#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwm h GLN 9 N 0.00 0.00 -0.64 1.20 4.15 -2.02 -3.12 115.11 114.68 3kwm h GLN 9 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3kwm h GLN 9 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3kwm h GLN 9 CO 0.00 0.47 0.05 -0.44 -1.93 0.00 0.00 178.83 176.99 3kwm h ASP 10 N 0.00 1.06 -0.64 -0.69 5.19 -2.02 -0.50 116.42 118.81 3kwm h ASP 10 Ca -0.00 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.18 3kwm h ASP 10 Cb 0.95 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 3kwm h ASP 10 CO 0.06 1.08 0.36 -0.33 -3.12 0.00 0.00 179.24 177.29 3kwm h GLU 11 N 1.01 0.64 -0.06 3.56 5.08 -1.97 0.40 114.58 123.24 3kwm h GLU 11 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3kwm h GLU 11 Cb 0.50 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kwm h GLU 11 CO 0.02 0.43 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.38 3kwm h LEU 12 N 0.66 0.11 -0.83 1.33 3.38 -1.52 -0.89 115.31 117.56 3kwm h LEU 12 Ca 0.29 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3kwm h LEU 12 Cb 0.17 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3kwm h LEU 12 CO -0.17 0.42 0.45 0.11 0.09 0.00 0.00 178.44 179.33 3kwm h LYS 13 N -0.20 0.68 -0.49 1.13 1.57 -0.96 -1.71 116.57 116.59 3kwm h LYS 13 Ca 0.02 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3kwm h LYS 13 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kwm h LYS 13 CO 0.00 0.45 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.94 3kwm h LYS 14 N 0.70 0.98 -0.48 3.15 3.64 -0.74 -2.06 116.57 121.77 3kwm h LYS 14 Ca 0.42 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3kwm h LYS 14 Cb 0.49 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3kwm h LYS 14 CO -0.30 1.08 0.20 1.25 -2.27 0.00 0.00 179.45 179.41 3kwm h LEU 15 N 0.84 0.65 -0.58 5.20 5.85 -0.76 0.10 115.31 126.61 3kwm h LEU 15 Ca 0.12 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3kwm h LEU 15 Cb 0.75 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3kwm h LEU 15 CO 0.06 0.63 0.10 0.00 -0.34 0.00 0.00 178.44 178.89 3kwm h ALA 16 N 1.05 0.77 -0.06 1.25 0.00 -1.29 -1.93 119.26 119.06 3kwm h ALA 16 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kwm h ALA 16 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kwm h ALA 16 CO -0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3kwm h ALA 17 N 1.01 0.08 -0.11 0.00 0.00 -1.23 -1.32 119.26 117.69 3kwm h ALA 17 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kwm h ALA 17 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kwm h ALA 17 CO 0.01 -0.26 -0.08 1.79 0.00 0.00 0.00 179.25 180.71 3kwm h THR 18 N -0.18 1.13 -0.13 0.00 1.35 -0.96 -1.66 112.91 112.45 3kwm h THR 18 Ca 0.02 -0.56 -0.22 0.00 -0.55 0.00 0.00 66.41 65.09 3kwm h THR 18 Cb 0.32 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3kwm h THR 18 CO 0.00 0.17 -0.79 -0.08 -0.25 0.00 0.00 175.52 174.58 3kwm h GLU 19 N 0.16 0.77 -0.01 4.72 4.57 -1.25 -3.26 114.58 120.29 3kwm h GLU 19 Ca 0.04 -0.65 -0.09 0.00 -1.18 0.00 0.00 59.36 57.47 3kwm h GLU 19 Cb 0.26 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kwm h GLU 19 CO 0.01 1.25 -0.44 0.00 -1.18 0.00 0.00 179.01 178.65 3kwm h ALA 20 N 0.53 1.26 0.00 2.92 0.00 -0.83 -2.65 119.26 120.48 3kwm h ALA 20 Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3kwm h ALA 20 Cb 1.