#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 3.89 0.23 2.45 1.43 -1.26 -2.64 118.68 122.78 3kmd s LEU 93 Ca 0.00 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3kmd s LEU 93 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 3kmd s LEU 93 CO 0.00 0.16 0.45 -0.55 0.23 0.00 0.00 176.35 176.64 3kmd s SER 94 N -2.52 6.43 0.44 2.29 0.15 0.13 -4.90 113.70 115.73 3kmd s SER 94 Ca 0.30 0.56 0.28 0.00 0.70 0.00 0.00 55.95 57.79 3kmd s SER 94 Cb -0.12 -2.08 0.93 0.00 -1.71 0.00 0.00 66.02 63.04 3kmd s SER 94 CO 0.23 -0.09 1.81 0.28 1.20 0.00 0.00 173.24 176.67 3kmd h SER 95 N 2.01 0.00 -5.52 5.45 0.02 -1.82 -3.47 113.55 110.22 3kmd h SER 95 Ca -0.48 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.12 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 0.68 0.00 -0.57 -0.94 -1.14 0.00 0.00 176.83 174.86 3kmd s SER 96 N -5.56 0.94 -0.10 3.07 1.04 -1.26 -5.15 113.70 106.68 3kmd s SER 96 Ca 0.04 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 54.94 3kmd s SER 96 Cb 0.08 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3kmd s SER 96 CO 0.57 -0.92 -0.13 -0.69 0.98 0.00 0.00 173.24 173.05 3kmd s VAL 97 N -3.81 1.33 0.32 5.02 1.01 -1.26 -4.79 120.40 118.22 3kmd s VAL 97 Ca 0.39 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3kmd s VAL 97 Cb 0.05 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 3kmd s VAL 97 CO 0.18 0.41 1.47 -2.84 0.00 0.00 0.00 175.10 174.32 3kmd s PRO 98 N 1.05 4.19 0.52 2.72 0.02 -1.26 -4.96 135.00 137.28 3kmd s PRO 98 Ca -0.06 2.46 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 3kmd s PRO 98 Cb -0.15 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 3kmd s PRO 98 CO -0.02 -0.47 1.39 0.45 -0.33 0.00 0.00 177.00 178.02 3kmd s SER 99 N 0.05 5.41 0.00 2.53 0.15 -1.26 -4.94 113.70 115.65 3kmd s SER 99 Ca 0.56 2.85 0.02 0.00 0.70 0.00 0.00 55.95 60.08 3kmd s SER 99 Cb -0.45 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.25 3kmd s SER 99 CO 0.54 -1.48 0.70 0.00 1.20 0.00 0.00 173.24 174.19 3kmd n GLN 100 N -0.79 0.27 -1.68 5.44 10.64 -1.26 -5.04 117.38 124.96 3kmd n GLN 100 Ca 0.09 -0.89 -0.46 0.00 -1.83 0.00 0.00 57.00 53.90 3kmd n GLN 100 Cb 0.44 -1.05 -0.04 0.00 -0.86 0.00 0.00 30.24 28.73 3kmd n GLN 100 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3kmd n LYS 101 N 0.03 2.31 -1.75 2.61 4.81 -1.26 -4.74 118.16 120.16 3kmd n LYS 101 Ca 0.02 0.84 -0.42 0.00 -0.87 0.00 0.00 58.31 57.88 3kmd n LYS 101 Cb 0.12 -2.66 -0.02 0.00 0.02 0.00 0.00 35.03 32.48 3kmd n LYS 101 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kmd s THR 102 N 2.48 2.03 -0.29 3.15 2.01 -1.26 -4.71 115.64 119.05 3kmd s THR 102 Ca 0.85 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.87 3kmd s THR 102 Cb -0.64 -3.02 0.14 0.00 0.01 0.00 0.00 72.50 68.99 3kmd s THR 102 CO 0.43 0.00 0.31 -0.47 -0.69 0.00 0.00 174.62 174.20 3kmd s TYR 103 N 0.47 -0.54 0.24 4.92 6.04 0.21 -4.95 117.35 123.73 3kmd s TYR 103 Ca 0.68 -0.10 0.15 0.00 0.04 0.00 0.00 57.07 57.84 3kmd s TYR 103 Cb -0.49 -0.42 0.55 0.00 -1.04 0.00 0.00 41.96 40.57 3kmd s TYR 103 CO 0.42 -0.93 1.69 1.96 -1.54 0.00 0.00 175.55 177.15 3kmd h GLN 104 N 8.25 0.00 0.00 4.97 4.20 -1.77 0.32 115.11 131.08 3kmd h GLN 104 Ca -0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3kmd h GLN 104 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3kmd h GLN 104 CO 0.33 0.48 0.00 0.41 -0.67 0.00 0.00 178.83 179.37 3kmd n GLY 105 N 0.16 -0.93 0.23 3.46 0.00 -1.26 -0.54 105.19 106.32 3kmd n GLY 105 Ca -0.01 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.21 1.61 0.02 -1.95 -2.77 113.55 110.25 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 -4.21 0.26 -3.23 3.45 4.01 -1.26 -4.84 117.16 111.34 3kmd n TYR 107 Ca -0.02 -0.13 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 3kmd n TYR 107 Cb 0.23 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.33 -0.39 3.68 2.72 0.00 -1.05 0.36 105.19 111.84 3kmd n GLY 108 Ca 0.17 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.32 3.34 0.10 1.61 5.36 0.30 -3.19 117.98 122.17 3kmd s PHE 109 Ca 0.07 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 3kmd s PHE 109 Cb -0.01 -3.30 -0.04 0.00 -0.34 0.00 0.00 43.02 39.33 3kmd s PHE 109 CO 0.65 -0.71 -0.07 1.03 -1.46 0.00 0.00 175.22 174.66 3kmd s ARG 110 N 2.33 0.84 0.13 10.12 0.52 0.95 -4.39 118.95 129.45 3kmd s ARG 110 Ca 0.51 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3kmd s ARG 110 Cb -0.20 -0.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 3kmd s ARG 110 CO 0.17 -0.00 0.15 -0.51 0.02 0.00 0.00 175.30 175.13 3kmd s LEU 111 N -2.93 3.93 0.09 2.53 1.43 -1.26 -0.32 118.68 122.14 3kmd s LEU 111 Ca 0.11 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3kmd s LEU 111 Cb 0.04 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3kmd s LEU 111 CO -0.04 0.10 -0.06 -0.83 0.23 0.00 0.00 176.35 175.76 3kmd s GLY 112 N -2.87 0.70 0.04 -3.19 0.00 -0.15 -4.89 107.32 96.97 3kmd s GLY 112 Ca 0.31 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 3kmd s GLY 112 CO 0.24 -1.41 -0.01 -1.36 0.00 0.00 0.00 173.10 170.57 3kmd s PHE 113 N -3.60 0.37 0.86 1.90 0.08 -1.26 -0.94 117.98 115.39 3kmd s PHE 113 Ca 0.10 -0.77 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 3kmd s PHE 113 Cb 0.05 -0.27 0.11 0.00 -0.57 0.00 0.00 43.02 42.34 3kmd s PHE 113 CO -0.06 -0.31 1.09 -0.51 -0.10 0.00 0.00 175.22 175.34 3kmd s LEU 114 N -2.26 2.54 -0.14 -0.37 1.43 -1.26 -4.95 118.68 113.67 3kmd s LEU 114 Ca -0.03 1.65 0.10 0.00 -1.03 0.00 0.00 54.13 54.82 3kmd s LEU 114 Cb -0.00 -4.16 0.53 0.00 0.03 0.00 0.00 46.19 42.58 3kmd s LEU 114 CO -0.06 -2.49 1.32 1.41 0.23 0.00 0.00 176.35 176.76 3kmd n HIS 115 N -3.80 1.29 -1.43 0.29 8.25 -1.26 -4.56 115.22 114.00 3kmd n HIS 115 Ca 0.08 -0.46 -0.49 0.00 -0.26 0.00 0.00 57.72 56.59 3kmd n HIS 115 Cb 0.54 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 0.46 -0.81 -3.03 0.41 7.64 -1.26 -4.97 113.62 112.06 3kmd n SER 116 Ca 0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.20 3kmd n SER 116 Cb 0.83 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.88 -0.75 2.22 0.23 0.00 -1.26 -4.58 105.19 102.93 3kmd n GLY 117 Ca 0.17 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.03 2.48 -2.29 2.61 -2.24 -1.26 -4.80 114.28 108.75 3kmd n THR 118 Ca 0.00 -4.51 -0.26 0.00 -2.27 