 177.00 176.48 3kmd s ILE 251 N -1.49 1.82 0.01 2.83 -4.36 -1.24 -1.68 121.20 117.09 3kmd s ILE 251 Ca 0.74 -2.21 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 3kmd s ILE 251 Cb -0.33 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 3kmd s ILE 251 CO 0.37 -0.45 -0.07 -0.76 0.24 0.00 0.00 174.94 174.27 3kmd s LEU 252 N -3.40 3.14 -0.22 0.37 1.43 0.63 -1.50 118.68 119.14 3kmd s LEU 252 Ca 0.26 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3kmd s LEU 252 Cb 0.00 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3kmd s LEU 252 CO 0.10 0.27 0.14 -0.89 0.23 0.00 0.00 176.35 176.20 3kmd s THR 253 N -1.01 5.27 -0.26 5.49 2.01 0.75 -1.50 115.64 126.39 3kmd s THR 253 Ca 0.17 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 3kmd s THR 253 Cb -0.11 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3kmd s THR 253 CO 0.08 0.39 0.11 -0.63 -0.69 0.00 0.00 174.62 173.87 3kmd s ILE 254 N 0.80 4.63 -0.28 1.82 1.01 0.11 -1.64 121.20 127.65 3kmd s ILE 254 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 3kmd s ILE 254 Cb -0.13 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3kmd s ILE 254 CO 0.02 0.32 0.12 -0.63 0.00 0.00 0.00 174.94 174.76 3kmd s ILE 255 N 1.62 4.55 -0.06 2.92 -1.09 0.34 -1.82 121.20 127.66 3kmd s ILE 255 Ca 0.06 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3kmd s ILE 255 Cb -0.15 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3kmd s ILE 255 CO 0.06 0.22 -0.17 0.42 -1.23 0.00 0.00 174.94 174.23 3kmd s THR 256 N 1.63 2.78 -0.21 2.92 -4.23 0.20 -1.44 115.64 117.29 3kmd s THR 256 Ca 0.06 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.57 3kmd s THR 256 Cb -0.16 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 3kmd s THR 256 CO 0.06 0.58 0.52 -0.22 -0.54 0.00 0.00 174.62 175.01 3kmd s LEU 257 N -0.50 4.13 0.08 4.79 2.96 0.27 -1.19 118.68 129.22 3kmd s LEU 257 Ca 0.06 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 3kmd s LEU 257 Cb -0.12 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 3kmd s LEU 257 CO 0.01 -0.20 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.91 3kmd s GLU 258 N 1.76 0.74 0.79 1.98 -1.05 -0.49 0.86 118.70 123.30 3kmd s GLU 258 Ca 0.24 -1.01 -0.13 0.00 -0.15 0.00 0.00 54.97 53.91 3kmd s GLU 258 Cb -0.15 -0.50 0.18 0.00 -0.44 0.00 0.00 34.13 33.22 3kmd s GLU 258 CO 0.09 0.09 1.01 -0.40 0.95 0.00 0.00 175.26 177.00 3kmd n ASP 259 N 0.93 -0.23 0.28 0.83 5.68 0.09 -0.82 116.55 123.33 3kmd n ASP 259 Ca -0.19 -1.32 0.17 0.00 -0.50 0.00 0.00 54.79 52.95 3kmd n ASP 259 Cb 0.56 -0.79 0.80 0.00 -1.14 0.00 0.00 41.12 40.56 3kmd n ASP 259 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kmd h SER 260 N -1.52 0.00 0.47 -1.12 4.64 -1.90 0.91 113.55 115.03 3kmd h SER 260 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kmd h SER 260 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3kmd h SER 260 CO 0.23 0.04 -0.37 -1.20 -0.87 0.00 0.00 176.83 174.67 3kmd n SER 261 N -3.22 0.58 0.00 4.97 7.64 -1.26 -4.94 113.62 117.39 3kmd n SER 261 Ca -0.01 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.51 3kmd n SER 261 Cb 0.25 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3kmd n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kmd n GLY 262 N 1.44 0.68 3.77 0.23 0.00 0.31 -5.07 105.19 106.56 3kmd n GLY 262 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kmd n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kmd s ASN 263 N -2.67 6.00 -0.00 1.61 0.01 -1.26 -4.70 114.94 113.93 3kmd s ASN 263 Ca 0.00 2.34 -0.30 0.00 -0.71 0.00 0.00 52.86 54.19 3kmd s ASN 263 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3kmd