#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxq s ARG 6 N 0.00 4.42 0.65 0.38 3.52 -1.26 -5.00 118.95 121.65 3kxq s ARG 6 Ca 0.00 1.72 -0.14 0.00 -0.13 0.00 0.00 55.73 57.18 3kxq s ARG 6 Cb 0.00 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3kxq s ARG 6 CO 0.00 -0.29 1.08 -2.14 -0.81 0.00 0.00 175.30 173.14 3kxq s PRO 7 N 1.36 2.99 -0.05 5.12 0.02 -1.26 -4.87 135.00 138.31 3kxq s PRO 7 Ca 0.58 1.23 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 3kxq s PRO 7 Cb -0.28 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.29 3kxq s PRO 7 CO 0.27 -1.08 0.06 0.12 -0.33 0.00 0.00 177.00 176.04 3kxq s PHE 8 N -2.54 0.11 -0.30 6.54 5.36 -0.13 -0.95 117.98 126.07 3kxq s PHE 8 Ca 0.64 0.19 -0.04 0.00 -0.96 0.00 0.00 56.93 56.76 3kxq s PHE 8 Cb -0.17 -0.52 0.04 0.00 -0.34 0.00 0.00 43.02 42.03 3kxq s PHE 8 CO 0.43 -0.22 0.03 0.42 -1.46 0.00 0.00 175.22 174.41 3kxq s ILE 9 N 2.16 3.33 -0.16 3.12 -1.09 0.08 -2.15 121.20 126.48 3kxq s ILE 9 Ca 0.05 -1.14 -0.04 0.00 -2.23 0.00 0.00 60.65 57.28 3kxq s ILE 9 Cb -0.12 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3kxq s ILE 9 CO -0.04 -0.04 -0.02 0.00 -1.23 0.00 0.00 174.94 173.62 3kxq s ALA 10 N 1.34 3.07 -0.14 9.38 0.00 -0.31 -0.81 121.76 134.29 3kxq s ALA 10 Ca -0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 3kxq s ALA 10 Cb -0.19 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 3kxq s ALA 10 CO -0.00 0.17 0.02 0.20 0.00 0.00 0.00 175.76 176.15 3kxq s GLY 11 N 0.42 1.84 -0.33 0.00 0.00 0.90 -0.45 107.32 109.71 3kxq s GLY 11 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 3kxq s GLY 11 CO 0.02 -0.18 0.05 0.21 0.00 0.00 0.00 173.10 173.21 3kxq s ASN 12 N -0.05 4.94 0.29 1.64 2.47 0.23 -0.26 114.94 124.20 3kxq s ASN 12 Ca 0.04 -1.61 0.25 0.00 0.42 0.00 0.00 52.86 51.96 3kxq s ASN 12 Cb -0.13 -1.72 1.01 0.00 -1.45 0.00 0.00 41.25 38.96 3kxq s ASN 12 CO 0.02 -0.35 1.75 -0.50 -3.72 0.00 0.00 177.10 174.30 3kxq h TRP 13 N 7.94 0.00 0.00 0.43 4.06 -1.71 -3.40 115.95 123.27 3kxq h TRP 13 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 3kxq h TRP 13 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3kxq h TRP 13 CO 0.58 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 177.09 3kxq n LYS 14 N -2.34 0.00 -2.21 0.49 5.02 -1.26 -2.81 118.16 115.05 3kxq n LYS 14 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3kxq n LYS 14 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 3kxq n LYS 14 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3kxq n MET 15 N 12.02 4.25 -3.82 1.97 1.56 -1.26 -4.37 117.12 127.47 3kxq n MET 15 Ca 0.00 -3.60 -0.13 0.00 -0.27 0.00 0.00 57.70 53.71 3kxq n MET 15 Cb 0.00 -2.73 -0.14 0.00 2.15 0.00 0.00 33.22 32.50 3kxq n MET 15 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 3kxq s ASN 16 N 0.36 -0.08 0.00 6.12 0.01 -1.12 -5.13 114.94 115.09 3kxq s ASN 16 Ca 0.46 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 3kxq s ASN 16 Cb 0.14 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.97 3kxq s ASN 16 CO -0.05 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 3kxq n GLY 17 N 3.30 3.71 1.55 0.66 0.00 -1.26 -4.45 105.19 108.70 3kxq n GLY 17 Ca -0.16 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 3kxq n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kxq n THR 18 N 0.00 0.00 -0.27 2.61 -2.24 -1.26 -4.82 114.28 108.30 3kxq n THR 18 Ca 0.00 -1.12 0.26 0.00 -2.27 0.00 0.00 64.05 60.92 3kxq n THR 18 Cb 0.00 0.44 0.60 0.00 -2.10 0.00 0.00 70.33 69.27 3kxq n THR 18 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kxq h GLY 19 N 0.80 0.63 2.00 3.38 0.00 -1.97 0.93 103.07 108.84 3kxq h GLY 19 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kxq h GLY 19 CO 0.22 -0.05 0.00 0.83 0.00 0.00 0.00 176.54 177.54 3kxq h GLU 20 N 0.23 0.00 -0.01 4.80 3.07 -2.05 -2.70 114.58 117.92 3kxq h GLU 20 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3kxq h GLU 20 Cb 1.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.52 3kxq h GLU 20 CO -0.15 0.00 -0.11 0.43 -1.40 0.00 0.00 179.01 177.78 3kxq n SER 21 N -2.74 1.45 -0.02 1.42 7.64 0.32 -4.32 113.62 117.37 3kxq n SER 21 Ca -0.01 -1.32 -0.02 0.00 1.01 0.00 0.00 58.87 58.53 3kxq n SER 21 Cb 0.14 0.07 0.24 0.00 -1.01 0.00 0.00 64.21 63.65 3kxq n SER 21 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kxq h LEU 22 N 2.11 0.55 -0.62 -3.43 3.38 -1.58 -1.92 115.31 113.80 3kxq h LEU 22 Ca 0.00 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kxq h LEU 22 Cb 0.55 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3kxq h LEU 22 CO 0.00 0.67 0.35 1.23 0.09 0.00 0.00 178.44 180.78 3kxq h GLY 23 N 0.92 0.90 1.29 0.83 0.00 -1.82 -0.20 103.07 104.99 3kxq h GLY 23 Ca 0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3kxq h GLY 23 CO 0.02 0.18 -0.14 -2.09 0.00 0.00 0.00 176.54 174.51 3kxq h GLU 24 N 0.67 0.83 -0.35 4.80 4.57 -1.67 -1.50 114.58 121.93 3kxq h GLU 24 Ca 0.27 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3kxq h GLU 24 Cb 0.12 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3kxq h GLU 24 CO -0.15 0.92 0.18 1.25 -1.18 0.00 0.00 179.01 180.02 3kxq h LEU 25 N 0.74 0.45 -1.22 1.64 5.85 -1.05 -1.51 115.31 120.21 3kxq h LEU 25 Ca 0.12 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3kxq h LEU 25 Cb 0.64 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3kxq h LEU 25 CO 0.04 0.44 0.58 -0.09 -0.34 0.00 0.00 178.44 179.07 3kxq h ARG 26 N 0.44 0.81 -0.32 1.25 2.43 -0.72 -1.58 114.38 116.68 3kxq h ARG 26 Ca 0.12 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3kxq h ARG 26 Cb 0.09 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3kxq h ARG 26 CO -0.02 0.53 -0.21 0.00 -1.51 0.00 0.00 179.97 178.77 3kxq h ALA 27 N 1.57 1.04 0.02 2.80 0.00 -0.43 0.11 119.26 124.37 3kxq h ALA 27 Ca 0.43 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kxq h ALA 27 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kxq h ALA 27 CO -0.19 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.45 3kxq h ILE 28 N 0.54 1.17 -0.86 0.00 2.04 -0.63 -2.35 117.51 117.42 3kxq h ILE 28 Ca 0.08 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3kxq h ILE 28 Cb 0.65 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 3kxq h ILE 28 CO 0.05 0.15 0.55 0.00 0.00 0.00 0.00 178.15 178.90 3kxq h ALA 29 N 0.70 1.16 0.00 1.87 0.00 -0.91 -2.31 119.26 119.76 3kxq h ALA 29 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kxq h ALA 29 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kxq h ALA 29 CO 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 3kxq h ALA 30 N 1.38 1.14 0.00 0.00 0.00 -0.74 -0.44 119.26 120.60 3kxq h ALA 30 Ca 0.36 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kxq h ALA 30 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kxq h ALA 30 CO -0.14 0.54 -0.41 0.78 0.00 0.00 0.00 179.25 180.02 3kxq h GLY 31 N 1.61 0.00 1.04 0.00 0.00 -0.86 -3.09 103.07 101.77 3kxq h GLY 31 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 3kxq h GLY 31 CO 0.06 0.00 -1.68 -2.22 0.00 0.00 0.00 176.54 172.70 3kxq h ILE 32 N 0.00 0.95 0.00 2.60 1.08 -1.27 -3.51 117.51 117.36 3kxq h ILE 32 Ca -0.00 -2.68 -0.42 0.00 -0.39 0.00 0.00 64.86 61.36 3kxq h ILE 32 Cb 0.89 2.60 0.06 0.00 -3.07 0.00 0.00 36.82 37.30 3kxq h ILE 32 CO 0.05 0.74 1.78 -0.24 -0.69 0.00 0.00 178.15 179.80 3kxq n SER 33 N -3.33 1.95 0.00 1.72 2.88 -0.20 -5.03 113.62 111.62 3kxq n SER 33 Ca -0.20 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 3kxq n SER 33 Cb 1.04 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 3kxq n SER 33 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kxq n ARG 38 N 6.26 0.00 0.00 -1.46 3.00 -1.26 -5.07 116.66 118.12 3kxq n ARG 38 Ca 0.36 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.32 3kxq n ARG 38 Cb 0.26 -0.00 0.29 0.00 0.00 0.00 0.00 32.46 33.00 3kxq n ARG 38 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 3kxq n LEU 39 N -2.37 0.97 -4.19 0.55 -0.00 -1.26 -4.94 117.00 105.76 3kxq n LEU 39 Ca 0.00 -0.25 -0.11 0.00 -0.00 0.00 0.00 56.01 55.65 3kxq n LEU 39 Cb 