0.00 0.00 64.05 57.00 3kmd n THR 118 Cb 0.00 -1.20 0.14 0.00 -2.10 0.00 0.00 70.33 67.17 3kmd n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kmd s ALA 119 N -3.58 3.07 0.15 6.98 0.00 -1.26 -4.30 121.76 122.81 3kmd s ALA 119 Ca 0.50 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 3kmd s ALA 119 Cb 0.41 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 3kmd s ALA 119 CO -0.06 -1.86 0.77 0.15 0.00 0.00 0.00 175.76 174.76 3kmd s LYS 120 N -5.46 4.55 0.00 0.00 -0.14 -1.26 -3.71 119.74 113.72 3kmd s LYS 120 Ca 0.69 1.14 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 3kmd s LYS 120 Cb -0.05 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3kmd s LYS 120 CO 0.48 0.55 0.00 0.43 -0.76 0.00 0.00 175.35 176.05 3kmd n SER 121 N 1.70 0.00 -4.67 2.83 7.64 -1.26 -5.06 113.62 114.81 3kmd n SER 121 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 3kmd n SER 121 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 3kmd n SER 121 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kmd s VAL 122 N -2.09 4.76 -0.18 0.44 0.11 -1.24 -4.93 120.40 117.26 3kmd s VAL 122 Ca 0.00 1.98 0.20 0.00 -2.93 0.00 0.00 61.98 61.23 3kmd s VAL 122 Cb 0.00 -4.29 -0.06 0.00 -1.53 0.00 0.00 36.38 30.51 3kmd s VAL 122 CO 0.00 -0.06 0.96 0.71 -3.33 0.00 0.00 175.10 173.38 3kmd h THR 123 N 5.24 0.25 -2.14 5.04 1.35 -1.93 -3.38 112.91 117.33 3kmd h THR 123 Ca -0.26 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3kmd h THR 123 Cb 1.11 1.77 -0.23 0.00 -1.73 0.00 0.00 68.15 69.07 3kmd h THR 123 CO 0.90 0.14 -0.25 0.00 -0.25 0.00 0.00 175.52 176.06 3kmd s THR 125 N 2.77 -0.01 -0.10 0.00 -1.32 0.31 -4.77 115.64 112.53 3kmd s THR 125 Ca -0.02 0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 60.47 3kmd s THR 125 Cb -0.12 -0.06 -0.03 0.00 -1.51 0.00 0.00 72.50 70.78 3kmd s THR 125 CO -0.16 0.01 -0.03 -0.47 -2.21 0.00 0.00 174.62 171.76 3kmd s TYR 126 N 0.16 3.07 -0.37 9.09 5.04 -1.26 -0.26 117.35 132.81 3kmd s TYR 126 Ca -0.01 0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.55 3kmd s TYR 126 Cb -0.02 -1.82 0.04 0.00 0.35 0.00 0.00 41.96 40.52 3kmd s TYR 126 CO -0.00 0.30 0.18 0.45 -1.34 0.00 0.00 175.55 175.14 3kmd s SER 127 N -0.53 5.57 0.38 4.32 0.15 0.05 -4.93 113.70 118.72 3kmd s SER 127 Ca 0.09 -1.14 0.06 0.00 0.70 0.00 0.00 55.95 55.66 3kmd s SER 127 Cb -0.12 -1.96 0.75 0.00 -1.71 0.00 0.00 66.02 62.98 3kmd s SER 127 CO 0.02 -0.39 1.97 -0.65 1.20 0.00 0.00 173.24 175.39 3kmd h PRO 128 N 8.35 0.49 -0.76 5.44 0.11 -1.97 0.19 132.00 143.86 3kmd h PRO 128 Ca -0.24 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3kmd h PRO 128 Cb 1.09 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3kmd h PRO 128 CO 0.66 0.43 0.34 0.00 -0.21 0.00 0.00 178.00 179.22 3kmd h ALA 129 N 1.64 1.17 -0.01 -0.75 0.00 -1.97 -3.05 119.26 116.30 3kmd h ALA 129 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kmd h ALA 129 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kmd h ALA 129 CO -0.01 0.62 -0.52 1.28 0.00 0.00 0.00 179.25 180.62 3kmd n LEU 130 N -4.31 1.59 -4.05 0.00 4.77 -1.07 -4.98 117.00 108.94 3kmd n LEU 130 Ca 0.07 -0.70 -0.35 0.00 -0.03 0.00 0.00 56.01 55.00 3kmd n LEU 130 Cb 0.15 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3kmd n LEU 130 CO 0.40 0.31 -0.25 -3.20 -1.33 0.00 0.00 177.39 173.31 3kmd n ASN 131 N -0.42 -2.10 -3.80 -1.43 5.15 0.62 -4.78 115.26 108.50 3kmd n ASN 131 Ca 0.07 -1.19 -0.17 0.00 -0.60 0.00 0.00 54.58 52.69 3kmd n ASN 131 Cb 0.37 -2.22 -0.16 0.00 -0.53 0.00 0.00 39.78 37.24 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 -7.00 0.25 0.00 1.20 2.20 -0.91 -1.24 119.74 114.25 3kmd s LYS 132 Ca 0.25 0.11 -0.18 0.00 -0.36 0.00 0.00 55.97 55.78 3kmd s LYS 132 Cb -0.12 -0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 35.66 3kmd s LYS 132 CO 0.94 -0.16 0.53 1.41 -0.36 0.00 0.00 175.35 177.71 3kmd s MET 133 N 1.14 4.20 -0.17 4.03 -2.45 0.11 -0.77 119.30 125.40 3kmd s MET 133 Ca -0.08 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 3kmd s MET 133 Cb -0.13 -3.30 0.01 0.00 1.25 0.00 0.00 34.83 32.66 3kmd s MET 133 CO -0.02 0.49 -0.17 -0.06 1.05 0.00 0.00 175.02 176.31 3kmd s PHE 134 N -0.55 2.78 0.10 4.11 0.40 0.64 -0.93 117.98 124.53 3kmd s PHE 134 Ca 0.28 -1.27 -0.09 0.00 -0.60 0.00 0.00 56.93 55.25 3kmd s PHE 134 Cb -0.18 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.45 3kmd s PHE 134 CO 0.16 -0.61 0.21 0.00 0.70 0.00 0.00 175.22 175.68 3kmd s GLN 136 N -3.87 3.64 0.21 0.00 -0.21 0.15 -0.81 119.66 118.78 3kmd s GLN 136 Ca 0.06 0.09 -0.32 0.00 0.02 0.00 0.00 55.36 55.21 3kmd s GLN 136 Cb 0.05 -2.57 -0.12 0.00 1.00 0.00 0.00 33.01 31.37 3kmd s GLN 136 CO -0.10 0.11 1.72 -0.11 -2.12 0.00 0.00 175.29 174.80 3kmd n LEU 137 N -1.23 3.99 -0.42 2.90 0.00 -1.26 -2.35 117.00 118.63 3kmd n LEU 137 Ca -0.01 1.06 -0.05 0.00 0.00 0.00 0.00 56.01 57.01 3kmd n LEU 137 Cb 0.54 -1.57 -0.02 0.00 0.00 0.00 0.00 43.42 42.37 3kmd n LEU 137 CO 0.48 0.18 -0.05 0.00 0.00 0.00 0.00 177.39 178.00 3kmd n ALA 138 N 3.99 -0.08 -2.54 1.96 0.00 0.54 -4.97 120.51 119.40 3kmd n ALA 138 Ca 0.16 0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 3kmd n ALA 138 Cb 0.35 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.15 3.57 0.08 0.00 -0.14 -0.99 -4.91 119.74 115.20 3kmd s LYS 139 Ca 0.00 -0.09 -0.31 0.00 -1.36 0.00 0.00 55.97 54.21 3kmd s LYS 139 Cb 0.00 -2.63 -0.08 0.00 -1.68 0.00 0.00 37.83 33.44 3kmd s LYS 139 CO 0.00 0.15 1.55 0.99 -0.76 0.00 0.00 175.35 177.28 3kmd s THR 140 N -2.23 3.13 -0.36 2.17 2.01 -1.26 -4.40 115.64 114.70 3kmd s THR 140 Ca 0.43 0.66 0.04 0.00 0.31 0.00 0.00 61.69 63.13 3kmd s THR 140 Cb -0.10 -3.43 0.10 0.00 0.01 0.00 0.00 72.50 69.09 3kmd s THR 140 CO 0.33 0.02 0.08 0.00 -0.69 0.00 0.00 174.62 174.36 3kmd s PRO 142 N 0.77 4.41 -0.11 0.00 0.02 -1.26 -1.48 135.00 137.35 3kmd s PRO 142 Ca 0.12 1.73 0.03 0.00 0.02 0.00 0.00 61.00 62.89 3kmd s PRO 142 Cb -0.20 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.91 3kmd s PRO 142 CO -0.08 -0.31 -0.19 0.08 -0.33 0.00 0.00 177.00 176.17 3kmd s VAL 143 N 1.43 1.75 -0.09 3.83 1.01 0.24 -4.62 120.40 123.96 3kmd s VAL 143 Ca 0.58 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 3kmd s VAL 143 Cb -0.28 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3kmd s VAL 143 CO 0.27 0.49 0.41 -1.10 0.00 