s ASN 263 CO 0.00 -1.04 1.23 -0.22 -1.51 0.00 0.00 177.10 175.56 3kmd s LEU 264 N -3.19 4.32 -0.11 0.60 2.96 -1.26 -0.73 118.68 121.27 3kmd s LEU 264 Ca 0.66 1.93 0.11 0.00 -0.22 0.00 0.00 54.13 56.61 3kmd s LEU 264 Cb -0.29 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.68 3kmd s LEU 264 CO 0.35 -0.56 0.06 0.18 -1.32 0.00 0.00 176.35 175.06 3kmd n LEU 265 N 4.75 0.00 -3.57 -0.68 4.77 0.25 -4.87 117.00 117.64 3kmd n LEU 265 Ca 0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3kmd n LEU 265 Cb 0.46 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 3kmd n LEU 265 CO 0.56 0.28 0.93 -0.83 -1.33 0.00 0.00 177.39 177.00 3kmd s GLY 266 N -4.43 -0.32 -0.15 -0.72 0.00 -0.84 -4.23 107.32 96.63 3kmd s GLY 266 Ca -0.06 1.52 -0.14 0.00 0.00 0.00 0.00 44.72 46.05 3kmd s GLY 266 CO 0.50 0.53 0.41 -1.60 0.00 0.00 0.00 173.10 172.94 3kmd s ARG 267 N -2.48 0.47 0.19 2.90 3.52 0.11 -0.56 118.95 123.10 3kmd s ARG 267 Ca 0.08 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 56.21 3kmd s ARG 267 Cb -0.01 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 3kmd s ARG 267 CO -0.06 -0.06 0.24 -0.80 -0.81 0.00 0.00 175.30 173.81 3kmd s ASN 268 N 0.31 0.09 0.14 -2.12 -0.87 -0.52 -0.77 114.94 111.20 3kmd s ASN 268 Ca -0.01 -1.12 -0.18 0.00 -1.57 0.00 0.00 52.86 49.99 3kmd s ASN 268 Cb -0.03 0.43 0.04 0.00 -0.02 0.00 0.00 41.25 41.67 3kmd s ASN 268 CO -0.00 -0.90 0.46 -0.94 -2.57 0.00 0.00 177.10 173.14 3kmd s SER 269 N -3.06 -0.31 0.04 -1.22 1.04 -1.26 -0.50 113.70 108.43 3kmd s SER 269 Ca 0.27 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 3kmd s SER 269 Cb 0.04 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3kmd s SER 269 CO 0.06 -0.90 0.29 0.72 0.98 0.00 0.00 173.24 174.39 3kmd s PHE 270 N -3.80 -0.09 0.49 5.02 -0.71 -0.65 -4.99 117.98 113.25 3kmd s PHE 270 Ca 0.03 -0.04 -0.19 0.00 -1.04 0.00 0.00 56.93 55.70 3kmd s PHE 270 Cb 0.01 0.08 -0.08 0.00 -1.21 0.00 0.00 43.02 41.82 3kmd s PHE 270 CO -0.11 -0.49 1.00 -2.00 -1.34 0.00 0.00 175.22 172.28 3kmd s GLU 271 N -2.46 3.91 -0.04 1.99 2.12 -0.57 -0.18 118.70 123.48 3kmd s GLU 271 Ca -0.06 1.14 0.02 0.00 0.36 0.00 0.00 54.97 56.43 3kmd s GLU 271 Cb -0.01 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 32.27 3kmd s GLU 271 CO -0.03 -0.31 -0.07 0.08 -0.54 0.00 0.00 175.26 174.39 3kmd s VAL 272 N -2.31 0.66 -0.20 3.70 1.01 -0.56 -0.04 120.40 122.67 3kmd s VAL 272 Ca 0.63 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 3kmd s VAL 272 Cb -0.12 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kmd s VAL 272 CO 0.24 0.23 -0.15 -0.60 0.00 0.00 0.00 175.10 174.82 3kmd s ARG 273 N 0.54 3.07 -0.27 2.72 3.52 0.04 -3.73 118.95 124.83 3kmd s ARG 273 Ca -0.08 -0.80 -0.11 0.00 -0.13 0.00 0.00 55.73 54.62 3kmd s ARG 273 Cb -0.11 -2.72 -0.05 0.00 -1.56 0.00 0.00 34.95 30.51 3kmd s ARG 273 CO 0.01 -0.23 0.18 0.08 -0.81 0.00 0.00 175.30 174.53 3kmd s VAL 274 N 1.34 5.24 0.23 7.11 1.01 -1.26 -1.52 120.40 132.54 3kmd s VAL 274 Ca 0.05 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 3kmd s VAL 274 Cb -0.14 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3kmd s VAL 274 CO -0.10 0.26 0.56 0.00 0.00 0.00 0.00 175.10 175.82 3kmd h ALA 276 N 2.17 0.65 -2.83 0.00 0.00 -1.97 -3.34 119.26 113.95 3kmd h ALA 276 Ca -0.25 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 3kmd h ALA 276 Cb 1.26 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 3kmd h ALA 276 CO 0.33 0.74 -0.71 0.00 0.00 0.00 0.00 179.25 179.61 3kmd h PRO 278 N 5.46 0.41 -0.37 0.00 0.11 -1.73 -1.18 132.00 134.70 3kmd h PRO 278 