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 43.42 43.18 3kxq n LEU 39 CO 0.00 0.19 -0.29 0.72 -0.00 0.00 0.00 177.39 178.01 3kxq s PHE 40 N -2.65 1.04 0.09 1.47 -0.12 -1.26 -4.08 117.98 112.46 3kxq s PHE 40 Ca 0.20 -1.22 0.05 0.00 -0.05 0.00 0.00 56.93 55.90 3kxq s PHE 40 Cb 0.19 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3kxq s PHE 40 CO 0.59 -0.47 0.02 -1.21 -0.05 0.00 0.00 175.22 174.10 3kxq s GLU 41 N -4.04 2.62 0.00 1.99 2.02 -0.13 -4.98 118.70 116.18 3kxq s GLU 41 Ca 0.28 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.51 3kxq s GLU 41 Cb 0.07 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 3kxq s GLU 41 CO 0.05 0.54 -0.18 0.00 0.02 0.00 0.00 175.26 175.70 3kxq s ALA 42 N -1.34 1.47 -0.01 5.21 0.00 -1.26 -0.74 121.76 125.08 3kxq s ALA 42 Ca 0.27 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3kxq s ALA 42 Cb -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 3kxq s ALA 42 CO 0.19 0.35 -0.07 -1.17 0.00 0.00 0.00 175.76 175.06 3kxq s LEU 43 N -0.60 1.90 -0.13 0.00 2.96 0.01 -0.99 118.68 121.82 3kxq s LEU 43 Ca 0.06 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3kxq s LEU 43 Cb -0.07 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.24 3kxq s LEU 43 CO -0.00 0.07 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.26 3kxq s ILE 44 N 0.01 1.93 -0.45 6.68 -1.09 -0.51 -0.07 121.20 127.71 3kxq s ILE 44 Ca 0.00 -0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 57.38 3kxq s ILE 44 Cb -0.05 -1.71 0.06 0.00 -1.58 0.00 0.00 42.46 39.18 3kxq s ILE 44 CO -0.00 0.53 0.35 0.00 -1.23 0.00 0.00 174.94 174.59 3kxq s VAL 46 N 1.61 4.41 0.67 0.00 -7.23 -0.84 -2.11 120.40 116.90 3kxq s VAL 46 Ca 0.04 -0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 3kxq s VAL 46 Cb -0.23 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.14 3kxq s VAL 46 CO 0.06 -0.29 1.28 -2.84 -0.31 0.00 0.00 175.10 173.00 3kxq s PRO 47 N -4.26 2.44 0.47 4.82 0.02 -1.26 -4.45 135.00 132.76 3kxq s PRO 47 Ca 0.43 2.01 0.14 0.00 0.02 0.00 0.00 61.00 63.60 3kxq s PRO 47 Cb -0.10 -1.84 1.10 0.00 0.02 0.00 0.00 34.50 33.69 3kxq s PRO 47 CO 0.33 -1.67 2.06 0.00 -0.33 0.00 0.00 177.00 177.39 3kxq h ALA 48 N 0.35 1.97 0.00 -1.55 0.00 -1.95 0.07 119.26 118.15 3kxq h ALA 48 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3kxq h ALA 48 Cb 1.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kxq h ALA 48 CO 0.52 -0.03 -0.04 1.79 0.00 0.00 0.00 179.25 181.49 3kxq h THR 49 N 0.27 0.76 0.00 0.00 1.35 -1.95 -3.07 112.91 110.27 3kxq h THR 49 Ca 0.14 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3kxq h THR 49 Cb 0.22 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3kxq h THR 49 CO -0.03 0.04 -1.23 -0.11 -0.25 0.00 0.00 175.52 173.94 3kxq n LEU 50 N -4.10 0.71 -0.08 3.87 7.94 -0.01 -4.69 117.00 120.65 3kxq n LEU 50 Ca -0.03 -0.33 -0.07 0.00 -1.11 0.00 0.00 56.01 54.47 3kxq n LEU 50 Cb 0.13 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3kxq n LEU 50 CO 0.31 0.17 0.88 0.25 -1.11 0.00 0.00 177.39 177.89 3kxq h LEU 51 N 0.00 -0.03 -0.77 -1.96 5.85 -1.39 -0.29 115.31 116.72 3kxq h LEU 51 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kxq h LEU 51 Cb 0.64 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3kxq h LEU 51 CO 0.00 0.02 0.50 -1.28 -0.34 0.00 0.00 178.44 177.34 3kxq h SER 52 N 0.14 0.86 0.04 1.25 0.87 -1.81 -0.46 113.55 114.44 3kxq h SER 52 Ca 0.14 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 3kxq h SER 52 Cb 0.16 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3kxq h SER 52 CO -0.20 0.61 -0.51 0.03 -0.53 0.00 0.00 176.83 176.23 3kxq h ARG 53 N 1.01 0.52 -0.60 2.24 3.08 -1.78 -1.06 114.38 117.79 3kxq h ARG 53 Ca 0.29 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kxq h ARG 53 Cb -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3kxq h ARG 53 CO -0.08 0.91 0.39 0.00 -1.07 0.00 0.00 179.97 180.12 3kxq h ALA 54 N 1.04 0.76 -0.50 0.04 0.00 -0.69 -2.78 119.26 117.13 3kxq h ALA 54 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3kxq h ALA 54 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3kxq h ALA 54 CO 0.09 0.21 -0.06 0.35 0.00 0.00 0.00 179.25 179.85 3kxq h PHE 55 N 0.81 0.97 -0.71 0.00 3.57 -0.76 -0.79 116.94 120.03 3kxq h PHE 55 Ca 0.22 -0.17 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3kxq h PHE 55 Cb -0.07 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 3kxq h PHE 55 CO -0.03 0.91 0.47 -0.44 -2.23 0.00 0.00 178.31 176.98 3kxq h ASP 56 N 0.81 0.63 0.37 0.41 3.32 -0.94 0.57 116.42 121.59 3kxq h ASP 56 Ca 0.14 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 3kxq h ASP 56 Cb 0.56 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3kxq h ASP 56 CO 0.03 0.40 -1.86 2.30 -1.72 0.00 0.00 179.24 178.39 3kxq n ILE 57 N -4.48 1.43 0.28 0.35 -5.35 -1.07 -4.59 119.36 105.92 3kxq n ILE 57 Ca 0.10 -0.79 0.03 0.00 -0.27 0.00 0.00 62.75 61.83 3kxq n ILE 57 Cb 0.24 -0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 37.33 3kxq n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3kxq n LEU 58 N -2.91 0.44 -0.17 7.28 4.32 -0.33 -4.77 117.00 120.87 3kxq n LEU 58 Ca -0.20 -0.56 0.16 0.00 -0.02 0.00 0.00 56.01 55.38 3kxq n LEU 58 Cb 1.03 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 43.34 3kxq n LEU 58 CO 0.44 0.10 1.21 1.23 -1.22 0.00 0.00 177.39 179.15 3kxq h GLY 59 N 1.38 0.71 -1.16 -0.72 0.00 -0.02 0.45 103.07 103.71 3kxq h GLY 59 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kxq h GLY 59 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3kxq n GLY 60 N -1.52 0.55 3.61 4.60 0.00 -1.26 -4.96 105.19 106.20 3kxq n GLY 60 Ca 0.15 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 3kxq n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kxq n GLU 61 N 0.47 0.65 0.06 1.61 0.28 0.16 -5.05 120.64 118.81 3kxq n GLU 61 Ca 0.13 -2.93 -0.18 0.00 -0.16 0.00 0.00 57.16 54.02 3kxq n GLU 61 Cb 0.30 -0.16 -0.09 0.00 1.43 0.00 0.00 31.44 32.93 3kxq n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3kxq h ASN 62 N 0.15 0.74 -2.66 -1.84 2.35 -1.89 -3.46 115.58 108.98 3kxq h ASN 62 Ca -0.26 -0.61 -0.60 0.00 -0.55 0.00 0.00 56.30 54.28 3kxq h ASN 62 Cb 1.16 -0.23 0.12 0.00 0.05 0.00 0.00 38.32 39.42 3kxq h ASN 62 CO 0.38 1.42 0.10 0.00 -1.65 0.00 0.00 177.43 177.67 3kxq n ILE 63 N -3.79 2.11 -3.55 2.81 3.06 -1.26 -4.83 119.36 113.91 3kxq n ILE 63 Ca -0.10 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.33 3kxq n ILE 63 Cb 0.89 -1.02 -0.05 0.00 0.54 0.00 0.00 39.64 40.00 3kxq n ILE 63 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3kxq s LEU 64 N 0.24 4.24 -0.04 9.51 1.43 -0.16 -4.97 118.68 128.93 3kxq s LEU 64 Ca 0.60 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 3kxq s LEU 64 Cb -0.65 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 3kxq s LEU 64 CO 0.59 0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 176.23 3kxq s LEU 65 N -2.60 2.39 0.14 1.79 1.43 -1.26 -1.42 118.68 119.16 3kxq s LEU 65 Ca 0.42 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3kxq s LEU 65 Cb -0.12 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3kxq s LEU 65 CO 0.22 0.33 0.06 -0.83 0.23 0.00 0.00 176.35 176.35 3kxq s GLY 66 N -0.63 1.04 0.51 -3.19 0.00 -0.37 -0.89 107.32 103.79 3kxq s GLY 66 Ca 0.10 -1.50 0.09 0.00 0.00 0.00 0.00 44.72 43.41 3kxq s GLY 66 CO 0.00 -1.38 0.70 -0.32 0.00 0.00 0.00 173.10 172.10 3kxq s GLY 67 N -3.07 1.82 0.00 0.20 0.00 -0.25 -1.98 107.32 104.04 3kxq s GLY 67 Ca 0.25 -1.95 0.12 0.00 0.00 0.00 0.00 44.72 43.13 3kxq s GLY 67 CO 0.03 -1.60 0.67 -1.06 0.00 0.00 0.00 173.10 171.13 3kxq n GLN 68 N -2.09 2.15 0.00 2.90 6.02 -1.26 -1.54 117.38 123.55 3kxq n GLN 68 Ca 0.13 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 3kxq n GLN 68 Cb 0.61 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3kxq n GLN 68 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kxq n ASN 69 N -0.36 0.00 -4.00 1.08 5.15 -0.92 -4.53 115.26 111.68 3kxq n ASN 69 Ca 0.04 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.93 3kxq n ASN 69 Cb 0.24 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.42 3kxq