0.00 0.00 175.10 175.17 3kmd s GLN 144 N 0.70 4.17 -0.27 2.72 -0.21 -0.11 -0.40 119.66 126.26 3kmd s GLN 144 Ca -0.12 0.35 -0.11 0.00 0.02 0.00 0.00 55.36 55.51 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 0.02 0.36 0.19 -0.51 -2.12 0.00 0.00 175.29 173.24 3kmd s LEU 145 N -0.00 4.04 -0.08 2.90 1.43 0.27 -0.98 118.68 126.26 3kmd s LEU 145 Ca 0.23 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3kmd s LEU 145 Cb -0.15 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3kmd s LEU 145 CO 0.10 -0.03 -0.10 0.26 0.23 0.00 0.00 176.35 176.80 3kmd s TRP 146 N 1.64 2.85 0.03 0.29 0.52 0.56 -1.65 118.94 123.19 3kmd s TRP 146 Ca 0.07 -0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.02 3kmd s TRP 146 Cb -0.16 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3kmd s TRP 146 CO 0.10 0.14 -0.07 0.14 0.02 0.00 0.00 176.95 177.28 3kmd s VAL 147 N -0.42 0.45 0.15 4.03 -7.23 -1.26 -0.03 120.40 116.08 3kmd s VAL 147 Ca 0.06 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3kmd s VAL 147 Cb -0.12 -0.51 -0.16 0.00 0.56 0.00 0.00 36.38 36.15 3kmd s VAL 147 CO 0.02 -0.30 1.35 0.44 -0.31 0.00 0.00 175.10 176.29 3kmd h ASP 148 N 4.81 0.45 -5.14 4.85 3.32 -0.06 -3.46 116.42 121.19 3kmd h ASP 148 Ca -0.34 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.23 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 0.43 1.14 -0.66 -0.94 -1.72 0.00 0.00 179.24 177.48 3kmd s SER 149 N -7.02 0.37 -0.14 6.45 1.04 -1.13 -5.03 113.70 108.24 3kmd s SER 149 Ca -0.05 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 3kmd s SER 149 Cb 0.09 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3kmd s SER 149 CO 0.85 -0.50 1.16 -0.89 0.98 0.00 0.00 173.24 174.84 3kmd s THR 150 N -3.02 4.44 0.71 2.02 2.01 -1.26 -4.79 115.64 115.76 3kmd s THR 150 Ca -0.01 1.74 -0.14 0.00 0.31 0.00 0.00 61.69 63.59 3kmd s THR 150 Cb 0.01 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.43 3kmd s THR 150 CO -0.07 -0.09 1.13 -2.84 -0.69 0.00 0.00 174.62 172.06 3kmd s PRO 151 N 2.83 2.45 0.73 4.92 0.02 -1.26 -4.99 135.00 139.71 3kmd s PRO 151 Ca 0.52 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 3kmd s PRO 151 Cb -0.20 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.45 3kmd s PRO 151 CO 0.15 -1.53 1.22 -2.14 -0.33 0.00 0.00 177.00 174.38 3kmd s PRO 152 N -4.27 2.09 0.29 5.54 0.02 -1.26 -4.90 135.00 132.51 3kmd s PRO 152 Ca 0.67 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 3kmd s PRO 152 Cb -0.21 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 3kmd s PRO 152 CO 0.46 -1.89 1.34 -0.35 -0.33 0.00 0.00 177.00 176.23 3kmd n PRO 153 N -2.72 2.05 0.00 5.54 -0.04 -1.26 -2.04 135.00 136.53 3kmd n PRO 153 Ca 0.14 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 3kmd n PRO 153 Cb 0.50 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 1.52 0.55 3.76 0.55 0.00 -1.26 -4.98 105.19 105.32 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 -2.11 2.40 0.25 2.61 2.01 -0.87 -3.49 115.64 116.44 3kmd s THR 155 Ca 0.00 0.37 0.11 0.00 0.31 0.00 0.00 61.69 62.48 3kmd s THR 155 Cb 0.00 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3kmd s THR 155 CO 0.00 0.07 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.68 3kmd s ARG 156 N -1.25 1.58 -0.17 4.92 0.52 0.11 -0.30 118.95 124.36 3kmd s ARG 156 Ca 0.55 -1.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 3kmd s ARG 156 Cb -0.44 -1.67 0.02 0.00 0.52 0.00 0.00 34.95 33.38 3kmd s ARG 156 CO 0.52 0.32 -0.19 0.08 0.02 0.00 0.00 175.30 176.05 3kmd s VAL 157 N -2.41 2.16 -0.04 3.52 1.01 0.74 -0.31 120.40 125.07 3kmd s VAL 157 Ca 0.27 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3kmd s VAL 157 Cb -0.05 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kmd s VAL 157 CO 0.13 0.53 -0.18 -0.60 0.00 0.00 0.00 175.10 174.98 3kmd s ARG 158 N 1.18 2.38 -0.05 2.72 3.52 -0.02 -1.42 118.95 127.26 3kmd s ARG 158 Ca 0.02 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.92 3kmd s ARG 158 Cb -0.14 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 3kmd s ARG 158 CO -0.10 0.60 -0.25 0.00 -0.81 0.00 0.00 175.30 174.75 3kmd s ALA 159 N -0.70 2.12 -0.04 6.12 0.00 -0.15 -0.37 121.76 128.74 3kmd s ALA 159 Ca 0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3kmd s ALA 159 Cb -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3kmd s ALA 159 CO 0.00 0.42 0.12 1.41 0.00 0.00 0.00 175.76 177.72 3kmd s MET 160 N -0.22 0.19 -0.07 0.00 0.00 -0.79 -1.85 119.30 116.57 3kmd s MET 160 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 55.69 55.72 3kmd s MET 160 Cb -0.13 0.09 -0.04 0.00 0.00 0.00 0.00 34.83 34.75 3kmd s MET 160 CO 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 175.02 175.14 3kmd s ALA 161 N -0.14 3.77 0.10 4.11 0.00 -1.26 0.23 121.76 128.56 3kmd s ALA 161 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3kmd s ALA 161 Cb -0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3kmd s ALA 161 CO 0.00 0.66 -0.10 0.96 0.00 0.00 0.00 175.76 177.29 3kmd s ILE 162 N -1.11 0.92 0.33 0.00 -4.36 -0.60 -4.48 121.20 111.90 3kmd s ILE 162 Ca 0.19 -1.69 -0.29 0.00 -0.26 0.00 0.00 60.65 58.60 3kmd s ILE 162 Cb -0.12 -1.41 -0.10 0.00 1.25 0.00 0.00 42.46 42.07 3kmd s ILE 162 CO 0.09 -0.60 1.33 -0.31 0.24 0.00 0.00 174.94 175.69 3kmd s TYR 163 N -2.62 3.01 0.05 1.37 2.02 -1.26 -0.32 117.35 119.60 3kmd s TYR 163 Ca 0.07 1.37 -0.16 0.00 -0.37 0.00 0.00 57.07 57.97 3kmd s TYR 163 Cb -0.02 -3.72 -0.24 0.00 -0.40 0.00 0.00 41.96 37.59 3kmd s TYR 163 CO -0.00 -2.01 1.15 -0.22 -1.57 0.00 0.00 175.55 172.90 3kmd h LYS 164 N 3.47 0.60 -6.56 -0.62 3.64 -1.63 -3.40 116.57 112.09 3kmd h LYS 164 Ca -0.49 -0.66 -0.53 0.00 -1.27 0.00 0.00 60.65 57.70 3kmd h LYS 164 Cb 1.23 0.19 0.03 0.00 -0.41 0.00 0.00 32.23 33.26 3kmd h LYS 164 CO 0.66 1.26 0.74 -0.65 -2.27 0.00 0.00 179.45 179.20 3kmd s GLN 165 N -3.25 4.31 0.35 1.90 -0.21 -1.26 -4.91 119.66 116.59 3kmd s GLN 165 Ca -0.11 2.11 0.10 0.00 0.02 0.00 0.00 55.36 57.48 3kmd s GLN 165 Cb 0.06 -3.23 0.84 0.00 1.00 0.00 0.00 33.01 31.67 3kmd s GLN 165 CO 0.89 -0.46 1.84 0.66 -2.12 0.00 0.00 175.29 176.10 3kmd h SER 166 N 6.78 0.66 0.90 5.90 4.64 -2.01 -0.54 113.55 129.89 3kmd h SER 166 Ca -0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3kmd h SER 166 Cb 1.