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kwm h ALA 20 CO 0.16 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.85 3kwm h ALA 21 N 1.54 1.26 0.00 0.00 0.00 -1.36 -2.17 119.26 118.54 3kwm h ALA 21 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kwm h ALA 21 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kwm h ALA 21 CO 0.06 0.15 0.00 0.87 0.00 0.00 0.00 179.25 180.33 3kwm h LYS 22 N 0.00 0.00 0.00 0.00 1.57 -1.52 -2.25 116.57 114.37 3kwm h LYS 22 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kwm h LYS 22 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kwm h LYS 22 CO 0.02 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.33 3kwm n SER 23 N -2.60 0.78 -4.58 0.86 7.64 -0.82 -4.37 113.62 110.55 3kwm n SER 23 Ca -0.01 0.59 -0.35 0.00 1.01 0.00 0.00 58.87 60.11 3kwm n SER 23 Cb 0.11 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 3kwm n SER 23 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kwm s ILE 24 N -3.14 3.80 -0.39 0.44 1.01 -0.85 -4.64 121.20 117.42 3kwm s ILE 24 Ca 0.09 -1.24 0.15 0.00 0.00 0.00 0.00 60.65 59.65 3kwm s ILE 24 Cb 0.12 -4.81 -0.20 0.00 0.01 0.00 0.00 42.46 37.57 3kwm s ILE 24 CO 0.56 -1.49 0.50 1.07 0.00 0.00 0.00 174.94 175.58 3kwm n THR 25 N 7.17 0.00 -4.22 2.92 5.66 -1.26 -4.99 114.28 119.55 3kwm n THR 25 Ca 0.45 -0.24 -0.15 0.00 -3.05 0.00 0.00 64.05 61.06 3kwm n THR 25 Cb 0.47 0.61 -0.09 0.00 -1.55 0.00 0.00 70.33 69.76 3kwm n THR 25 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3kwm s THR 26 N -2.72 0.00 -0.11 1.09 -1.32 -1.26 -5.12 115.64 106.20 3kwm s THR 26 Ca 0.00 -1.98 -0.29 0.00 -1.21 0.00 0.00 61.69 58.21 3kwm s THR 26 Cb 0.11 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3kwm s THR 26 CO 0.63 0.00 1.51 -1.83 -2.21 0.00 0.00 174.62 172.72 3kwm s GLU 27 N -3.89 4.16 0.13 7.08 4.04 -1.26 -4.80 118.70 124.17 3kwm s GLU 27 Ca 0.39 1.95 0.03 0.00 0.04 0.00 0.00 54.97 57.38 3kwm s GLU 27 Cb 0.05 -3.91 -0.04 0.00 0.02 0.00 0.00 34.13 30.25 3kwm s GLU 27 CO 0.18 -0.84 -0.07 0.96 -1.84 0.00 0.00 175.26 173.65 3kwm s ILE 28 N 3.95 0.89 -0.21 1.83 -4.36 -0.10 -4.92 121.20 118.28 3kwm s ILE 28 Ca 0.66 -1.99 -0.25 0.00 -0.26 0.00 0.00 60.65 58.81 3kwm s ILE 28 Cb -0.28 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 3kwm s ILE 28 CO 0.24 -0.74 0.84 -0.89 0.24 0.00 0.00 174.94 174.63 3kwm s THR 29 N -3.51 4.85 -0.14 8.37 2.01 -1.26 -1.84 115.64 124.12 3kwm s THR 29 Ca 0.16 1.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.74 3kwm s THR 29 Cb 0.04 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3kwm s THR 29 CO -0.01 -0.04 0.02 -0.22 -0.69 0.00 0.00 174.62 173.68 3kwm s LEU 30 N 2.57 3.60 -0.15 4.42 2.96 0.23 -1.61 118.68 130.71 3kwm s LEU 30 Ca 0.37 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3kwm s LEU 30 Cb -0.16 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3kwm s LEU 30 CO 0.09 0.25 0.09 -0.83 -1.32 0.00 0.00 176.35 174.64 3kwm s GLY 31 N -0.13 2.01 -0.11 7.98 0.00 0.70 -0.38 107.32 117.39 3kwm s GLY 31 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.09 3kwm s GLY 31 CO 0.02 -0.16 -0.21 0.14 0.00 0.00 0.00 173.10 172.89 3kwm s VAL 32 N -0.27 2.37 0.00 1.40 1.01 -0.22 -1.51 