n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kxq s HIS 71 N -4.01 2.98 -0.32 0.00 2.46 -0.27 -4.86 115.29 111.27 3kxq s HIS 71 Ca 0.22 0.52 0.20 0.00 0.47 0.00 0.00 55.06 56.47 3kxq s HIS 71 Cb 0.03 -3.16 0.23 0.00 -0.13 0.00 0.00 32.58 29.55 3kxq s HIS 71 CO 0.04 -1.36 1.55 0.27 -2.47 0.00 0.00 174.74 172.76 3kxq h PHE 72 N -0.59 0.00 -1.91 3.88 -5.15 -1.90 -3.42 116.94 107.86 3kxq h PHE 72 Ca -0.45 0.00 -0.47 0.00 -0.20 0.00 0.00 57.97 56.86 3kxq h PHE 72 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.46 3kxq h PHE 72 CO 0.36 0.20 -0.41 -0.51 -2.00 0.00 0.00 178.31 175.96 3kxq s ASP 73 N -6.31 5.76 0.22 -0.68 1.11 -1.26 -4.54 116.67 110.97 3kxq s ASP 73 Ca 0.06 -0.25 0.01 0.00 0.18 0.00 0.00 52.55 52.55 3kxq s ASP 73 Cb 0.06 -1.26 0.19 0.00 1.07 0.00 0.00 42.92 42.99 3kxq s ASP 73 CO 0.70 -0.32 1.54 0.44 1.18 0.00 0.00 175.17 178.71 3kxq h ASP 74 N 1.10 0.41 -5.18 0.27 3.32 -1.97 -3.42 116.42 110.95 3kxq h ASP 74 Ca -0.47 -0.23 0.21 0.00 0.02 0.00 0.00 57.03 56.57 3kxq h ASP 74 Cb 1.25 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3kxq h ASP 74 CO 0.56 0.91 0.61 -0.72 -1.72 0.00 0.00 179.24 178.88 3kxq s TYR 75 N -3.85 -0.15 -5.00 4.55 -0.85 -1.26 -4.72 117.35 106.08 3kxq s TYR 75 Ca -0.05 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 3kxq s TYR 75 Cb 0.12 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.04 3kxq s TYR 75 CO 0.82 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 174.70 3kxq n GLY 76 N -0.39 0.47 2.83 5.49 0.00 -1.26 -4.97 105.19 107.35 3kxq n GLY 76 Ca -0.07 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3kxq n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kxq n PRO 77 N 0.00 3.21 -3.49 1.61 -0.04 -1.26 -4.74 135.00 130.29 3kxq n PRO 77 Ca 0.00 -3.05 -0.27 0.00 -0.04 0.00 0.00 63.50 60.14 3kxq n PRO 77 Cb 0.00 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.24 3kxq n PRO 77 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kxq n TYR 78 N 5.16 1.20 -1.64 0.54 4.01 -1.26 -5.10 117.16 120.08 3kxq n TYR 78 Ca 0.46 -3.80 -0.50 0.00 -0.16 0.00 0.00 57.90 53.91 3kxq n TYR 78 Cb 0.38 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3kxq n TYR 78 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3kxq n THR 79 N 1.91 0.06 -0.95 -0.72 -1.04 -1.26 -1.51 114.28 110.76 3kxq n THR 79 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3kxq n THR 79 Cb 0.44 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 3kxq n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kxq n GLY 80 N 3.11 0.63 3.83 3.41 0.00 -1.26 -5.04 105.19 109.88 3kxq n GLY 80 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3kxq n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxq s ASP 81 N -2.44 5.69 -0.09 1.61 1.01 -0.57 -5.11 116.67 116.76 3kxq s ASP 81 Ca 0.00 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.22 3kxq s ASP 81 Cb 0.00 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.39 3kxq s ASP 81 CO 0.00 0.06 -0.22 -0.63 0.21 0.00 0.00 175.17 174.58 3kxq s ILE 82 N -1.78 2.23 0.49 0.77 -1.09 -1.26 -4.99 121.20 115.57 3kxq s ILE 82 Ca 0.32 -0.97 -0.08 0.00 -2.23 0.00 0.00 60.65 57.69 3kxq s ILE 82 Cb -0.10 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 3kxq s ILE 82 CO 0.24 0.56 0.83 -0.94 -1.23 0.00 0.00 174.94 174.40 3kxq s SER 83 N 0.15 6.32 0.44 3.58 1.04 -1.26 -1.11 113.70 122.86 3kxq s SER 83 Ca -0.12 1.07 0.11 0.00 0.48 0.00 0.00 55.95 57.49 3kxq s SER 83 Cb -0.16 -2.31 0.97 0.00 0.10 0.00 0.00 66.02 64.62 3kxq s SER 83 CO 0.07 -0.59 2.03 0.00 0.98 0.00 0.00 173.24 175.73 3kxq h ALA 84 N 0.38 1.73 -0.38 5.32 0.00 -1.81 -2.14 119.26 122.37 3kxq h ALA 84 Ca -0.46 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3kxq h ALA 84 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kxq h ALA 84 CO 0.62 0.21 -0.27 0.74 0.00 0.00 0.00 179.25 180.55 3kxq h PHE 85 N 0.23 0.91 -0.62 0.00 0.04 -1.88 -1.10 116.94 114.52 3kxq h PHE 85 Ca 0.06 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 3kxq h PHE 85 Cb 0.13 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3kxq h PHE 85 CO 0.00 0.97 0.30 0.52 -0.60 0.00 0.00 178.31 179.50 3kxq h MET 86 N 0.68 0.89 0.04 1.51 2.86 -1.76 -1.07 114.93 118.07 3kxq h MET 86 Ca 0.08 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kxq h MET 86 Cb 0.79 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3kxq h MET 86 CO 0.07 0.71 -0.02 -0.07 1.06 0.00 0.00 176.91 178.66 3kxq h LEU 87 N 0.85 -0.05 -0.36 1.22 3.38 -1.12 -1.89 115.31 117.35 3kxq h LEU 87 Ca 0.21 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3kxq h LEU 87 Cb 0.11 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kxq h LEU 87 CO -0.03 0.03 0.17 0.50 0.09 0.00 0.00 178.44 179.21 3kxq h LYS 88 N -0.12 0.35 0.00 1.13 1.63 -1.13 -1.05 116.57 117.38 3kxq h LYS 88 Ca -0.01 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 3kxq h LYS 88 Cb 0.10 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3kxq h LYS 88 CO 0.01 0.23 -0.25 1.49 -3.45 0.00 0.00 179.45 177.49 3kxq h GLU 89 N 0.36 0.00 0.00 1.90 4.22 -1.12 -1.77 114.58 118.17 3kxq h GLU 89 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 3kxq h GLU 89 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kxq h GLU 89 CO -0.11 0.25 0.00 0.00 -2.18 0.00 0.00 179.01 176.97 3kxq h ALA 90 N 1.75 1.00 0.00 2.92 0.00 -0.98 -3.47 119.26 120.49 3kxq h ALA 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxq h ALA 90 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kxq h ALA 90 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3kxq n GLY 91 N 1.22 1.25 3.77 0.00 0.00 -0.66 -3.79 105.19 106.98 3kxq n GLY 91 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3kxq n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 92 N -1.93 3.19 -0.36 4.61 0.00 -0.46 -4.70 121.76 122.10 3kxq s ALA 92 Ca 0.00 0.79 0.11 0.00 0.00 0.00 0.00 51.96 52.87 3kxq s ALA 92 Cb 0.00 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 3kxq s ALA 92 CO 0.00 -0.24 0.41 -1.13 0.00 0.00 0.00 175.76 174.80 3kxq n SER 93 N 0.33 1.12 -4.12 0.00 3.41 -0.07 -4.24 113.62 110.05 3kxq n SER 93 Ca 0.03 -0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 58.01 3kxq n SER 93 Cb 0.48 1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 65.50 3kxq n SER 93 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kxq s HIS 94 N -2.31 0.77 -0.10 7.33 3.76 -1.22 -1.12 115.29 122.40 3kxq s HIS 94 Ca 0.01 -0.79 -0.05 0.00 -0.15 0.00 0.00 55.06 54.08 3kxq s HIS 94 Cb 0.08 -0.46 0.05 0.00 1.11 0.00 0.00 32.58 33.36 3kxq s HIS 94 CO 0.47 -0.15 0.25 0.54 -0.85 0.00 0.00 174.74 174.99 3kxq s VAL 95 N -2.92 -0.04 0.06 -0.90 0.11 -0.46 -1.09 120.40 115.16 3kxq s VAL 95 Ca 0.04 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.93 3kxq s VAL 95 Cb 0.01 -0.38 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 3kxq s VAL 95 CO -0.04 0.06 1.25 -0.63 -3.33 0.00 0.00 175.10 172.41 3kxq s ILE 96 N 1.23 3.90 -0.03 7.04 1.01 -0.59 -0.34 121.20 133.42 3kxq s ILE 96 Ca -0.09 1.35 0.02 0.00 0.00 0.00 0.00 60.65 61.93 3kxq s ILE 96 Cb -0.10 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3kxq s ILE 96 CO -0.08 0.09 -0.07 -0.63 0.00 0.00 0.00 174.94 174.24 3kxq s ILE 97 N 1.26 0.65 -0.38 2.92 1.01 -0.06 -2.16 121.20 124.43 3kxq s ILE 97 Ca 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3kxq s ILE 97 Cb -0.30 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.57 3kxq s ILE 97 CO 0.29 0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3kxq n GLY 98 N 3.40 0.32 3.76 6.18 0.00 -1.26 -1.42 105.19 116.17 3kxq n GLY 98 Ca -0.19 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3kxq n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kxq n HIS 99 N -3.74 2.70 -0.04 1.61 -0.00 -1.26 -4.40 115.22 110.09 3kxq n HIS 99 Ca -0.05 0.44 0.23 0.00 0.46 0.00 0.00 57.72 58.79 3kxq n HIS 99 Cb 0.44 -2.46 0.71 0.00 -0.12 0.00 0.00 29.99 28.56 3kxq n HIS 99 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3kxq h SER 100 N 2.26 0.00 0.51 0.26 4.64 -1.94 0.42 113.55 119.70 3kxq h SER 100 