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3kmd h SER 166 CO 0.87 0.29 0.00 0.06 -0.87 0.00 0.00 176.83 177.18 3kmd h GLN 167 N 0.67 0.00 -0.01 4.77 -0.00 -1.96 -2.71 115.11 115.86 3kmd h GLN 167 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 3kmd h GLN 167 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 3kmd h GLN 167 CO -0.25 0.00 -0.34 0.72 -0.00 0.00 0.00 178.83 178.96 3kmd n HIS 168 N -2.44 0.00 -0.15 0.06 8.25 -0.24 -4.65 115.22 116.06 3kmd n HIS 168 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 3kmd n HIS 168 Cb 0.27 0.00 0.47 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 1.99 0.48 0.00 -0.41 2.86 -1.14 -0.27 114.93 118.44 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 0.59 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3kmd h MET 169 CO 0.00 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.54 3kmd n THR 170 N -4.49 0.07 -2.76 2.22 -2.24 -1.26 -4.61 114.28 101.22 3kmd n THR 170 Ca 0.13 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3kmd n THR 170 Cb 0.43 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.01 4.37 0.21 -0.78 2.12 -0.11 0.22 118.70 121.71 3kmd s GLU 171 Ca 0.14 1.26 -0.31 0.00 0.36 0.00 0.00 54.97 56.41 3kmd s GLU 171 Cb 0.18 -3.56 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 3kmd s GLU 171 CO 0.54 -0.33 1.61 0.08 -0.54 0.00 0.00 175.26 176.61 3kmd s VAL 172 N 2.12 2.33 -0.15 3.70 1.01 -1.08 -4.57 120.40 123.77 3kmd s VAL 172 Ca 0.45 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 3kmd s VAL 172 Cb -0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3kmd s VAL 172 CO 0.15 0.03 1.03 -0.69 0.00 0.00 0.00 175.10 175.61 3kmd s VAL 173 N 0.84 4.73 0.21 2.92 1.01 -1.26 -4.83 120.40 124.02 3kmd s VAL 173 Ca 0.69 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 64.63 3kmd s VAL 173 Cb -0.46 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 3kmd s VAL 173 CO 0.36 -0.06 0.29 0.00 0.00 0.00 0.00 175.10 175.69 3kmd s ARG 174 N 2.43 1.33 0.57 2.72 1.70 -1.26 -4.74 118.95 121.70 3kmd s ARG 174 Ca 0.47 -1.40 -0.19 0.00 -0.47 0.00 0.00 55.73 54.14 3kmd s ARG 174 Cb -0.17 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3kmd s ARG 174 CO 0.14 -0.49 1.14 1.03 -1.08 0.00 0.00 175.30 176.04 3kmd s ARG 175 N -4.07 3.19 0.87 3.89 0.52 -0.89 -4.41 118.95 118.05 3kmd s ARG 175 Ca 0.29 1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 56.99 3kmd s ARG 175 Cb 0.03 -1.98 0.11 0.00 0.52 0.00 0.00 34.95 33.63 3kmd s ARG 175 CO 0.09 -0.98 1.09 0.00 0.02 0.00 0.00 175.30 175.52 3kmd h PRO 177 N -1.46 0.57 0.25 0.00 0.11 -1.82 -0.48 132.00 129.17 3kmd h PRO 177 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3kmd h PRO 177 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kmd h PRO 177 CO 0.54 0.39 -0.12 1.25 -0.21 0.00 0.00 178.00 179.84 3kmd h HIS 178 N 0.59 -0.31 -0.03 0.65 -0.00 -1.92 -2.83 115.15 111.30 3kmd h HIS 178 Ca 0.16 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 3kmd h HIS 178 Cb -0.06 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 3kmd h HIS 178 CO 0.00 0.04 -0.43 0.45 -0.00 0.00 0.00 177.93 177.99 3kmd h HIS 179 N -0.69 0.07 -0.56 5.26 3.86 -1.88 -1.02 115.15 120.18 3kmd h HIS 179 Ca -0.03 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3kmd h HIS 179 Cb 0.48 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3kmd h HIS 179 CO 0.03 0.48 0.38 1.49 0.86 0.00 0.00 177.93 181.17 3kmd h GLU 180 N 0.05 0.52 0.00 2.45 4.81 -1.13 -3.08 114.58 118.20 3kmd h GLU 180 Ca 0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 3kmd h GLU 180 Cb 0.78 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3kmd h GLU 180 CO 0.06 0.35 -1.66 0.54 -0.73 0.00 0.00 179.01 177.56 3kmd n ARG 181 N -4.47 0.64 -0.93 1.92 1.74 -0.64 -4.73 116.66 110.17 3kmd n ARG 181 Ca 0.08 0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.01 3kmd n ARG 181 Cb 0.23 -1.73 0.15 0.00 -1.02 0.00 0.00 32.46 30.09 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 -4.08 6.70 0.00 0.00 7.64 -1.26 -4.62 113.62 117.99 3kmd n SER 183 Ca 0.09 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.51 3kmd n SER 183 Cb 0.53 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.13 1.80 -4.77 6.43 5.68 -1.26 -5.04 116.55 120.52 3kmd n ASP 184 Ca 0.36 -1.86 -0.40 0.00 -0.50 0.00 0.00 54.79 52.39 3kmd n ASP 184 Cb 0.31 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.86 6.10 -0.01 -1.12 1.04 -1.26 -4.89 113.70 112.71 3kmd s SER 185 Ca 0.00 2.99 0.11 0.00 0.48 0.00 0.00 55.95 59.53 3kmd s SER 185 Cb 0.00 -2.66 0.34 0.00 0.10 0.00 0.00 66.02 63.80 3kmd s SER 185 CO 0.00 -1.03 1.27 -0.90 0.98 0.00 0.00 173.24 173.56 3kmd n ASP 186 N 0.13 2.14 0.00 7.02 3.85 -1.26 -4.87 116.55 123.56 3kmd n ASP 186 Ca 0.03 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 3kmd n ASP 186 Cb 0.40 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 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 1.04 2.26 0.25 6.12 0.00 -1.26 -4.79 105.19 108.81 3kmd n GLY 187 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 2.27 -4.76 0.99 4.77 -1.26 -5.03 117.00 113.99 3kmd n LEU 188 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 3kmd n LEU 188 Cb 0.00 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 3kmd n LEU 188 CO 0.00 0.52 0.36 0.00 -1.33 0.00 0.00 177.39 176.94 3kmd s ALA 189 N -2.19 3.44 0.60 -1.18 0.00 -1.26 -4.88 121.76 116.29 3kmd s ALA 189 Ca -0.13 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 3kmd s ALA 189 Cb 0.04 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 3kmd s ALA 189 CO 0.21 0.13 1.30 -2.14 0.00 0.00 0.00 175.76 175.25 3kmd s PRO 190 N -0.13 2.82 0.52 0.00 0.02 -1.26 -4.57 135.00 132.39 3kmd s PRO 190 Ca 0.34 2.08 0.25 0.00 0.02 0.00 0.00 61.00 63.69 3kmd s PRO 190 Cb -0.19 -2.00 1.42 0.00 0.02 0.00 0.00 34.50 33.75 3kmd s PRO 190 CO 0.19 -1.39 2.09 -1.35 -0.33 0.00 0.00 177.00 176.21 3kmd h PRO 191 N 0.92 0.00 -0.01 5.54 0.11 -1.97 -2.86 132.00 133.72 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 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3kmd h PRO 191 CO 0.55 0.11 -0.21 0.00 -0.21 0.00 0.00 178.00 178.24 3kmd n GLN 192 N -3.84 1.24 -2.61 1.05 10.64 -1.26 -4.39 117.38 118.20 3kmd n GLN 192 Ca -0.02 -0.82 -0.42 0.00 -1.83 0.00 0.00 57.00 53.90 3kmd n GLN 192 Cb 0.21 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.08 