120.40 123.18 3kwm s VAL 32 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3kwm s VAL 32 Cb -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3kwm s VAL 32 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3kwm n GLY 33 N 3.51 -0.86 3.02 4.51 0.00 0.35 -2.16 105.19 113.56 3kwm n GLY 33 Ca -0.19 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 3kwm n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwm s THR 34 N 0.00 0.55 0.00 2.61 2.01 -1.26 -4.59 115.64 114.96 3kwm s THR 34 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3kwm s THR 34 Cb 0.00 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.99 3kwm s THR 34 CO 0.00 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 3kwm n GLY 35 N 2.33 0.92 0.33 4.40 0.00 -1.26 -4.57 105.19 107.33 3kwm n GLY 35 Ca -0.17 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.46 3kwm n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kwm h SER 36 N 0.00 -0.97 -0.60 1.61 0.02 -2.00 0.13 113.55 111.73 3kwm h SER 36 Ca 0.00 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3kwm h SER 36 Cb 0.00 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3kwm h SER 36 CO 0.00 -0.36 0.38 0.74 -1.14 0.00 0.00 176.83 176.45 3kwm h THR 37 N -0.40 1.10 0.00 -2.27 2.02 -1.91 -1.54 112.91 109.91 3kwm h THR 37 Ca 0.09 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 3kwm h THR 37 Cb 0.54 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3kwm h THR 37 CO -0.34 0.14 -0.31 0.58 0.37 0.00 0.00 175.52 175.96 3kwm h VAL 38 N 0.76 1.17 -0.90 3.16 2.07 -1.76 -2.74 116.25 118.01 3kwm h VAL 38 Ca 0.24 -1.10 0.09 0.00 0.82 0.00 0.00 66.70 66.75 3kwm h VAL 38 Cb -0.02 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3kwm h VAL 38 CO -0.08 0.31 0.55 1.23 0.02 0.00 0.00 177.57 179.59 3kwm h GLY 39 N 1.02 1.41 1.68 2.17 0.00 0.31 0.14 103.07 109.80 3kwm h GLY 39 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 3kwm h GLY 39 CO 0.04 0.20 -0.30 0.74 0.00 0.00 0.00 176.54 177.22 3kwm h PHE 40 N 0.94 0.42 -0.08 5.60 0.04 -1.28 -3.08 116.94 119.49 3kwm h PHE 40 Ca 0.42 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 3kwm h PHE 40 Cb 0.32 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3kwm h PHE 40 CO -0.03 0.64 -0.08 1.25 -0.60 0.00 0.00 178.31 179.48 3kwm h LEU 41 N 0.33 0.21 -0.80 1.54 7.12 -1.02 -2.84 115.31 119.84 3kwm h LEU 41 Ca 0.04 -0.49 0.17 0.00 0.13 0.00 0.00 57.88 57.74 3kwm h LEU 41 Cb 0.69 -0.06 -0.11 0.00 -0.53 0.00 0.00 40.66 40.66 3kwm h LEU 41 CO 0.05 0.65 0.31 0.40 -0.13 0.00 0.00 178.44 179.72 3kwm h ILE 42 N -0.23 0.58 -0.24 4.05 2.04 -0.80 -0.18 117.51 122.74 3kwm h ILE 42 Ca 0.01 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 3kwm h ILE 42 Cb 0.59 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3kwm h ILE 42 CO 0.02 0.07 -0.17 -0.33 0.00 0.00 0.00 178.15 177.75 3kwm h GLU 43 N 0.41 0.41 0.00 2.37 5.08 -1.55 -2.87 114.58 118.43 3kwm h GLU 43 Ca 0.46 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3kwm h GLU 43 Cb 0.76 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kwm h GLU 43 CO -0.46 0.57 -0.10 0.93 -1.00 0.00 0.00 179.01 178.95 3kwm h GLU 44 N 0.37 0.00 0.00 2.33 4.39 -0.80 -3.24 114.58 117.63 3kwm h GLU 44 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kwm