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 3kxq h SER 100 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kxq h SER 100 CO 0.61 0.00 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.10 3kxq h GLU 101 N 0.00 0.00 0.00 4.77 5.08 -2.00 -2.85 114.58 119.58 3kxq h GLU 101 Ca 0.29 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.29 3kxq h GLU 101 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 3kxq h GLU 101 CO -0.00 0.14 -2.38 0.54 -1.00 0.00 0.00 179.01 176.30 3kxq n ARG 102 N -3.54 0.73 -0.33 2.33 1.74 0.02 -3.41 116.66 114.20 3kxq n ARG 102 Ca -0.01 0.05 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 3kxq n ARG 102 Cb 0.28 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.31 3kxq n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kxq h ARG 103 N 0.00 1.18 0.12 5.56 3.08 -1.20 -0.73 114.38 122.39 3kxq h ARG 103 Ca -0.54 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 3kxq h ARG 103 Cb 2.07 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.86 3kxq h ARG 103 CO -0.02 0.80 -0.06 1.79 -1.07 0.00 0.00 179.97 181.41 3kxq h THR 104 N 1.21 0.00 -0.61 2.04 1.35 -1.71 -2.34 112.91 112.84 3kxq h THR 104 Ca 0.32 -0.12 -0.07 0.00 -0.55 0.00 0.00 66.41 65.99 3kxq h THR 104 Cb -0.11 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.28 3kxq h THR 104 CO -0.07 0.00 0.09 0.58 -0.25 0.00 0.00 175.52 175.87 3kxq h VAL 105 N -0.28 1.25 -0.35 6.82 2.07 -1.59 -2.98 116.25 121.19 3kxq h VAL 105 Ca -0.02 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3kxq h VAL 105 Cb 0.12 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3kxq h VAL 105 CO 0.03 0.37 0.00 -1.22 0.02 0.00 0.00 177.57 176.76 3kxq n TYR 106 N -4.22 0.45 -3.82 1.57 4.01 -0.29 -4.99 117.16 109.88 3kxq n TYR 106 Ca 0.04 -0.27 -0.24 0.00 -0.16 0.00 0.00 57.90 57.27 3kxq n TYR 106 Cb 0.28 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 3kxq n TYR 106 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kxq n GLN 107 N 1.26 -4.40 -2.47 -0.72 1.13 -0.93 -4.87 117.38 106.38 3kxq n GLN 107 Ca 0.17 0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 55.35 3kxq n GLN 107 Cb 0.54 -5.00 -0.03 0.00 0.11 0.00 0.00 30.24 25.87 3kxq n GLN 107 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kxq s GLU 108 N -6.26 3.30 0.98 -1.09 2.02 -0.94 -5.00 118.70 111.70 3kxq s GLU 108 Ca 0.10 0.22 -0.12 0.00 0.02 0.00 0.00 54.97 55.18 3kxq s GLU 108 Cb -0.05 -4.12 0.18 0.00 0.10 0.00 0.00 34.13 30.23 3kxq s GLU 108 CO 0.84 -1.97 1.09 -1.54 0.02 0.00 0.00 175.26 173.71 3kxq s SER 109 N 4.03 2.81 0.37 -0.19 1.04 -1.26 -4.64 113.70 115.86 3kxq s SER 109 Ca 0.46 1.23 0.06 0.00 0.48 0.00 0.00 55.95 58.18 3kxq s SER 109 Cb -0.09 -1.90 0.75 0.00 0.10 0.00 0.00 66.02 64.88 3kxq s SER 109 CO 0.22 -3.02 1.98 0.44 0.98 0.00 0.00 173.24 173.85 3kxq h ASP 110 N -1.81 0.64 -0.51 7.02 3.32 -1.94 0.02 116.42 123.16 3kxq h ASP 110 Ca -0.53 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 3kxq h ASP 110 Cb 1.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3kxq h ASP 110 CO 0.57 0.43 -0.02 0.00 -1.72 0.00 0.00 179.24 178.50 3kxq h ALA 111 N 1.63 0.68 -0.32 3.45 0.00 -1.93 0.59 119.26 123.36 3kxq h ALA 111 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kxq h ALA 111 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kxq h ALA 111 CO -0.08 0.52 0.13 0.82 0.00 0.00 0.00 179.25 180.64 3kxq h ILE 112 N 0.77 1.18 -0.34 0.00 2.04 -1.80 -1.74 117.51 117.62 3kxq h ILE 112 Ca 0.14 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kxq h ILE 112 Cb 0.55 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3kxq h ILE 112 CO 0.03 0.19 0.22 0.58 0.00 0.00 0.00 178.15 179.18 3kxq h VAL 113 N 0.37 1.08 -0.61 1.67 2.07 -0.79 -1.93 116.25 118.11 3kxq h VAL 113 Ca 0.11 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3kxq h VAL 113 Cb 0.18 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3kxq h VAL 113 CO -0.01 0.08 0.23 -0.09 0.02 0.00 0.00 177.57 177.81 3kxq h ARG 114 N 0.46 0.40 -0.47 1.57 2.43 -0.65 -0.65 114.38 117.47 3kxq h ARG 114 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3kxq h ARG 114 Cb -0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3kxq h ARG 114 CO -0.03 0.27 0.03 0.00 -1.51 0.00 0.00 179.97 178.73 3kxq h ALA 115 N 1.41 1.17 -0.33 2.80 0.00 -1.01 -0.89 119.26 122.42 3kxq h ALA 115 Ca 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kxq h ALA 115 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kxq h ALA 115 CO -0.30 0.55 0.10 0.87 0.00 0.00 0.00 179.25 180.47 3kxq h LYS 116 N 0.72 0.51 -0.39 0.00 1.57 -0.74 -1.76 116.57 116.48 3kxq h LYS 116 Ca 0.15 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3kxq h LYS 116 Cb 0.40 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3kxq h LYS 116 CO 0.01 0.55 0.13 0.28 -0.57 0.00 0.00 179.45 179.85 3kxq h VAL 117 N 0.37 0.87 -0.80 0.50 2.07 -0.74 -1.11 116.25 117.42 3kxq h VAL 117 Ca 0.11 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3kxq h VAL 117 Cb 0.25 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3kxq h VAL 117 CO -0.00 0.05 0.45 1.56 0.02 0.00 0.00 177.57 179.65 3kxq h GLN 118 N 0.29 0.74 -0.73 1.57 4.20 -1.01 -0.46 115.11 119.71 3kxq h GLN 118 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3kxq h GLN 118 Cb 0.17 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3kxq h GLN 118 CO -0.19 0.49 0.32 0.00 -0.67 0.00 0.00 178.83 178.78 3kxq h ALA 119 N 1.45 0.95 -0.53 3.87 0.00 -0.79 -2.17 119.26 122.04 3kxq h ALA 119 Ca 0.39 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kxq h ALA 119 Cb 0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kxq h ALA 119 CO -0.25 0.55 0.29 0.00 0.00 0.00 0.00 179.25 179.84 3kxq h ALA 120 N 1.16 0.68 -0.42 0.00 0.00 -0.54 -2.00 119.26 118.14 3kxq h ALA 120 Ca 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3kxq h ALA 120 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kxq h ALA 120 CO -0.02 -0.03 -0.07 -1.49 0.00 0.00 0.00 179.25 177.63 3kxq h TRP 121 N 0.57 0.77 -0.55 0.00 6.55 -0.84 -0.55 115.95 121.90 3kxq h TRP 121 Ca 0.22 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.94 3kxq h TRP 121 Cb 0.09 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 3kxq h TRP 121 CO -0.08 0.76 0.34 0.00 -1.05 0.00 0.00 178.44 178.41 3kxq h ARG 122 N 0.66 0.73 -0.01 0.49 3.08 -0.73 -1.16 114.38 117.44 3kxq h ARG 122 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kxq h ARG 122 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kxq h ARG 122 CO 0.03 0.50 -0.06 0.00 -1.07 0.00 0.00 179.97 179.36 3kxq n ALA 123 N -2.45 2.72 -1.44 0.04 0.00 -0.93 -4.94 120.51 113.51 3kxq n ALA 123 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 53.13 3kxq n ALA 123 Cb 0.06 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kxq n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxq n GLY 124 N 1.19 0.38 3.87 0.00 0.00 -0.44 -4.87 105.19 105.32 3kxq n GLY 124 Ca 0.18 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3kxq n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxq s LEU 125 N -0.06 4.32 -0.08 0.99 1.43 -0.28 -4.96 118.68 120.03 3kxq s LEU 125 Ca 0.00 0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 53.68 3kxq s LEU 125 Cb 0.00 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 3kxq s LEU 125 CO 0.00 0.12 0.85 -0.69 0.23 0.00 0.00 176.35 176.85 3kxq s VAL 126 N -1.49 4.92 -0.21 -1.59 1.01 -0.28 -4.02 120.40 118.75 3kxq s VAL 126 Ca 0.36 1.73 -0.21 0.00 0.00 0.00 0.00 61.98 63.87 3kxq s VAL 126 Cb -0.14 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3kxq s VAL 126 CO 0.19 0.14 0.63 0.00 0.00 0.00 0.00 175.10 176.06 3kxq s ALA 127 N 1.36 3.55 -0.62 5.51 0.00 -0.61 -1.35 121.76 129.61 3kxq s ALA 127 Ca 0.43 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3kxq s ALA 127 Cb -0.18 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.12 3kxq s ALA 127 CO 0.19 -0.59 0.54 -1.17 0.00 0.00 0.00 175.76 174.73 3kxq s LEU 128 N 1.99 6.15 -0.15 0.00 0.20 0.54 -1.06 118.68 126.35 3kxq s LEU 128 Ca 0.28 -2.20 -0.20 0.00 0.69 0.00 0.00 54.13 52.70 3kxq s LEU 128 Cb -0.16 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 3kxq s LEU 128 CO 0.10 -0.68 0.59 -0.63 -0.29 0.00 0.00 176.35 175.44 3kxq s ILE 129 N 0.94 5.08 -0.14 6.68 1.01 0.20 -0.88 121.20 134.10 3kxq s ILE 129 Ca 0.10 1.