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 -2.33 3.40 0.08 2.61 3.76 -1.08 -2.09 115.29 119.64 3kmd s HIS 193 Ca 0.27 1.47 -0.19 0.00 -0.15 0.00 0.00 55.06 56.46 3kmd s HIS 193 Cb 0.20 -3.27 -0.09 0.00 1.11 0.00 0.00 32.58 30.53 3kmd s HIS 193 CO 0.46 -0.59 1.52 1.25 -0.85 0.00 0.00 174.74 176.53 3kmd h LEU 194 N 8.11 0.41 -8.88 0.89 5.85 -1.89 -3.44 115.31 116.36 3kmd h LEU 194 Ca -0.32 -0.31 -0.63 0.00 0.84 0.00 0.00 57.88 57.46 3kmd h LEU 194 Cb 1.15 -0.11 -0.19 0.00 0.37 0.00 0.00 40.66 41.88 3kmd h LEU 194 CO 0.87 0.62 -0.57 -0.63 -0.34 0.00 0.00 178.44 178.39 3kmd s ILE 195 N -4.99 4.79 0.22 4.05 1.01 -1.26 -1.29 121.20 123.73 3kmd s ILE 195 Ca -0.14 -0.02 0.10 0.00 0.00 0.00 0.00 60.65 60.60 3kmd s ILE 195 Cb 0.07 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3kmd s ILE 195 CO 0.74 0.35 -0.10 -0.13 0.00 0.00 0.00 174.94 175.81 3kmd s ARG 196 N 1.24 2.02 -0.17 2.79 0.52 -0.47 -4.72 118.95 120.17 3kmd s ARG 196 Ca 0.06 -1.41 -0.05 0.00 -0.52 0.00 0.00 55.73 53.81 3kmd s ARG 196 Cb -0.14 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 3kmd s ARG 196 CO 0.05 0.39 -0.00 0.08 0.02 0.00 0.00 175.30 175.84 3kmd s VAL 197 N -2.01 4.13 0.02 3.52 1.01 -1.26 -0.84 120.40 124.98 3kmd s VAL 197 Ca 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 3kmd s VAL 197 Cb -0.07 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3kmd s VAL 197 CO 0.16 0.47 0.27 -1.83 0.00 0.00 0.00 175.10 174.17 3kmd s GLU 198 N 0.50 3.57 -0.56 2.72 -1.05 -0.03 -4.54 118.70 119.30 3kmd s GLU 198 Ca -0.01 -0.11 -0.03 0.00 -0.15 0.00 0.00 54.97 54.67 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 0.02 0.63 0.33 0.41 0.95 0.00 0.00 175.26 177.60 3kmd n GLY 199 N 0.95 0.29 2.73 -3.83 0.00 -1.26 -4.59 105.19 99.48 3kmd n GLY 199 Ca -0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.99 1.67 0.59 1.61 3.84 -1.26 -5.01 114.94 113.39 3kmd s ASN 200 Ca 0.16 -0.45 0.36 0.00 0.21 0.00 0.00 52.86 53.15 3kmd s ASN 200 Cb -0.07 0.32 1.82 0.00 -0.55 0.00 0.00 41.25 42.77 3kmd s ASN 200 CO 0.20 -0.35 2.17 -0.07 -2.79 0.00 0.00 177.10 176.26 3kmd h LEU 201 N 8.31 0.00 -2.57 3.21 3.38 -1.96 -2.55 115.31 123.13 3kmd h LEU 201 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 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 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.41 3kmd n ARG 202 N -3.27 3.23 -2.07 1.13 1.74 -1.26 -4.94 116.66 111.22 3kmd n ARG 202 Ca -0.02 -2.26 -0.41 0.00 -0.77 0.00 0.00 57.85 54.40 3kmd n ARG 202 Cb 0.19 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.84 2.66 -0.02 1.55 0.11 -0.96 -4.57 120.40 117.33 3kmd s VAL 203 Ca 0.40 0.64 0.07 0.00 -2.93 0.00 0.00 61.98 60.16 3kmd s VAL 203 Cb 0.26 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 3kmd s VAL 203 CO 0.19 0.14 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.26 3kmd s GLU 204 N -1.48 1.90 -0.18 1.54 2.02 0.10 -4.99 118.70 117.61 3kmd s GLU 204 Ca 0.52 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 3kmd s GLU 204 Cb -0.41 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 3kmd s GLU 204 CO 0.51 0.49 -0.05 0.71 0.02 0.00 0.00 175.26 176.94 3kmd s TYR 205 N -0.51 2.97 -0.09 1.61 2.02 -1.26 -0.98 117.35 121.11 3kmd s TYR 205 Ca 0.08 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3kmd s TYR 205 Cb -0.09 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3kmd s TYR 205 CO -0.01 -0.25 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.46 3kmd s LEU 206 N 0.81 3.01 -0.46 -1.29 2.96 0.13 -4.99 118.68 118.84 3kmd s LEU 206 Ca -0.02 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3kmd s LEU 206 Cb -0.15 -1.66 0.12 0.00 0.50 0.00 0.00 46.19 45.01 3kmd s LEU 206 CO 0.02 0.30 0.23 -0.62 -1.32 0.00 0.00 176.35 174.96 3kmd s ASP 207 N -0.44 4.93 0.09 3.68 3.68 -1.26 -1.52 116.67 125.84 3kmd s ASP 207 Ca 0.06 -2.46 -0.31 0.00 2.13 0.00 0.00 52.55 51.97 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 -0.40 1.89 -0.67 0.13 0.00 0.00 175.17 176.14 3kmd n ASP 208 N 3.94 4.07 0.23 -0.34 -0.08 -0.46 -4.87 116.55 119.04 3kmd n ASP 208 Ca 0.03 0.96 0.09 0.00 -1.51 0.00 0.00 54.79 54.36 3kmd n ASP 208 Cb 0.39 -1.53 0.53 0.00 2.34 0.00 0.00 41.12 42.84 3kmd n ASP 208 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3kmd h ARG 209 N 9.23 0.00 0.05 -0.67 -0.00 -1.96 0.13 114.38 121.16 3kmd h ARG 209 Ca -0.48 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 58.62 3kmd h ARG 209 Cb 1.23 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.15 3kmd h ARG 209 CO 0.95 0.24 -2.28 0.09 0.00 0.00 0.00 179.97 178.96 3kmd n ASN 210 N -3.67 2.04 -0.01 7.04 3.02 -1.26 -4.56 115.26 117.86 3kmd n ASN 210 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.65 3kmd n ASN 210 Cb 0.36 -0.60 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.36 0.01 -0.96 3.41 -2.24 -1.23 -4.62 114.28 105.29 3kmd n THR 211 Ca -0.40 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3kmd n THR 211 Cb 1.01 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.23 0.00 -2.63 4.78 3.72 0.44 -4.27 117.46 117.27 3kmd n PHE 212 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 3kmd n PHE 212 Cb 0.56 -0.72 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.68 4.51 0.18 -1.08 1.81 -1.26 -4.67 118.95 117.75 3kmd s ARG 213 Ca 0.00 1.52 -0.13 0.00 -1.72 0.00 0.00 55.73 55.40 3kmd s ARG 213 Cb 0.00 -2.88 -0.07 0.00 -0.45 0.00 0.00 34.95 31.55 3kmd s ARG 213 CO 0.00 0.17 0.56 -1.01 -0.68 0.00 0.00 175.30 174.34 3kmd s HIS 214 N -1.46 3.54 0.14 -0.53 3.76 -1.26 -1.35 115.29 118.14 3kmd s HIS 214 Ca 0.50 1.01 -0.17 0.00 -0.15 0.00 0.00 55.06 56.25 3kmd s HIS 214 Cb -0.24 -2.34 0.04 0.00 1.11 0.00 0.00 32.58 31.15 3kmd s HIS 214 CO 0.30 0.37 0.45 -1.54 -0.85 0.00 0.00 174.74 173.47 3kmd s SER 215 N -1.93 -0.29 -0.07 1.40 1.04 -0.57 -4.56 113.70 108.72 3kmd s SER 215 Ca 0.41 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.56 3kmd s SER 215 Cb -0.14 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3kmd s SER 215 CO 0.20 -0.91 -0.14 0.54 0.98 0.00 0.00 173.24 173.91 3kmd s VAL 216 N -3.81 1.26 -0.02 5.02 0.11 -0.77 -0.70 120.40 121.49 3kmd s VAL 216 Ca 0.04 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3kmd s VAL 216 Cb 0.01 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3kmd s VAL 216 CO -0.10 0.38 