h GLU 44 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3kwm h GLU 44 CO 0.03 0.10 0.00 -0.07 -1.16 0.00 0.00 179.01 177.91 3kwm h LEU 45 N 0.00 0.00 -1.57 1.33 3.38 -1.11 -1.81 115.31 115.53 3kwm h LEU 45 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kwm h LEU 45 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3kwm h LEU 45 CO 0.01 0.00 0.32 0.58 0.09 0.00 0.00 178.44 179.44 3kwm h VAL 46 N 0.00 1.07 0.00 1.22 2.07 -1.72 -1.01 116.25 117.88 3kwm h VAL 46 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kwm h VAL 46 Cb 0.24 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kwm h VAL 46 CO 0.00 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.28 3kwm n ASN 47 N -4.47 0.00 0.00 0.57 3.02 -0.68 -3.55 115.26 110.14 3kwm n ASN 47 Ca 0.05 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3kwm n ASN 47 Cb 0.12 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3kwm n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kwm n TYR 48 N -1.17 0.00 -0.24 3.10 4.01 -0.43 -4.86 117.16 117.56 3kwm n TYR 48 Ca 0.16 -0.29 0.24 0.00 -0.16 0.00 0.00 57.90 57.85 3kwm n TYR 48 Cb 0.17 -0.03 0.60 0.00 -0.31 0.00 0.00 39.34 39.76 3kwm n TYR 48 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kwm h ARG 49 N 0.00 0.24 0.00 -0.72 2.43 -1.47 -0.84 114.38 114.02 3kwm h ARG 49 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kwm h ARG 49 Cb 0.60 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3kwm h ARG 49 CO 0.00 0.16 0.00 -0.40 -1.51 0.00 0.00 179.97 178.22 3kwm n ASP 50 N -4.43 0.46 -0.34 -3.80 3.85 -1.26 -3.02 116.55 108.01 3kwm n ASP 50 Ca 0.20 0.59 0.06 0.00 -0.71 0.00 0.00 54.79 54.93 3kwm n ASP 50 Cb 0.85 -0.70 0.02 0.00 -1.35 0.00 0.00 41.12 39.94 3kwm n ASP 50 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kwm n LYS 51 N -1.98 1.46 -3.41 0.11 5.02 -0.32 -4.84 118.16 114.19 3kwm n LYS 51 Ca 0.04 -0.87 -0.44 0.00 -2.02 0.00 0.00 58.31 55.02 3kwm n LYS 51 Cb 0.27 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3kwm n LYS 51 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kwm s ILE 52 N -1.27 5.41 0.13 -0.18 1.01 -1.17 -0.93 121.20 124.21 3kwm s ILE 52 Ca 0.11 -3.05 -0.19 0.00 0.00 0.00 0.00 60.65 57.52 3kwm s ILE 52 Cb 0.09 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3kwm s ILE 52 CO 0.23 -1.08 1.76 0.50 0.00 0.00 0.00 174.94 176.35 3kwm h LYS 53 N 7.07 0.23 -3.82 2.79 3.64 -1.66 -3.45 116.57 121.35 3kwm h LYS 53 Ca 0.13 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 3kwm h LYS 53 Cb 0.94 -0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.47 3kwm h LYS 53 CO 0.86 0.15 -0.69 0.99 -2.27 0.00 0.00 179.45 178.49 3kwm s THR 54 N -6.17 0.06 -0.10 1.00 2.01 -1.19 -5.02 115.64 106.22 3kwm s THR 54 Ca -0.13 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3kwm s THR 54 Cb 0.10 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.45 3kwm s THR 54 CO 0.70 -0.26 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.48 3kwm s VAL 55 N -0.78 1.72 -0.10 3.82 1.01 -1.26 -0.60 120.40 124.21 3kwm s VAL 55 Ca -0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kwm s VAL 55 Cb -0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3kwm s VAL 55 CO -0.00 0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 3kwm s VAL 