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 3kxq s ILE 129 Cb -0.22 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3kxq s ILE 129 CO -0.02 0.21 0.12 0.00 0.00 0.00 0.00 174.94 175.25 3kxq s VAL 131 N -0.60 1.11 0.00 0.00 -7.23 -0.41 -4.66 120.40 108.61 3kxq s VAL 131 Ca 0.12 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3kxq s VAL 131 Cb -0.12 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3kxq s VAL 131 CO 0.02 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 3kxq n GLY 132 N -0.17 2.98 3.93 2.32 0.00 -1.26 -0.26 105.19 112.72 3kxq n GLY 132 Ca -0.10 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 3kxq n GLY 132 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kxq s GLU 133 N -2.00 3.51 0.80 1.61 1.03 -1.25 -4.81 118.70 117.58 3kxq s GLU 133 Ca 0.00 -0.38 -0.12 0.00 0.03 0.00 0.00 54.97 54.50 3kxq s GLU 133 Cb 0.00 -2.86 0.07 0.00 -0.80 0.00 0.00 34.13 30.54 3kxq s GLU 133 CO 0.00 0.42 1.17 0.95 -1.33 0.00 0.00 175.26 176.47 3kxq s THR 134 N -1.85 2.17 0.19 1.83 -4.23 -1.26 -2.12 115.64 110.38 3kxq s THR 134 Ca 0.38 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 3kxq s THR 134 Cb -0.11 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.78 3kxq s THR 134 CO 0.29 -0.07 1.81 0.25 -0.54 0.00 0.00 174.62 176.36 3kxq h LEU 135 N -1.02 0.51 -0.91 4.79 5.85 -1.84 -1.04 115.31 121.64 3kxq h LEU 135 Ca -0.46 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3kxq h LEU 135 Cb 1.32 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3kxq h LEU 135 CO 0.66 0.35 0.48 -0.33 -0.34 0.00 0.00 178.44 179.25 3kxq h GLU 136 N 0.64 1.25 -0.58 1.25 3.07 -1.98 0.19 114.58 118.42 3kxq h GLU 136 Ca 0.25 -0.15 -0.09 0.00 -0.50 0.00 0.00 59.36 58.87 3kxq h GLU 136 Cb 0.10 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 3kxq h GLU 136 CO -0.14 0.92 0.01 0.93 -1.40 0.00 0.00 179.01 179.33 3kxq h GLU 137 N 1.25 1.01 -0.18 2.33 5.08 -1.84 -1.53 114.58 120.70 3kxq h GLU 137 Ca 0.31 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kxq h GLU 137 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3kxq h GLU 137 CO -0.05 1.00 0.01 -0.09 -1.00 0.00 0.00 179.01 178.88 3kxq h ARG 138 N 0.90 0.32 -0.65 2.33 9.65 -0.74 -0.59 114.38 125.60 3kxq h ARG 138 Ca 0.16 -0.10 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 3kxq h ARG 138 Cb 0.53 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 3kxq h ARG 138 CO 0.03 0.51 0.43 0.87 2.80 0.00 0.00 179.97 184.61 3kxq h LYS 139 N 0.08 0.57 -0.11 0.20 1.79 -0.55 -0.55 116.57 118.00 3kxq h LYS 139 Ca 0.05 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3kxq h LYS 139 Cb 0.36 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3kxq h LYS 139 CO 0.01 0.37 0.00 0.43 -1.08 0.00 0.00 179.45 179.18 3kxq n SER 140 N -4.48 0.81 -3.30 0.86 7.64 -0.58 -4.93 113.62 109.64 3kxq n SER 140 Ca 0.10 -1.75 -0.24 0.00 1.01 0.00 0.00 58.87 57.99 3kxq n SER 140 Cb 0.29 -0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.45 3kxq n SER 140 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kxq n ASN 141 N -0.17 -5.68 -1.06 6.43 5.03 -0.21 -4.92 115.26 114.68 3kxq n ASN 141 Ca 0.11 -0.41 0.08 0.00 0.87 0.00 0.00 54.58 55.22 3kxq n ASN 141 Cb 0.16 -4.57 0.26 0.00 -1.02 0.00 0.00 39.78 34.61 3kxq n ASN 141 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kxq n LYS 142 N -4.28 3.16 -0.16 3.52 5.02 -0.24 -4.76 118.16 120.43 3kxq n LYS 142 Ca -0.05 -2.55 -0.03 0.00 -2.02 0.00 0.00 58.31 53.65 3kxq n LYS 142 Cb 0.58 -1.63 0.06 0.00 -0.02 0.00 0.00 35.03 34.03 3kxq n LYS 142 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kxq h VAL 143 N 2.80 0.83 -0.17 -0.18 2.07 -1.88 -0.55 116.25 119.17 3kxq h VAL 143 Ca 0.00 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 3kxq h VAL 143 Cb 1.15 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kxq h VAL 143 CO 0.13 0.07 -0.65 -0.07 0.02 0.00 0.00 177.57 177.07 3kxq h LEU 144 N 0.36 0.71 -0.53 2.57 3.38 -1.96 -0.74 115.31 119.10 3kxq h LEU 144 Ca 0.24 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3kxq h LEU 144 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kxq h LEU 144 CO -0.24 1.17 0.27 0.44 0.09 0.00 0.00 178.44 180.16 3kxq h ASP 145 N 0.45 0.68 -0.09 -0.43 3.32 -1.81 -0.16 116.42 118.39 3kxq h ASP 145 Ca -0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3kxq h ASP 145 Cb 1.23 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 3kxq h ASP 145 CO 0.12 0.61 0.01 0.58 -1.72 0.00 0.00 179.24 178.84 3kxq h VAL 146 N 0.71 1.22 -0.91 -1.35 2.07 -0.91 -2.45 116.25 114.63 3kxq h VAL 146 Ca 0.18 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3kxq h VAL 146 Cb 0.10 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3kxq h VAL 146 CO -0.03 0.19 0.53 -0.07 0.02 0.00 0.00 177.57 178.22 3kxq h LEU 147 N -0.10 1.12 -0.45 2.57 3.38 -1.02 0.87 115.31 121.68 3kxq h LEU 147 Ca 0.03 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3kxq h LEU 147 Cb 0.29 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3kxq h LEU 147 CO 0.00 0.87 0.03 0.74 0.09 0.00 0.00 178.44 180.18 3kxq h THR 148 N 1.27 0.68 0.03 0.22 2.02 -0.88 0.14 112.91 116.40 3kxq h THR 148 Ca 0.32 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 3kxq h THR 148 Cb -0.02 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3kxq h THR 148 CO -0.06 0.03 -0.02 -0.09 0.37 0.00 0.00 175.52 175.75 3kxq h ARG 149 N 0.15 -0.04 -0.50 6.66 2.43 -1.07 -2.61 114.38 119.40 3kxq h ARG 149 Ca 0.23 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3kxq h ARG 149 Cb 0.32 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3kxq h ARG 149 CO -0.35 0.32 0.23 1.96 -1.51 0.00 0.00 179.97 180.62 3kxq h GLN 150 N -0.41 0.72 -0.64 0.20 4.20 -0.68 -0.48 115.11 118.02 3kxq h GLN 150 Ca -0.00 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3kxq h GLN 150 Cb 0.38 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3kxq h GLN 150 CO 0.01 0.61 0.22 -0.07 -0.67 0.00 0.00 178.83 178.93 3kxq h LEU 151 N 0.66 0.91 0.23 1.46 3.38 -0.78 -0.23 115.31 120.94 3kxq h LEU 151 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kxq h LEU 151 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kxq h LEU 151 CO -0.02 0.86 -0.11 -0.08 0.09 0.00 0.00 178.44 179.18 3kxq h GLU 152 N 0.91 -0.30 -0.04 1.13 4.57 -1.26 -3.11 114.58 116.47 3kxq h GLU 152 Ca 0.21 0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.24 3kxq h GLU 152 Cb 0.26 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kxq h GLU 152 CO -0.01 -0.06 -0.73 0.78 -1.18 0.00 0.00 179.01 177.81 3kxq h GLY 153 N -0.50 0.28 1.93 1.92 0.00 -1.01 -3.27 103.07 102.41 3kxq h GLY 153 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 3kxq h GLY 153 CO 0.05 0.36 -0.80 1.76 0.00 0.00 0.00 176.54 177.91 3kxq h SER 154 N 0.17 0.00 -3.59 0.19 0.02 -1.13 -3.40 113.55 105.82 3kxq h SER 154 Ca -0.03 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.31 3kxq h SER 154 Cb 1.29 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.71 3kxq h SER 154 CO 0.11 0.75 -0.15 -0.76 -1.14 0.00 0.00 176.83 175.64 3kxq s LEU 155 N -6.53 4.09 0.72 5.07 1.02 -1.18 -3.41 118.68 118.46 3kxq s LEU 155 Ca 0.02 0.45 -0.11 0.00 0.02 0.00 0.00 54.13 54.51 3kxq s LEU 155 Cb 0.09 -2.54 0.03 0.00 0.02 0.00 0.00 46.19 43.79 3kxq s LEU 155 CO 0.78 -0.17 1.08 -2.84 0.02 0.00 0.00 176.35 175.22 3kxq s PRO 156 N 1.85 2.62 0.51 1.29 0.02 -1.26 -4.92 135.00 135.11 3kxq s PRO 156 Ca 0.19 1.12 -0.23 0.00 0.02 0.00 0.00 61.00 62.10 3kxq s PRO 156 Cb -0.15 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3kxq s PRO 156 CO 0.09 -1.36 1.30 -0.25 -0.33 0.00 0.00 177.00 176.46 3kxq n ASP 157 N -3.16 2.52 0.00 2.53 8.00 -1.26 -2.95 116.55 122.22 3kxq n ASP 157 Ca 0.09 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.59 3kxq n ASP 157 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3kxq