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.23 3kmd s VAL 217 N 0.60 1.09 0.13 2.04 1.01 -0.16 -0.97 120.40 124.14 3kmd s VAL 217 Ca -0.15 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3kmd s VAL 217 Cb -0.16 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3kmd s VAL 217 CO 0.04 0.32 -0.12 0.68 0.00 0.00 0.00 175.10 176.02 3kmd s VAL 218 N -0.12 1.19 0.29 2.92 -7.23 -0.51 -0.72 120.40 116.22 3kmd s VAL 218 Ca 0.01 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3kmd s VAL 218 Cb -0.07 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.13 3kmd s VAL 218 CO 0.00 -0.59 1.39 -2.84 -0.31 0.00 0.00 175.10 172.75 3kmd s PRO 219 N -3.17 4.29 0.17 4.82 0.02 -1.26 -0.18 135.00 139.68 3kmd s PRO 219 Ca 0.12 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 3kmd s PRO 219 Cb -0.01 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 3kmd s PRO 219 CO 0.01 -0.34 1.29 -0.47 -0.33 0.00 0.00 177.00 177.16 3kmd s TYR 220 N -0.54 3.31 -0.13 6.54 5.04 0.59 -4.74 117.35 127.43 3kmd s TYR 220 Ca 0.55 1.24 0.02 0.00 -2.44 0.00 0.00 57.07 56.43 3kmd s TYR 220 Cb -0.41 -3.56 0.01 0.00 0.35 0.00 0.00 41.96 38.35 3kmd s TYR 220 CO 0.49 -1.75 -0.18 -1.21 -1.34 0.00 0.00 175.55 171.56 3kmd s GLU 221 N 0.12 2.60 0.71 4.97 0.41 -1.26 -4.82 118.70 121.43 3kmd s GLU 221 Ca 0.57 -0.70 -0.16 0.00 -0.41 0.00 0.00 54.97 54.27 3kmd s GLU 221 Cb -0.35 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 3kmd s GLU 221 CO 0.36 -0.05 1.02 -0.35 -0.49 0.00 0.00 175.26 175.75 3kmd n PRO 222 N 4.17 0.60 -1.38 0.39 -0.04 -1.26 -4.77 135.00 132.71 3kmd n PRO 222 Ca -0.19 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.16 3kmd n PRO 222 Cb 0.51 -2.27 0.07 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.88 0.47 -2.23 0.54 -0.02 -1.26 -4.93 135.00 125.69 3kmd n PRO 223 Ca 0.13 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 3kmd n PRO 223 Cb 0.49 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3kmd n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kmd s GLU 224 N -2.79 3.73 -0.23 -0.52 0.41 -1.26 -4.93 118.70 113.11 3kmd s GLU 224 Ca 0.70 1.00 -0.39 0.00 -0.41 0.00 0.00 54.97 55.86 3kmd s GLU 224 Cb -0.37 -2.10 -0.15 0.00 -1.78 0.00 0.00 34.13 29.72 3kmd s GLU 224 CO 0.54 -0.46 1.73 0.28 -0.49 0.00 0.00 175.26 176.85 3kmd n VAL 225 N -1.86 0.31 0.00 2.63 0.31 -1.26 -1.23 118.33 117.23 3kmd n VAL 225 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3kmd n VAL 225 Cb 0.54 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 4.09 2.20 3.86 2.92 0.00 -1.26 -5.07 105.19 111.93 3kmd n GLY 226 Ca 0.25 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kmd n GLY 226 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kmd s SER 227 N 0.08 6.73 0.00 1.61 0.01 -0.37 -4.98 113.70 116.79 3kmd s SER 227 Ca 0.00 0.98 0.21 0.00 1.31 0.00 0.00 55.95 58.45 3kmd s SER 227 Cb 0.00 -2.25 0.54 0.00 0.21 0.00 0.00 66.02 64.52 3kmd s SER 227 CO 0.00 0.07 1.46 0.47 0.41 0.00 0.00 173.24 175.65 3kmd n ASP 228 N 0.56 3.32 -3.83 2.44 8.00 -1.26 -4.57 116.55 121.20 3kmd n ASP 228 Ca -0.04 -1.97 -0.12 0.00 0.71 0.00 0.00 54.79 53.37 3kmd n ASP 228 Cb 0.52 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 41.18 3kmd n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kmd s THR 230 N -1.53 5.26 -0.18 0.00 2.01 -0.66 -4.54 115.64 116.01 3kmd s THR 230 Ca -0.13 0.69 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 3kmd s THR 230 Cb -0.06 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3kmd s THR 230 CO 0.02 0.36 0.08 -0.89 -0.69 0.00 0.00 174.62 173.50 3kmd s THR 231 N 0.55 4.98 -0.04 -0.82 2.01 -1.26 0.96 115.64 122.02 3kmd s THR 231 Ca 0.20 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3kmd s THR 231 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3kmd s THR 231 CO 0.06 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 3kmd s ILE 232 N 0.30 3.54 -0.32 1.82 1.01 0.47 -4.95 121.20 123.07 3kmd s ILE 232 Ca 0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3kmd s ILE 232 Cb -0.12 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3kmd s ILE 232 CO -0.00 0.52 0.08 -1.00 0.00 0.00 0.00 174.94 174.54 3kmd s HIS 233 N -0.86 3.23 0.14 3.97 3.76 -1.26 -0.59 115.29 123.68 3kmd s HIS 233 Ca 0.14 -1.40 0.01 0.00 -0.15 0.00 0.00 55.06 53.66 3kmd s HIS 233 Cb -0.11 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 3kmd s HIS 233 CO 0.03 -0.71 0.29 0.71 -0.85 0.00 0.00 174.74 174.21 3kmd s TYR 234 N 1.40 3.49 -0.04 1.40 2.02 -0.55 -0.85 117.35 124.22 3kmd s TYR 234 Ca -0.01 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.93 3kmd s TYR 234 Cb -0.19 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 3kmd s TYR 234 CO 0.02 0.50 -0.20 -0.80 -1.57 0.00 0.00 175.55 173.50 3kmd s ASN 235 N -3.08 2.43 -0.19 2.29 0.02 -0.02 -0.13 114.94 116.27 3kmd s ASN 235 Ca 0.35 -0.39 -0.05 0.00 -1.02 0.00 0.00 52.86 51.75 3kmd s ASN 235 Cb -0.11 -0.57 -0.03 0.00 0.02 0.00 0.00 41.25 40.56 3kmd s ASN 235 CO 0.28 0.20 -0.01 -0.31 0.02 0.00 0.00 177.10 177.29 3kmd s TYR 236 N -0.15 3.04 -1.38 2.20 1.51 -1.26 -1.37 117.35 119.94 3kmd s TYR 236 Ca -0.01 -0.40 0.18 0.00 -1.01 0.00 0.00 57.07 55.83 3kmd s TYR 236 Cb -0.11 -2.05 0.55 0.00 -0.11 0.00 0.00 41.96 40.24 3kmd s TYR 236 CO 0.02 -0.17 1.46 -1.33 -1.11 0.00 0.00 175.55 174.42 3kmd n MET 237 N 4.03 2.99 -3.87 -0.62 2.81 -0.41 -0.34 117.12 121.70 3kmd n MET 237 Ca -0.17 -2.53 -0.11 0.00 -1.81 0.00 0.00 57.70 53.08 3kmd n MET 237 Cb 0.52 -1.55 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.18 5.91 0.51 0.00 0.02 -1.26 -4.76 114.94 114.18 3kmd s ASN 239 Ca -0.13 2.09 0.27 0.00 -1.02 0.00 0.00 52.86 54.07 3kmd s ASN 239 Cb -0.07 -2.57 1.37 0.00 0.02 0.00 0.00 41.25 40.00 3kmd s ASN 239 CO 0.01 -1.09 1.92 0.28 0.02 0.00 0.00 177.10 178.24 3kmd h SER 240 N 1.28 0.08 0.50 -1.22 0.02 -0.98 -1.87 113.55 111.36 3kmd h SER 240 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3kmd h SER 240 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3kmd h SER 240 CO 0.58 0.04 -0.10 -1.54 -1.14 0.00 0.00 176.83 174.66 3kmd n SER 241 N -4.35 0.30 -4.69 3.07 3.41 -1.26 0.85 113.62 110.94 3kmd n SER 241 Ca 0.16 -0.31 -0.52 0.00 -0.26 0.00 0.00 58.87 57.93 3kmd n SER 241 Cb 0.79 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 