56 N 0.66 3.70 0.01 2.92 1.01 0.49 -0.48 120.40 128.71 3kwm s VAL 56 Ca -0.13 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3kwm s VAL 56 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3kwm s VAL 56 CO 0.03 0.55 -0.10 -0.55 0.00 0.00 0.00 175.10 175.03 3kwm s SER 57 N -0.28 4.36 0.00 3.32 0.15 -1.26 -1.06 113.70 118.93 3kwm s SER 57 Ca 0.04 -0.22 0.27 0.00 0.70 0.00 0.00 55.95 56.74 3kwm s SER 57 Cb -0.13 -0.94 0.82 0.00 -1.71 0.00 0.00 66.02 64.07 3kwm s SER 57 CO 0.02 0.28 1.61 -1.54 1.20 0.00 0.00 173.24 174.82 3kwm n SER 58 N 1.64 1.72 -3.50 5.45 3.41 -0.92 -4.94 113.62 116.48 3kwm n SER 58 Ca -0.16 -1.51 -0.12 0.00 -0.26 0.00 0.00 58.87 56.83 3kwm n SER 58 Cb 0.52 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3kwm n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kwm s SER 59 N -2.08 -0.47 0.31 4.04 1.04 -1.26 -4.20 113.70 111.07 3kwm s SER 59 Ca 0.34 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.97 3kwm s SER 59 Cb 0.20 0.46 0.50 0.00 0.10 0.00 0.00 66.02 67.28 3kwm s SER 59 CO 0.36 -0.66 1.91 -0.33 0.98 0.00 0.00 173.24 175.50 3kwm h GLU 60 N 2.28 0.85 0.07 4.02 4.39 -1.98 -1.47 114.58 122.74 3kwm h GLU 60 Ca -0.25 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 3kwm h GLU 60 Cb 1.23 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3kwm h GLU 60 CO 0.34 0.66 -0.04 0.22 -1.16 0.00 0.00 179.01 179.04 3kwm h ASP 61 N 0.84 -0.10 -0.56 1.42 3.58 -2.00 -1.56 116.42 118.06 3kwm h ASP 61 Ca 0.21 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3kwm h ASP 61 Cb 0.10 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3kwm h ASP 61 CO -0.03 -0.07 0.33 0.28 -2.88 0.00 0.00 179.24 176.87 3kwm h SER 62 N -0.11 0.69 -0.22 2.28 0.02 -1.83 -2.14 113.55 112.23 3kwm h SER 62 Ca -0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kwm h SER 62 Cb 0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3kwm h SER 62 CO 0.01 0.55 0.09 0.74 -1.14 0.00 0.00 176.83 177.08 3kwm h THR 63 N 0.80 1.17 -0.85 -2.27 2.02 -0.96 0.78 112.91 113.60 3kwm h THR 63 Ca 0.21 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3kwm h THR 63 Cb 0.00 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3kwm h THR 63 CO -0.04 0.17 0.46 0.03 0.37 0.00 0.00 175.52 176.51 3kwm h ARG 64 N 0.21 1.19 -0.42 6.66 3.08 -1.12 -0.45 114.38 123.52 3kwm h ARG 64 Ca 0.07 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3kwm h ARG 64 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3kwm h ARG 64 CO -0.01 0.88 0.14 0.87 -1.07 0.00 0.00 179.97 180.78 3kwm h LYS 65 N 1.18 0.65 -0.58 0.04 1.57 -1.19 -1.65 116.57 116.58 3kwm h LYS 65 Ca 0.30 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3kwm h LYS 65 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3kwm h LYS 65 CO -0.05 0.63 0.02 -0.07 -0.57 0.00 0.00 179.45 179.42 3kwm h LEU 66 N 0.54 0.97 -0.78 2.94 3.38 -0.48 -2.93 115.31 118.95 3kwm h LEU 66 Ca 0.14 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3kwm h LEU 66 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kwm h LEU 66 CO -0.01 1.01 -0.55 0.11 0.09 0.00 0.00 178.44 179.09 3kwm h LYS 67 N 0.92 0.17 0.00 1.13 1.57 -1.05 0.57 116.57 119.89 3kwm h LYS 67 Ca 0.17 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3kwm h LYS 67 Cb 0.51 