n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxq n GLY 158 N 0.81 0.49 3.77 0.44 0.00 -1.26 -5.06 105.19 104.37 3kxq n GLY 158 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3kxq n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 159 N -2.05 3.05 0.25 4.61 0.00 -1.15 -5.01 121.76 121.46 3kxq s ALA 159 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3kxq s ALA 159 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3kxq s ALA 159 CO 0.00 -0.77 0.14 0.95 0.00 0.00 0.00 175.76 176.08 3kxq s THR 160 N -1.42 0.21 -0.45 0.00 -4.23 -1.26 -4.99 115.64 103.50 3kxq s THR 160 Ca 0.62 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.37 3kxq s THR 160 Cb -0.33 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.23 3kxq s THR 160 CO 0.40 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.21 3kxq n ALA 161 N -0.42 1.66 -0.02 3.99 0.00 -1.26 -2.57 120.51 121.90 3kxq n ALA 161 Ca 0.02 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 3kxq n ALA 161 Cb 0.65 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 3kxq n ALA 161 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kxq h GLU 162 N 0.00 0.01 -0.01 0.00 3.07 -1.94 -3.41 114.58 112.29 3kxq h GLU 162 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kxq h GLU 162 Cb 0.38 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3kxq h GLU 162 CO 0.00 0.54 -0.26 0.27 -1.40 0.00 0.00 179.01 178.15 3kxq n ASN 163 N -3.07 1.61 -4.11 1.42 0.23 -1.08 -4.82 115.26 105.43 3kxq n ASN 163 Ca -0.17 -1.30 -0.10 0.00 -0.53 0.00 0.00 54.58 52.48 3kxq n ASN 163 Cb 1.05 0.41 -0.10 0.00 -2.08 0.00 0.00 39.78 39.06 3kxq n ASN 163 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3kxq s ILE 164 N -1.69 0.51 0.00 1.53 -4.36 -1.06 -1.57 121.20 114.56 3kxq s ILE 164 Ca 0.13 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 3kxq s ILE 164 Cb 0.12 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.51 3kxq s ILE 164 CO 0.34 -0.77 -0.04 -0.63 0.24 0.00 0.00 174.94 174.08 3kxq s ILE 165 N -3.05 0.33 -0.10 8.37 1.01 -0.22 -4.59 121.20 122.96 3kxq s ILE 165 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3kxq s ILE 165 Cb 0.01 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 3kxq s ILE 165 CO -0.05 -0.01 -0.05 -0.63 0.00 0.00 0.00 174.94 174.20 3kxq s ILE 166 N -0.34 3.82 -0.14 2.92 1.01 -0.51 -0.63 121.20 127.33 3kxq s ILE 166 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3kxq s ILE 166 Cb -0.03 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 3kxq s ILE 166 CO -0.00 0.56 -0.17 0.00 0.00 0.00 0.00 174.94 175.33 3kxq s ALA 167 N -0.39 2.42 -0.29 9.38 0.00 0.18 0.00 121.76 133.06 3kxq s ALA 167 Ca 0.06 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 3kxq s ALA 167 Cb -0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3kxq s ALA 167 CO 0.02 0.02 0.63 -0.47 0.00 0.00 0.00 175.76 175.96 3kxq s TYR 168 N 0.73 3.24 -0.47 0.00 5.04 -0.32 -1.29 117.35 124.28 3kxq s TYR 168 Ca -0.07 0.67 -0.13 0.00 -2.44 0.00 0.00 57.07 55.10 3kxq s TYR 168 Cb -0.16 -2.93 0.09 0.00 0.35 0.00 0.00 41.96 39.32 3kxq s TYR 168 CO 0.01 -0.42 0.38 -1.21 -1.34 0.00 0.00 175.55 172.97 3kxq s GLU 169 N 2.57 2.82 -1.02 4.97 2.02 0.64 -0.06 118.70 130.64 3kxq s GLU 169 Ca 0.26 -1.52 -0.24 0.00 0.02 0.00 0.00 54.97 53.49 3kxq s GLU 169 Cb -0.15 -4.05 -0.06 0.00 0.10 0.00 0.00 34.13 29.96 3kxq s GLU 169 CO 0.10 -1.10 1.93 -1.25 0.02 0.00 0.00 175.26 174.96 3kxq s PRO 170 N 1.54 2.57 0.17 0.39 0.04 -1.26 -3.83 135.00 134.61 3kxq s PRO 170 Ca 0.04 -0.66 -0.15 0.00 0.04 0.00 0.00 61.00 60.27 3kxq s PRO 170 Cb -0.26 -5.14 0.14 0.00 0.04 0.00 0.00 34.50 29.28 3kxq s PRO 170 CO 0.04 -3.58 1.68 0.28 0.04 0.00 0.00 177.00 175.46 3kxq h VAL 171 N 6.82 0.64 0.00 -0.36 2.07 -1.82 -3.47 116.25 120.12 3kxq h VAL 171 Ca 0.15 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kxq h VAL 171 Cb 0.98 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kxq h VAL 171 CO 1.22 0.01 0.00 -2.67 0.02 0.00 0.00 177.57 176.16 3kxq n TRP 172 N -5.24 0.00 0.00 1.57 4.27 -0.90 -4.69 117.44 112.45 3kxq n TRP 172 Ca 0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.65 3kxq n TRP 172 Cb 0.24 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.19 3kxq n TRP 172 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 3kxq n THR 181 N -0.01 0.00 0.09 -1.67 -2.24 -1.26 -4.71 114.28 104.48 3kxq n THR 181 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3kxq n THR 181 Cb 0.00 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 68.71 3kxq n THR 181 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kxq h SER 182 N 0.00 0.31 -0.14 3.42 4.64 -1.98 -1.08 113.55 118.72 3kxq h SER 182 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3kxq h SER 182 Cb 0.00 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3kxq h SER 182 CO 0.00 0.25 -0.13 0.00 -0.87 0.00 0.00 176.83 176.08 3kxq h ALA 183 N 1.81 0.20 -0.41 5.18 0.00 -2.01 0.35 119.26 124.38 3kxq h ALA 183 Ca 0.09 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3kxq h ALA 183 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3kxq h ALA 183 CO -0.02 0.06 -0.10 -0.44 0.00 0.00 0.00 179.25 178.75 3kxq h ASP 184 N -0.05 -0.38 -0.38 0.00 3.32 -1.93 -2.10 116.42 114.90 3kxq h ASP 184 Ca 0.02 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3kxq h ASP 184 Cb 0.65 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3kxq h ASP 184 CO 0.03 -0.14 -0.07 0.58 -1.72 0.00 0.00 179.24 177.92 3kxq h VAL 185 N -0.00 1.27 -0.60 -1.35 2.07 -1.13 -1.86 116.25 114.65 3kxq h VAL 185 Ca 0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kxq h VAL 185 Cb 0.30 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3kxq h VAL 185 CO -0.43 0.38 0.39 0.00 0.02 0.00 0.00 177.57 177.93 3kxq h ALA 186 N 0.84 0.76 -0.25 1.67 0.00 -0.78 0.23 119.26 121.73 3kxq h ALA 186 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kxq h ALA 186 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kxq h ALA 186 CO 0.03 0.21 -0.00 1.49 0.00 0.00 0.00 179.25 180.98 3kxq h GLU 187 N 0.81 0.44 -0.16 0.00 4.81 -1.25 -0.92 114.58 118.31 3kxq h GLU 187 Ca 0.22 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kxq h GLU 187 Cb -0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kxq h GLU 187 CO -0.05 0.61 0.08 0.28 -0.73 0.00 0.00 179.01 179.21 3kxq h VAL 188 N 0.21 1.11 -0.37 0.32 2.07 -1.19 -1.67 116.25 116.72 3kxq h VAL 188 Ca 0.07 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3kxq h VAL 188 Cb 0.42 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3kxq h VAL 188 CO 0.01 0.10 -0.26 0.45 0.02 0.00 0.00 177.57 177.89 3kxq h HIS 189 N 0.15 0.88 -0.70 1.57 3.86 -0.89 0.23 115.15 120.25 3kxq h HIS 189 Ca 0.06 -0.21 0.08 0.00 -1.16 0.00 0.00 60.37 59.13 3kxq h HIS 189 Cb 0.08 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.28 3kxq h HIS 189 CO -0.04 0.95 0.36 0.00 0.86 0.00 0.00 177.93 180.06 3kxq h ALA 190 N 1.04 0.96 -0.45 2.45 0.00 -1.07 0.32 119.26 122.51 3kxq h ALA 190 Ca 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kxq h ALA 190 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kxq h ALA 190 CO 0.06 -0.02 0.10 0.35 0.00 0.00 0.00 179.25 179.74 3kxq h PHE 191 N 0.62 0.76 -0.36 0.00 3.57 -0.53 -1.28 116.94 119.72 3kxq h PHE 191 Ca 0.34 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 3kxq h PHE 191 Cb 0.32 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kxq h PHE 191 CO -0.10 0.70 0.02 0.82 -2.23 0.00 0.00 178.31 177.52 3kxq h ILE 192 N 0.59 1.25 -0.72 1.41 2.04 -0.78 -0.93 117.51 120.38 3kxq h ILE 192 Ca 0.14 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.11 3kxq h ILE 192 Cb 0.33 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3kxq h ILE 192 CO 0.00 0.31 0.44 -0.74 0.00 0.00 0.00 178.15 178.16 3kxq h HIS 193 N 0.44 0.82 -0.58 1.37 2.76 -0.76 -0.71 115.15 118.49 3kxq h HIS 193 Ca 0.10 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 3kxq h HIS 193 Cb 0.42 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3kxq h HIS 193 CO 0.03 0.44 0.17 1.25 -1.30 0.00 0.00 177.93 178.52 3kxq h HIS 194 N 0.84 0.94 -0.81 5.26 -0.00 -0.91 -1.78 115.15 118.70 3kxq h HIS 194 Ca 0.30 -0.10 0.08 0.00 -0.00 0.00 0.00 60.37 60.65 3kxq h HIS 194 Cb 0.09 -0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 27.16 3kxq h HIS 194 CO -0.05 0.79 0.48 0.87 -0.00 0.00 0.00 177.93 180.02 3kxq h LYS 195 N 0.82 0.82 -0.36 5.26 1.79 -0.60 0.47 116.57 124.77 3kxq h LYS 195 Ca 0.19 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3kxq h LYS 195 Cb 0.30 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3kxq h LYS 195 CO -0.00 0.54 0.02 0.52 -1.08 0.00 0.00 179.45 179.45 3kxq h MET 196 N 0.84 0.62 -0.81 3.15 2.86 -0.62 -1.76 114.93 119.22 3kxq h MET 196 Ca 0.37 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3kxq h MET 196 Cb 0.26 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3kxq h MET 196 CO -0.21 0.72 0.47 1.25 1.06 0.00 0.00 176.91 180.20 3kxq h HIS 197 N 0.45 1.08 -0.62 -0.22 -0.00 -1.06 -0.49 115.15 114.29 3kxq h HIS 197 Ca 0.11 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3kxq h HIS 197 Cb 0.42 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3kxq h HIS 197 CO 0.03 0.74 0.41 0.77 -0.00 0.00 0.00 177.93 179.87 3kxq h SER 198 N 1.11 0.69 0.13 3.26 0.02 -0.62 0.25 113.55 118.40 3kxq h SER 198 Ca 0.29 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.95 3kxq h SER 198 Cb -0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3kxq h SER 198 CO -0.05 0.50 -1.36 -0.09 -1.14 0.00 0.00 176.83 174.69 3kxq h ARG 199 N 0.82 0.28 -0.12 3.45 2.43 -1.25 -3.40 114.38 116.60 3kxq h ARG 199 Ca 0.23 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3kxq h ARG 199 Cb -0.07 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3kxq h ARG 199 CO -0.06 1.23 0.00 1.19 -1.51 0.00 0.00 179.97 180.82 3kxq n PHE 200 N -3.91 0.15 -4.49 2.20 3.72 -0.20 -5.07 117.46 109.86 3kxq n PHE 200 Ca -0.23 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 3kxq n PHE 200 Cb 0.92 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3kxq n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kxq n GLY 201 N 0.43 0.45 0.34 1.37 0.00 0.88 -3.00 105.19 105.65 3kxq n GLY 201 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.27 3kxq n GLY 201 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kxq h ASP 202 N 8.60 0.89 -0.45 1.61 3.32 -1.92 -0.88 116.42 127.60 3kxq h ASP 202 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3kxq h ASP 202 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3kxq h ASP 202 CO 0.00 0.56 0.27 -0.33 -1.72 0.00 0.00 179.24 178.01 3kxq h GLU 203 N 1.02 0.63 -0.22 3.56 3.07 -1.95 -2.10 114.58 118.59 3kxq h GLU 203 Ca 0.40 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 3kxq h GLU 203 Cb 0.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3kxq h GLU 203 CO -0.19 0.46 -0.14 0.78 -1.40 0.00 0.00 179.01 178.52 3kxq h GLY 204 N 0.71 0.40 2.00 -3.84 0.00 -1.07 -1.84 103.07 99.43 3kxq h GLY 204 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kxq h GLY 204 CO -0.03 0.25 0.00 0.00 0.00 0.00 0.00 176.54 176.76 3kxq h ALA 205 N 1.51 1.00 -0.02 3.60 0.00 -0.98 -2.55 119.26 121.82 3kxq h ALA 205 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kxq h ALA 205 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kxq h ALA 205 CO 0.03 0.00 -0.18 1.63 0.00 0.00 0.00 179.25 180.73 3kxq n LYS 206 N -2.34 1.64 -2.21 0.00 5.02 -0.69 -4.92 118.16 114.66 3kxq n LYS 206 Ca -0.00 -1.24 -0.42 0.00 -2.02 0.00 0.00 58.31 54.62 3kxq n LYS 206 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3kxq n LYS 206 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kxq s ILE 207 N -2.22 3.62 0.19 -0.18 1.01 -0.96 -4.82 121.20 117.83 3kxq s ILE 207 Ca 0.27 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3kxq s ILE 207 Cb 0.20 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3kxq s ILE 207 CO 0.42 0.02 1.30 -0.13 0.00 0.00 0.00 174.94 176.56 3kxq s ARG 208 N 2.01 4.39 -0.24 2.79 3.00 -1.26 -4.95 118.95 124.69 3kxq s ARG 208 Ca 0.64 2.03 -0.01 0.00 0.00 0.00 0.00 55.73 58.39 3kxq s ARG 208 Cb -0.33 -3.21 0.03 0.00 0.00 0.00 0.00 34.95 31.44 3kxq s ARG 208 CO 0.28 -0.26 -0.07 -0.51 0.00 0.00 0.00 175.30 174.74 3kxq s LEU 209 N 0.01 3.14 -0.08 2.53 1.43 -1.26 -1.43 118.68 123.02 3kxq s LEU 209 Ca 0.57 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3kxq s LEU 209 Cb -0.36 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3kxq s LEU 209 CO 0.37 -0.12 0.08 -0.76 0.23 0.00 0.00 176.35 176.15 3kxq s LEU 210 N 1.32 4.01 -0.07 1.79 1.43 0.10 -0.30 118.68 126.97 3kxq s LEU 210 Ca 0.00 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 3kxq s LEU 210 Cb -0.16 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3kxq s LEU 210 CO -0.05 0.36 0.70 -0.47 0.23 0.00 0.00 176.35 177.12 3kxq s TYR 211 N -1.03 3.58 -0.08 0.29 5.04 -0.38 -1.17 117.35 123.59 3kxq s TYR 211 Ca 0.17 1.24 0.14 0.00 -2.44 0.00 0.00 57.07 56.18 3kxq s TYR 211 Cb -0.12 -2.80 0.28 0.00 0.35 0.00 0.00 41.96 39.67 3kxq s TYR 211 CO 0.06 0.09 1.13 0.41 -1.34 0.00 0.00 175.55 175.91 3kxq n GLY 212 N 3.10 2.87 0.00 8.97 0.00 0.91 -1.19 105.19 119.85 3kxq n GLY 212 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3kxq n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxq n GLY 213 N -0.52 -0.50 3.59 -0.02 0.00 -1.25 -4.67 105.19 101.83 3kxq n GLY 213 Ca 0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3kxq n GLY 213 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kxq s SER 214 N -1.17 6.09 -0.20 1.61 0.01 -1.26 -4.86 113.70 113.92 3kxq s SER 214 Ca 0.00 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 3kxq s SER 214 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 3kxq s SER 214 CO 0.00 -1.65 -0.08 -0.69 0.41 0.00 0.00 173.24 171.23 3kxq s VAL 215 N 6.23 3.11 0.17 3.43 1.01 -1.26 -4.99 120.40 128.10 3kxq s VAL 215 Ca 0.63 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3kxq s VAL 215 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3kxq s VAL 215 CO 0.30 0.46 -0.08 -1.59 0.00 0.00 0.00 175.10 174.18 3kxq s LYS 216 N 1.26 1.16 0.48 2.72 -2.85 -1.26 -4.57 119.74 116.68 3kxq s LYS 216 Ca 0.03 -1.52 0.27 0.00 -1.00 0.00 0.00 55.97 53.75 3kxq s LYS 216 Cb -0.14 -0.68 1.34 0.00 -2.06 0.00 0.00 37.83 36.28 3kxq s LYS 216 CO -0.04 0.05 1.83 -1.35 0.10 0.00 0.00 175.35 175.94 3kxq h PRO 217 N 2.68 0.16 0.00 1.78 0.11 -1.94 -2.22 132.00 132.58 3kxq h PRO 217 Ca -0.37 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3kxq h PRO 217 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kxq h PRO 217 CO 0.64 0.11 -0.12 0.66 -0.21 0.00 0.00 178.00 179.07 3kxq h SER 218 N 0.17 0.00 -0.06 -2.05 4.64 -1.98 -3.30 113.55 110.96 3kxq h SER 218 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3kxq h SER 218 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3kxq h SER 218 CO -0.11 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 175.51 3kxq n ASN 219 N -3.17 2.16 -0.18 4.97 0.23 -0.87 -4.78 115.26 113.62 3kxq n ASN 219 Ca 0.02 -1.58 -0.11 0.00 -0.53 0.00 0.00 54.58 52.39 3kxq n ASN 219 Cb 0.49 -0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 3kxq n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kxq h ALA 220 N 2.39 0.73 -0.09 -2.53 0.00 -1.55 -2.19 119.26 116.01 3kxq h ALA 220 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kxq h ALA 220 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kxq h ALA 220 CO 0.00 0.68 0.03 0.35 0.00 0.00 0.00 179.25 180.31 3kxq h PHE 221 N 0.90 0.15 -0.54 0.00 3.57 -1.86 0.68 116.94 119.84 3kxq h PHE 221 Ca 0.13 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3kxq h PHE 221 Cb 0.74 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3kxq h PHE 221 CO 0.05 0.29 0.32 1.49 -2.23 0.00 0.00 178.31 178.24 3kxq h GLU 222 N -0.04 0.63 -0.01 1.11 4.81 -1.90 -1.81 114.58 117.38 3kxq h GLU 222 Ca 0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kxq h GLU 222 Cb 0.21 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kxq h GLU 222 CO -0.00 0.41 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.61 3kxq h LEU 223 N 0.65 0.03 -0.88 1.64 3.38 -1.18 -3.21 115.31 