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3kmd h PRO 278 Cb 0.81 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 3kmd h PRO 278 CO 0.60 0.27 0.17 0.78 -0.21 0.00 0.00 178.00 179.61 3kmd h GLY 279 N 0.42 0.57 0.80 -0.55 0.00 -1.78 0.10 103.07 102.63 3kmd h GLY 279 Ca 0.24 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.30 3kmd h GLY 279 CO -0.21 0.28 0.00 -0.09 0.00 0.00 0.00 176.54 176.52 3kmd h ARG 280 N 0.45 0.05 -0.12 4.80 2.43 -1.70 -2.26 114.38 118.04 3kmd h ARG 280 Ca 0.13 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 3kmd h ARG 280 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kmd h ARG 280 CO -0.01 0.03 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.47 3kmd h ASP 281 N 0.05 0.42 -0.26 -3.80 3.32 -1.02 -1.65 116.42 113.48 3kmd h ASP 281 Ca 0.06 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3kmd h ASP 281 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kmd h ASP 281 CO -0.11 0.91 0.09 -0.09 -1.72 0.00 0.00 179.24 178.32 3kmd h ARG 282 N 0.29 0.40 -0.77 3.56 2.43 -0.74 -1.66 114.38 117.89 3kmd h ARG 282 Ca -0.00 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3kmd h ARG 282 Cb 1.09 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3kmd h ARG 282 CO 0.10 0.46 0.27 0.00 -1.51 0.00 0.00 179.97 179.29 3kmd h ARG 283 N 0.26 1.17 -0.23 0.20 3.08 -1.24 -1.00 114.38 116.62 3kmd h ARG 283 Ca 0.09 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kmd h ARG 283 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3kmd h ARG 283 CO -0.00 0.97 0.13 1.15 -1.07 0.00 0.00 179.97 181.15 3kmd h THR 284 N 1.13 1.03 -0.14 2.04 2.02 -1.14 -0.00 112.91 117.84 3kmd h THR 284 Ca 0.25 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 3kmd h THR 284 Cb 0.27 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3kmd h THR 284 CO -0.01 0.05 -0.40 -0.33 0.37 0.00 0.00 175.52 175.20 3kmd h GLU 285 N 0.28 0.32 -0.45 6.66 5.08 -1.09 -1.45 114.58 123.92 3kmd h GLU 285 Ca 0.09 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3kmd h GLU 285 Cb -0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kmd h GLU 285 CO -0.04 0.67 -0.14 0.93 -1.00 0.00 0.00 179.01 179.43 3kmd h GLU 286 N 0.26 0.88 -0.69 2.33 5.08 -0.96 -2.94 114.58 118.55 3kmd h GLU 286 Ca 0.02 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3kmd h GLU 286 Cb 0.83 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3kmd h GLU 286 CO 0.07 1.00 0.41 0.93 -1.00 0.00 0.00 179.01 180.41 3kmd h GLU 287 N 0.72 0.94 0.00 2.33 5.08 -0.80 -2.31 114.58 120.54 3kmd h GLU 287 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kmd h GLU 287 Cb 0.69 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kmd h GLU 287 CO 0.05 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.82 3kmd n ASN 288 N -4.55 0.07 0.15 1.42 5.03 -0.56 -1.46 115.26 115.36 3kmd n ASN 288 Ca 0.06 0.52 0.01 0.00 0.87 0.00 0.00 54.58 56.04 3kmd n ASN 288 Cb 0.06 -0.54 0.31 0.00 -1.02 0.00 0.00 39.78 38.59 3kmd n ASN 288 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kmd h LEU 289 N 0.00 0.10 -0.20 3.41 5.85 -1.24 -2.27 115.31 120.96 3kmd h LEU 289 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kmd h LEU 289 Cb 0.18 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kmd h LEU 289 CO 0.00 0.47 -0.04 0.54 -0.34 0.00 0.00 178.44 179.07 3kmd n ARG 290 N -4.08 0.88 0.00 1.25 5.12 -0.54 -5.15 116.66 114.14 3kmd n ARG 290 Ca -0.02 -0.20 0.06 0.00 -1.93 0.00 0.00 57.85 55.76 3kmd n ARG 290 Cb 0.43 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.28 3kmd n ARG 290 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33