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 3.55 4.53 0.00 0.00 0.23 -1.26 -0.40 119.30 125.96 3kmd s MET 243 Ca 0.94 1.86 0.00 0.00 -1.03 0.00 0.00 55.69 57.46 3kmd s MET 243 Cb -0.87 -3.10 0.00 0.00 -1.53 0.00 0.00 34.83 29.33 3kmd s MET 243 CO 0.57 0.10 0.00 0.41 -2.03 0.00 0.00 175.02 174.07 3kmd n GLY 244 N 1.05 1.47 0.00 3.16 0.00 -1.26 -4.61 105.19 104.99 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 2.35 0.28 -0.02 0.00 -0.79 -4.42 105.19 100.58 3kmd n GLY 245 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.64 1.61 2.07 -1.75 -3.46 114.93 106.75 3kmd h MET 246 Ca 0.00 0.00 -0.53 0.00 -2.07 0.00 0.00 59.70 57.10 3kmd h MET 246 Cb 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 31.60 29.59 3kmd h MET 246 CO 0.00 0.07 -0.85 -1.71 1.07 0.00 0.00 176.91 175.49 3kmd n ASN 247 N -3.44 -2.17 -0.10 1.22 4.05 0.47 -0.67 115.26 114.62 3kmd n ASN 247 Ca -0.02 -1.00 -0.01 0.00 0.45 0.00 0.00 54.58 54.00 3kmd n ASN 247 Cb 0.21 -2.90 -0.01 0.00 1.23 0.00 0.00 39.78 38.31 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 -4.42 -0.55 -3.34 1.20 1.74 0.25 -4.94 116.66 106.60 3kmd n ARG 248 Ca -0.08 0.27 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 3kmd n ARG 248 Cb 0.57 -3.77 -0.06 0.00 -1.02 0.00 0.00 32.46 28.18 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 -1.00 4.27 0.51 5.56 0.52 0.15 -4.94 118.95 124.03 3kmd s ARG 249 Ca 0.00 0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 55.46 3kmd s ARG 249 Cb 0.00 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 3kmd s ARG 249 CO 0.00 0.28 1.24 -2.14 0.02 0.00 0.00 175.30 174.70 3kmd s PRO 250 N 0.23 3.40 0.28 3.54 0.02 -1.26 -4.93 135.00 136.28 3kmd s PRO 250 Ca 0.26 1.95 0.09 0.00 0.02 0.00 0.00 61.00 63.32 3kmd s PRO 250 Cb -0.16 -2.27 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 3kmd s PRO 250 CO 0.11 -0.89 -0.13 0.96 -0.33 0.00 0.00 177.00 176.72 3kmd s ILE 251 N -1.47 2.10 -0.01 2.83 -4.36 -1.24 -1.72 121.20 117.33 3kmd s ILE 251 Ca 0.69 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 3kmd s ILE 251 Cb -0.33 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 3kmd s ILE 251 CO 0.39 -0.36 -0.08 -0.76 0.24 0.00 0.00 174.94 174.37 3kmd s LEU 252 N -3.49 3.12 -0.22 0.37 1.43 0.56 -1.39 118.68 119.07 3kmd s LEU 252 Ca 0.29 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 3kmd s LEU 252 Cb -0.00 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3kmd s LEU 252 CO 0.13 0.30 0.13 -0.89 0.23 0.00 0.00 176.35 176.25 3kmd s THR 253 N -0.94 5.23 -0.27 5.49 2.01 0.60 -1.55 115.64 126.20 3kmd s THR 253 Ca 0.16 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 3kmd s THR 253 Cb -0.11 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 3kmd s THR 253 CO 0.06 0.40 0.09 -0.63 -0.69 0.00 0.00 174.62 173.85 3kmd s ILE 254 N 0.74 4.33 -0.29 1.82 1.01 0.13 -1.67 121.20 127.28 3kmd s ILE 254 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3kmd s ILE 254 Cb -0.13 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3kmd s ILE 254 CO 0.02 0.22 0.16 -0.63 0.00 0.00 0.00 174.94 174.71 3kmd s ILE 255 N 1.60 4.89 -0.08 2.92 -1.09 0.18 -1.88 121.20 127.74 3kmd s ILE 255 Ca 0.05 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 3kmd s ILE 255 Cb -0.16 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 3kmd s ILE 255 CO 0.04 0.20 -0.15 0.42 -1.23 0.00 0.00 174.94 174.22 3kmd s THR 256 N 1.68 2.96 -0.26 2.92 -4.23 0.50 -1.41 115.64 117.80 3kmd s THR 256 Ca 0.06 -0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 59.64 3kmd s THR 256 Cb -0.16 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 3kmd s THR 256 CO 0.08 0.57 0.57 -0.22 -0.54 0.00 0.00 174.62 175.08 3kmd s LEU 257 N -0.33 4.06 0.16 4.79 2.96 -0.12 -0.84 118.68 129.37 3kmd s LEU 257 Ca 0.03 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 3kmd s LEU 257 Cb -0.13 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 3kmd s LEU 257 CO 0.02 -0.34 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.92 3kmd s GLU 258 N 2.41 1.28 -0.18 1.98 2.02 0.58 -0.31 118.70 126.48 3kmd s GLU 258 Ca 0.23 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.79 3kmd s GLU 258 Cb -0.16 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 3kmd s GLU 258 CO 0.09 0.28 -0.03 0.16 0.02 0.00 0.00 175.26 175.78 3kmd s ASP 259 N -2.62 4.68 0.00 -0.19 -4.77 -0.64 0.05 116.67 113.18 3kmd s ASP 259 Ca 0.15 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 3kmd s ASP 259 Cb -0.06 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 3kmd s ASP 259 CO 0.07 0.11 0.00 -1.20 0.70 0.00 0.00 175.17 174.84 3kmd n SER 260 N 3.96 0.00 0.34 2.11 7.64 -1.23 0.20 113.62 126.63 3kmd n SER 260 Ca -0.17 0.00 0.23 0.00 1.01 0.00 0.00 58.87 59.93 3kmd n SER 260 Cb 0.52 0.00 1.20 0.00 -1.01 0.00 0.00 64.21 64.92 3kmd n SER 260 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3kmd h SER 261 N 0.00 0.00 0.00 6.43 0.02 -1.95 -3.45 113.55 114.60 3kmd h SER 261 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kmd h SER 261 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kmd h SER 261 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3kmd n GLY 262 N -1.05 0.80 3.74 -3.77 0.00 0.52 -5.10 105.19 100.33 3kmd n GLY 262 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.23 4.28 -0.26 1.61 0.01 -1.11 -4.66 114.94 112.59 3kmd s ASN 263 Ca 0.00 2.03 -0.24 0.00 -0.71 0.00 0.00 52.86 53.93 3kmd s ASN 263 Cb 0.00 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 3kmd s ASN 263 CO 0.00 -2.19 0.83 -0.22 -1.51 0.00 0.00 177.10 174.01 3kmd s LEU 264 N -5.67 4.07 -0.20 0.60 0.20 -1.26 -1.61 118.68 114.81 3kmd s LEU 264 Ca 0.66 0.93 0.14 0.00 0.69 0.00 0.00 54.13 56.54 3kmd s LEU 264 Cb -0.21 -3.17 -0.22 0.00 -0.43 0.00 0.00 46.19 42.16 3kmd s LEU 264 CO 0.51 -0.56 0.01 0.18 -0.29 0.00 0.00 176.35 176.20 3kmd n LEU 265 N 6.11 0.62 -3.56 -0.68 4.77 0.57 -4.95 117.00 119.88 3kmd n LEU 265 Ca 0.05 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 3kmd n LEU 265 Cb 0.48 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3kmd n LEU 265 CO 0.49 0.56 0.86 -0.83 -1.33 0.00 0.00 177.39 177.13 3kmd s GLY 266 N -5.53 -0.37 -0.13 -0.72 0.00 -0.87 -4.20 107.32 95.49 3kmd s GLY 266 Ca -0.14 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 3kmd s GLY 266 CO 0.73 0.42 0.35 -1.60 