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kwm h LYS 67 CO 0.02 0.68 -0.13 0.00 -0.57 0.00 0.00 179.45 179.45 3kwm h ALA 68 N 1.30 1.29 -0.23 3.86 0.00 -1.12 -1.64 119.26 122.72 3kwm h ALA 68 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kwm h ALA 68 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kwm h ALA 68 CO 0.08 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.78 3kwm n LEU 69 N -3.67 3.03 0.00 0.00 4.32 -1.07 -4.96 117.00 114.65 3kwm n LEU 69 Ca -0.02 -1.20 0.00 0.00 -0.02 0.00 0.00 56.01 54.77 3kwm n LEU 69 Cb 0.25 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3kwm n LEU 69 CO 0.31 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3kwm n GLY 70 N 1.40 0.72 3.76 -0.72 0.00 -0.62 -5.05 105.19 104.69 3kwm n GLY 70 Ca 0.17 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3kwm n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwm s PHE 71 N -2.00 3.68 0.04 1.61 0.08 0.16 -4.97 117.98 116.58 3kwm s PHE 71 Ca 0.00 1.22 -0.29 0.00 0.12 0.00 0.00 56.93 57.98 3kwm s PHE 71 Cb 0.00 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 3kwm s PHE 71 CO 0.00 0.33 0.95 0.34 -0.10 0.00 0.00 175.22 176.74 3kwm s ASP 72 N -0.13 7.39 -0.11 1.36 2.15 -1.26 -3.76 116.67 122.31 3kwm s ASP 72 Ca 0.32 1.68 -0.04 0.00 0.43 0.00 0.00 52.55 54.94 3kwm s ASP 72 Cb -0.18 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 3kwm s ASP 72 CO 0.18 -0.17 0.02 -0.69 -0.17 0.00 0.00 175.17 174.34 3kwm s VAL 73 N 0.58 4.48 -0.03 1.11 1.01 -1.26 -4.01 120.40 122.28 3kwm s VAL 73 Ca 0.49 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.37 3kwm s VAL 73 Cb -0.22 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3kwm s VAL 73 CO 0.28 0.57 -0.25 -0.69 0.00 0.00 0.00 175.10 175.01 3kwm s VAL 74 N -0.55 1.98 0.34 2.92 1.01 0.36 -4.99 120.40 121.46 3kwm s VAL 74 Ca 0.10 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 3kwm s VAL 74 Cb -0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 36.38 34.49 3kwm s VAL 74 CO 0.02 0.56 1.31 -0.67 0.00 0.00 0.00 175.10 176.32 3kwm n ASP 75 N 2.64 2.83 -0.23 3.32 2.03 -1.26 -4.36 116.55 121.52 3kwm n ASP 75 Ca -0.16 1.20 0.04 0.00 0.52 0.00 0.00 54.79 56.39 3kwm n ASP 75 Cb 0.52 -1.49 0.29 0.00 -0.72 0.00 0.00 41.12 39.72 3kwm n ASP 75 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3kwm h LEU 76 N 2.72 0.80 -0.72 -2.67 5.85 -1.94 -1.08 115.31 118.27 3kwm h LEU 76 Ca -0.46 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3kwm h LEU 76 Cb 1.28 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3kwm h LEU 76 CO 0.64 0.53 0.45 0.78 -0.34 0.00 0.00 178.44 180.49 3kwm h ASN 77 N 0.91 0.73 -0.23 1.25 2.35 -1.91 0.20 115.58 118.89 3kwm h ASN 77 Ca 0.33 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 3kwm h ASN 77 Cb 0.16 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kwm h ASN 77 CO -0.11 0.50 -0.18 0.22 -1.65 0.00 0.00 177.43 176.21 3kwm h TYR 78 N 0.87 0.63 -0.68 1.19 3.20 -1.77 -3.28 116.97 117.14 3kwm h TYR 78 Ca 0.29 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3kwm h TYR 78 Cb 0.04 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3kwm h TYR 78 CO -0.04 0.84 0.20 0.00 -1.64 0.00 0.00 178.16 177.52 3kwm h ALA 79 N 0.68 0.89 0.00 1.82 0.00 -0.88 -3.48 119.26 118.29 3kwm h ALA 79 