115.73 3kxq h LEU 223 Ca 0.22 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kxq h LEU 223 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kxq h LEU 223 CO -0.09 0.50 0.00 -0.07 0.09 0.00 0.00 178.44 178.87 3kxq h LEU 224 N -0.44 0.00 -0.85 1.67 3.38 -0.83 -2.08 115.31 116.16 3kxq h LEU 224 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kxq h LEU 224 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kxq h LEU 224 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 3kxq n SER 225 N -2.81 1.32 -4.75 -0.43 7.64 -0.68 -4.85 113.62 109.06 3kxq n SER 225 Ca 0.02 -1.46 -0.41 0.00 1.01 0.00 0.00 58.87 58.03 3kxq n SER 225 Cb 0.34 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 3kxq n SER 225 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kxq s THR 226 N -1.98 3.65 0.16 0.44 2.01 -0.78 -4.96 115.64 114.18 3kxq s THR 226 Ca 0.38 1.52 -0.34 0.00 0.31 0.00 0.00 61.69 63.57 3kxq s THR 226 Cb 0.21 -3.97 -0.15 0.00 0.01 0.00 0.00 72.50 68.60 3kxq s THR 226 CO 0.33 0.30 1.41 0.00 -0.69 0.00 0.00 174.62 175.97 3kxq n ALA 227 N 1.86 0.32 -1.04 7.40 0.00 -1.26 -1.61 120.51 126.18 3kxq n ALA 227 Ca 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 3kxq n ALA 227 Cb 0.45 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 3kxq n ALA 227 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kxq n HIS 228 N 2.52 0.00 -3.51 0.00 8.25 -1.26 -4.66 115.22 116.56 3kxq n HIS 228 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 3kxq n HIS 228 Cb 0.26 -0.93 -0.10 0.00 1.12 0.00 0.00 29.99 30.33 3kxq n HIS 228 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kxq s VAL 229 N -1.71 5.16 -1.18 1.59 1.01 -0.63 -4.66 120.40 119.97 3kxq s VAL 229 Ca 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 61.98 61.64 3kxq s VAL 229 Cb 0.00 -3.78 0.59 0.00 0.00 0.00 0.00 36.38 33.19 3kxq s VAL 229 CO 0.00 -0.18 1.50 0.59 0.00 0.00 0.00 175.10 177.02 3kxq n ASN 230 N 5.11 4.07 0.00 3.32 5.03 0.59 -4.73 115.26 128.66 3kxq n ASN 230 Ca -0.12 -2.30 0.00 0.00 0.87 0.00 0.00 54.58 53.04 3kxq n ASN 230 Cb 0.48 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 3kxq n ASN 230 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kxq n GLY 231 N 0.94 0.14 3.18 7.41 0.00 -1.24 -0.95 105.19 114.68 3kxq n GLY 231 Ca 0.22 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3kxq n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 232 N -1.00 -0.35 -0.30 4.61 0.00 -0.91 -1.25 121.76 122.55 3kxq s ALA 232 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 3kxq s ALA 232 Cb 0.00 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.47 3kxq s ALA 232 CO 0.00 -0.38 0.01 -1.17 0.00 0.00 0.00 175.76 174.22 3kxq s LEU 233 N -2.18 3.87 -0.16 0.00 2.96 -0.33 -1.17 118.68 121.67 3kxq s LEU 233 Ca -0.04 -1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 52.63 3kxq s LEU 233 Cb -0.00 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3kxq s LEU 233 CO -0.05 -0.25 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.05 3kxq s ILE 234 N 1.28 3.68 0.00 6.68 1.01 0.40 -4.36 121.20 129.90 3kxq s ILE 234 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3kxq s ILE 234 Cb -0.19 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3kxq s ILE 234 CO -0.01 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3kxq n GLY 235 N 3.67 0.16 0.37 6.18 0.00 -1.26 -0.60 105.19 113.71 3kxq n GLY 235 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3kxq n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kxq h GLY 236 N 0.00 1.40 0.55 -0.02 0.00 -1.91 -0.65 103.07 102.44 3kxq h GLY 236 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3kxq h GLY 236 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.88 3kxq n ALA 237 N -2.38 2.27 1.01 3.60 0.00 -1.26 -2.36 120.51 121.39 3kxq n ALA 237 Ca 0.14 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3kxq n ALA 237 Cb 0.17 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3kxq n ALA 237 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kxq n SER 238 N -0.77 1.59 0.15 0.00 3.41 -0.25 -1.58 113.62 116.17 3kxq n SER 238 Ca 0.09 -1.28 0.01 0.00 -0.26 0.00 0.00 58.87 57.44 3kxq n SER 238 Cb 0.04 0.63 0.19 0.00 -0.26 0.00 0.00 64.21 64.81 3kxq n SER 238 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kxq h LEU 239 N 1.49 0.00 -8.38 1.04 3.38 -1.58 -3.43 115.31 107.83 3kxq h LEU 239 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3kxq h LEU 239 Cb 0.65 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.09 3kxq h LEU 239 CO 0.00 0.56 -0.87 -0.54 0.09 0.00 0.00 178.44 177.68 3kxq s LYS 240 N -3.45 2.39 0.26 1.13 -0.14 -1.26 -4.96 119.74 113.71 3kxq s LYS 240 Ca -0.00 -0.81 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 3kxq s LYS 240 Cb 0.11 -2.00 0.50 0.00 -1.68 0.00 0.00 37.83 34.76 3kxq s LYS 240 CO 0.74 0.31 1.78 0.00 -0.76 0.00 0.00 175.35 177.41 3kxq h ALA 241 N 6.22 1.27 -0.91 5.17 0.00 -1.83 -1.38 119.26 127.80 3kxq h ALA 241 Ca -0.30 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.77 3kxq h ALA 241 Cb 1.18 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 3kxq h ALA 241 CO 0.47 -0.03 0.56 0.97 0.00 0.00 0.00 179.25 181.22 3kxq h ILE 242 N 0.68 0.96 -0.00 0.00 2.10 -1.95 0.29 117.51 119.60 3kxq h ILE 242 Ca 0.45 -0.32 -0.04 0.00 1.08 0.00 0.00 64.86 66.03 3kxq h ILE 242 Cb 0.58 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3kxq h ILE 242 CO -0.33 0.17 -0.14 0.44 -1.08 0.00 0.00 178.15 177.22 3kxq h ASP 243 N 0.94 0.12 -0.23 2.19 3.32 -1.56 -2.58 116.42 118.62 3kxq h ASP 243 Ca 0.43 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kxq h ASP 243 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3kxq h ASP 243 CO -0.23 0.89 0.14 0.15 -1.72 0.00 0.00 179.24 178.47 3kxq h PHE 244 N -0.63 0.29 -0.02 4.55 3.57 -0.26 -2.53 116.94 121.90 3kxq h PHE 244 Ca -0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3kxq h PHE 244 Cb 0.91 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3kxq h PHE 244 CO 0.19 0.21 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.00 3kxq h LEU 245 N 0.30 0.04 -0.74 0.59 3.38 -0.53 -1.86 115.31 116.48 3kxq h LEU 245 Ca 0.08 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3kxq h LEU 245 Cb -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3kxq h LEU 245 CO -0.02 0.45 0.24 0.74 0.09 0.00 0.00 178.44 179.95 3kxq h THR 246 N 0.04 1.26 -0.55 0.22 2.02 -1.16 -1.24 112.91 113.50 3kxq h THR 246 Ca 0.00 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 3kxq h THR 246 Cb 0.74 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3kxq h THR 246 CO 0.05 0.35 0.20 0.40 0.37 0.00 0.00 175.52 176.90 3kxq h ILE 247 N 1.10 1.23 -0.25 3.11 2.04 -1.03 -2.97 117.51 120.74 3kxq h ILE 247 Ca 0.24 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3kxq h ILE 247 Cb 0.30 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3kxq h ILE 247 CO -0.01 0.28 0.02 0.00 0.00 0.00 0.00 178.15 178.44 3kxq h ASP 249 N 0.35 0.00 -0.45 0.00 3.32 -1.07 -2.37 116.42 116.21 3kxq h ASP 249 Ca 0.08 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.26 3kxq h ASP 249 Cb 0.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kxq h ASP 249 CO 0.00 0.00 0.32 0.58 -1.72 0.00 0.00 179.24 178.42 3kxq h VAL 250 N 0.00 0.80 0.00 -1.35 2.07 -1.53 -1.94 116.25 114.29 3kxq h VAL 250 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kxq h VAL 250 Cb 0.14 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kxq h VAL 250 CO -0.00 0.01 0.00 -1.22 0.02 0.00 0.00 177.57 176.38 3kxq n TYR 251 N -4.42 0.53 0.53 1.57 4.01 -0.89 -1.65 117.16 116.84 3kxq n TYR 251 Ca 0.08 0.17 0.13 0.00 -0.16 0.00 0.00 57.90 58.12 3kxq n TYR 251 Cb 0.49 -0.78 0.41 0.00 -0.31 0.00 0.00 39.34 39.16 3kxq n TYR 251 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kxq h ARG 252 N 0.00 0.00 0.00 -0.72 -0.00 -1.56 -3.48 114.38 108.62 3kxq h ARG 252 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kxq h ARG 252 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 3kxq h ARG 252 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.97 180.33