0.00 0.00 0.00 173.10 173.00 3kmd s ARG 267 N -2.76 0.40 0.17 2.90 3.52 0.11 -0.95 118.95 122.34 3kmd s ARG 267 Ca 0.08 0.51 -0.05 0.00 -0.13 0.00 0.00 55.73 56.14 3kmd s ARG 267 Cb -0.01 0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3kmd s ARG 267 CO -0.06 -0.06 0.19 -0.80 -0.81 0.00 0.00 175.30 173.75 3kmd s ASN 268 N 0.32 0.15 0.16 -2.12 -0.87 -0.50 -0.62 114.94 111.46 3kmd s ASN 268 Ca -0.01 -1.11 -0.17 0.00 -1.57 0.00 0.00 52.86 49.99 3kmd s ASN 268 Cb -0.03 0.39 0.04 0.00 -0.02 0.00 0.00 41.25 41.62 3kmd s ASN 268 CO -0.01 -0.85 0.47 -0.94 -2.57 0.00 0.00 177.10 173.20 3kmd s SER 269 N -3.04 -0.28 0.03 -1.22 1.04 -1.26 -0.64 113.70 108.32 3kmd s SER 269 Ca 0.25 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 3kmd s SER 269 Cb 0.05 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.73 3kmd s SER 269 CO 0.04 -0.94 0.34 0.72 0.98 0.00 0.00 173.24 174.38 3kmd s PHE 270 N -3.83 -0.18 0.47 5.02 -0.71 -0.67 -4.99 117.98 113.10 3kmd s PHE 270 Ca 0.05 0.14 -0.20 0.00 -1.04 0.00 0.00 56.93 55.88 3kmd s PHE 270 Cb 0.00 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.86 3kmd s PHE 270 CO -0.08 -0.50 0.99 -2.00 -1.34 0.00 0.00 175.22 172.29 3kmd s GLU 271 N -2.22 4.00 -0.04 1.99 2.12 -0.37 -0.29 118.70 123.90 3kmd s GLU 271 Ca -0.07 1.18 0.02 0.00 0.36 0.00 0.00 54.97 56.47 3kmd s GLU 271 Cb -0.02 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.24 3kmd s GLU 271 CO -0.01 -0.24 -0.10 0.08 -0.54 0.00 0.00 175.26 174.46 3kmd s VAL 272 N -2.19 0.87 -0.21 3.70 1.01 -0.48 0.09 120.40 123.19 3kmd s VAL 272 Ca 0.63 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3kmd s VAL 272 Cb -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.51 3kmd s VAL 272 CO 0.19 0.28 -0.16 -0.60 0.00 0.00 0.00 175.10 174.81 3kmd s ARG 273 N 0.34 2.78 -0.24 2.72 3.52 -0.10 -3.71 118.95 124.26 3kmd s ARG 273 Ca -0.06 -0.98 -0.14 0.00 -0.13 0.00 0.00 55.73 54.42 3kmd s ARG 273 Cb -0.11 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 3kmd s ARG 273 CO 0.01 -0.32 0.31 0.08 -0.81 0.00 0.00 175.30 174.56 3kmd s VAL 274 N 1.25 5.25 0.27 7.11 1.01 -1.26 -1.59 120.40 132.43 3kmd s VAL 274 Ca 0.01 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 3kmd s VAL 274 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3kmd s VAL 274 CO -0.10 0.25 0.65 0.00 0.00 0.00 0.00 175.10 175.91 3kmd h ALA 276 N 2.07 0.41 -2.71 0.00 0.00 -1.96 -3.34 119.26 113.73 3kmd h ALA 276 Ca -0.21 -0.73 -0.61 0.00 0.00 0.00 0.00 54.91 53.36 3kmd h ALA 276 Cb 1.25 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 3kmd h ALA 276 CO 0.27 0.88 -0.72 0.00 0.00 0.00 0.00 179.25 179.68 3kmd h PRO 278 N 5.21 0.37 -0.16 0.00 0.11 -1.77 -0.94 132.00 134.82 3kmd h PRO 278 Ca 0.18 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kmd h PRO 278 Cb 0.79 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3kmd h PRO 278 CO 0.62 0.24 0.09 0.78 -0.21 0.00 0.00 178.00 179.52 3kmd h GLY 279 N 0.38 0.24 0.51 -0.55 0.00 -1.79 0.15 103.07 102.01 3kmd h GLY 279 Ca 0.29 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.56 3kmd h GLY 279 CO -0.30 0.10 -0.11 -0.09 0.00 0.00 0.00 176.54 176.15 3kmd h ARG 280 N 0.16 -0.10 -0.12 4.80 2.43 -1.68 -2.22 114.38 117.65 3kmd h ARG 280 Ca 0.06 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3kmd h ARG 280 Cb 0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3kmd h ARG 280 CO -0.01 -0.07 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.34 3kmd h ASP 281 N -0.10 0.46 -0.33 -3.80 3.32 -0.97 -1.75 116.42 113.26 3kmd h ASP 281 Ca 0.10 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3kmd h ASP 281 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3kmd h ASP 281 CO -0.23 0.95 0.15 -0.09 -1.72 0.00 0.00 179.24 178.30 3kmd h ARG 282 N 0.30 0.48 -0.58 3.56 2.43 -0.62 -1.80 114.38 118.15 3kmd h ARG 282 Ca -0.01 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3kmd h ARG 282 Cb 1.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3kmd h ARG 282 CO 0.10 0.46 0.11 0.00 -1.51 0.00 0.00 179.97 179.13 3kmd h ARG 283 N 0.39 0.91 0.13 0.20 3.08 -1.20 -0.90 114.38 116.99 3kmd h ARG 283 Ca 0.11 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3kmd h ARG 283 Cb 0.14 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kmd h ARG 283 CO -0.01 0.84 -0.06 1.15 -1.07 0.00 0.00 179.97 180.81 3kmd h THR 284 N 0.87 0.88 -0.18 2.04 2.02 -1.13 -0.35 112.91 117.05 3kmd h THR 284 Ca 0.18 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 3kmd h THR 284 Cb 0.36 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3kmd h THR 284 CO 0.00 0.01 -0.31 -0.33 0.37 0.00 0.00 175.52 175.26 3kmd h GLU 285 N -0.19 0.37 -0.52 6.66 5.08 -1.12 -0.80 114.58 124.07 3kmd h GLU 285 Ca -0.02 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3kmd h GLU 285 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kmd h GLU 285 CO 0.03 0.65 -0.07 0.93 -1.00 0.00 0.00 179.01 179.55 3kmd h GLU 286 N 0.32 0.96 -0.55 2.33 5.08 -1.03 -2.89 114.58 118.81 3kmd h GLU 286 Ca 0.04 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3kmd h GLU 286 Cb 0.71 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3kmd h GLU 286 CO 0.05 1.01 0.36 0.93 -1.00 0.00 0.00 179.01 180.36 3kmd h GLU 287 N 0.83 0.73 0.00 2.33 5.08 -0.65 -2.63 114.58 120.27 3kmd h GLU 287 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kmd h GLU 287 Cb 0.62 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kmd h GLU 287 CO 0.04 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 3kmd n ASN 288 N -4.70 0.57 0.19 1.42 5.03 -0.34 -1.28 115.26 116.15 3kmd n ASN 288 Ca 0.03 0.71 0.03 0.00 0.87 0.00 0.00 54.58 56.22 3kmd n ASN 288 Cb 0.02 -0.80 0.41 0.00 -1.02 0.00 0.00 39.78 38.40 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 0.03 -0.19 3.41 5.85 -1.26 -1.18 115.31 121.97 3kmd h LEU 289 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kmd h LEU 289 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kmd h LEU 289 CO 0.00 0.31 -0.03 0.54 -0.34 0.00 0.00 178.44 178.92 3kmd n ARG 290 N -4.20 0.90 0.00 1.25 5.12 -0.40 -5.15 116.66 114.17 3kmd n ARG 290 Ca -0.02 -0.19 0.06 0.00 -1.93 0.00 0.00 57.85 55.77 3kmd n ARG 290 Cb 0.33 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.18 3kmd n ARG 290 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33