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kwm h ALA 79 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kwm h ALA 79 CO 0.05 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3kwm n GLY 80 N -0.72 1.35 3.78 0.00 0.00 0.69 -4.85 105.19 105.44 3kwm n GLY 80 Ca 0.05 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3kwm n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kwm s GLU 81 N 0.00 4.11 -0.04 1.61 0.41 -1.26 -4.84 118.70 118.69 3kwm s GLU 81 Ca 0.00 0.38 -0.28 0.00 -0.41 0.00 0.00 54.97 54.67 3kwm s GLU 81 Cb 0.00 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.00 3kwm s GLU 81 CO 0.00 0.45 0.89 0.42 -0.49 0.00 0.00 175.26 176.53 3kwm s ILE 82 N -0.30 4.92 -0.01 -1.63 1.01 0.07 -4.85 121.20 120.41 3kwm s ILE 82 Ca 0.23 1.85 -0.23 0.00 0.00 0.00 0.00 60.65 62.51 3kwm s ILE 82 Cb -0.16 -4.23 -0.20 0.00 0.01 0.00 0.00 42.46 37.89 3kwm s ILE 82 CO 0.11 0.17 1.18 0.44 0.00 0.00 0.00 174.94 176.84 3kwm h ASP 83 N 6.84 0.26 -3.19 3.58 3.45 -1.60 0.17 116.42 125.93 3kwm h ASP 83 Ca -0.40 -0.63 -0.33 0.00 0.43 0.00 0.00 57.03 56.11 3kwm h ASP 83 Cb 1.20 -0.08 -0.37 0.00 -0.56 0.00 0.00 39.33 39.52 3kwm h ASP 83 CO 0.76 0.85 -0.68 -0.22 -1.57 0.00 0.00 179.24 178.38 3kwm s LEU 84 N -8.81 0.02 -0.18 1.55 2.96 -1.11 -2.55 118.68 110.56 3kwm s LEU 84 Ca -0.15 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3kwm s LEU 84 Cb 0.03 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 3kwm s LEU 84 CO 0.74 -0.25 -0.04 -0.47 -1.32 0.00 0.00 176.35 175.01 3kwm s TYR 85 N 2.24 2.98 -0.14 5.38 5.04 0.66 -0.22 117.35 133.29 3kwm s TYR 85 Ca 0.04 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.17 3kwm s TYR 85 Cb -0.12 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.20 3kwm s TYR 85 CO -0.05 -0.21 -0.20 0.42 -1.34 0.00 0.00 175.55 174.17 3kwm s ILE 86 N 0.74 1.91 0.14 3.14 1.01 -0.57 -0.35 121.20 127.22 3kwm s ILE 86 Ca -0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3kwm s ILE 86 Cb -0.15 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.64 3kwm s ILE 86 CO 0.02 0.52 0.39 -0.62 0.00 0.00 0.00 174.94 175.25 3kwm s ASP 87 N 0.97 -0.17 0.35 3.58 -1.08 -1.00 -0.50 116.67 118.82 3kwm s ASP 87 Ca -0.04 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3kwm s ASP 87 Cb -0.15 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 3kwm s ASP 87 CO -0.04 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.37 3kwm n GLY 88 N -0.23 0.58 3.39 2.66 0.00 -1.26 -0.62 105.19 109.70 3kwm n GLY 88 Ca -0.13 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 3kwm n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwm s ALA 89 N -2.90 -1.38 -0.08 4.61 0.00 -1.26 -4.80 121.76 115.94 3kwm s ALA 89 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3kwm s ALA 89 Cb 0.00 0.83 -0.25 0.00 0.00 0.00 0.00 23.12 23.69 3kwm s ALA 89 CO 0.00 -0.73 0.53 -0.44 0.00 0.00 0.00 175.76 175.12 3kwm h ASP 90 N 2.12 0.27 -5.05 0.00 3.32 -1.10 -3.48 116.42 112.50 3kwm h ASP 90 Ca -0.34 -0.57 -0.14 0.00 0.02 0.00 0.00 57.03 56.00 3kwm h ASP 90 Cb 1.29 -0.09 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3kwm h ASP 90 CO 0.41 1.51 -0.57 -1.61 -1.72 0.00 0.00 179.24 177.25 3kwm s GLU 91 N -2.58 0.50 -0.02 3.56 2.02 -0.92 -4.69 118.70 116.56 3kwm s GLU 91 Ca -0.14 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3kwm s GLU 91 Cb 0.07 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.52 3kwm s GLU 91 CO 0.80 -0.11 0.03 0.00 0.02 0.00 0.00 175.26 175.99 3kwm n ASN 93 N 4.09 0.00 0.05 0.00 0.23 -0.44 -0.58 115.26 118.61 3kwm n ASN 93 Ca -0.27 -0.06 0.13 0.00 -0.53 0.00 0.00 54.58 53.85 3kwm n ASN 93 Cb 0.51 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.72 3kwm n ASN 93 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kwm n ASN 94 N -0.19 0.34 -1.05 0.53 3.02 -1.25 -3.48 115.26 113.17 3kwm n ASN 94 Ca 0.00 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 3kwm n ASN 94 Cb 0.00 -0.63 0.28 0.00 -0.61 0.00 0.00 39.78 38.83 3kwm n ASN 94 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kwm n HIS 95 N -1.82 1.12 -2.31 3.10 8.25 -1.26 -4.93 115.22 117.36 3kwm n HIS 95 Ca 0.06 -0.85 -0.21 0.00 -0.26 0.00 0.00 57.72 56.46 3kwm n HIS 95 Cb 0.35 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3kwm n HIS 95 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kwm n LYS 96 N -0.32 -1.67 -3.50 -0.41 5.02 -1.23 -4.81 118.16 111.23 3kwm n LYS 96 Ca 0.22 1.03 -0.36 0.00 -2.02 0.00 0.00 58.31 57.18 3kwm n LYS 96 Cb 0.94 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 3kwm n LYS 96 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kwm s GLU 97 N -4.90 3.87 0.15 1.97 2.02 -1.26 -1.22 118.70 119.33 3kwm s GLU 97 Ca 0.00 0.33 0.08 0.00 0.02 0.00 0.00 54.97 55.40 3kwm s GLU 97 Cb 0.00 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 3kwm s GLU 97 CO 0.00 0.60 -0.18 -0.51 0.02 0.00 0.00 175.26 175.19 3kwm s LEU 98 N -1.56 2.42 -0.18 1.80 1.43 -0.52 -1.33 118.68 120.73 3kwm s LEU 98 Ca 0.30 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3kwm s LEU 98 Cb -0.15 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 3kwm s LEU 98 CO 0.16 -0.04 0.01 -0.63 0.23 0.00 0.00 176.35 176.08 3kwm s ILE 99 N -1.95 4.22 0.17 -0.59 1.01 -0.55 -1.12 121.20 122.40 3kwm s ILE 99 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3kwm s ILE 99 Cb -0.06 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3kwm s ILE 99 CO 0.06 0.45 0.07 -0.54 0.00 0.00 0.00 174.94 174.98 3kwm s LYS 100 N 0.62 1.10 0.00 2.79 1.02 0.89 -0.39 119.74 125.76 3kwm s LYS 100 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.44 3kwm s LYS 100 Cb -0.14 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 3kwm s LYS 100 CO 0.02 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 3kwm n GLY 101 N -0.22 0.77 0.37 -3.33 0.00 -1.26 -4.28 105.19 97.23 3kwm n GLY 101 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 3kwm n GLY 101 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kwm h GLY 102 N 0.00 0.21 -1.88 -0.02 0.00 -1.92 0.11 103.07 99.57 3kwm h GLY 102 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3kwm h GLY 102 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 3kwm n GLY 103 N -1.59 1.41 2.60 4.60 0.00 -1.26 -4.95 105.19 106.00 3kwm n GLY 103 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kwm n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwm n ALA 104 N 0.79 0.00 -1.08 4.61 0.00 0.37 -4.90 120.51 120.30 3kwm n ALA 104 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.62 3kwm n ALA 104 Cb 0.48 -0.48 0.28 0.00 0.00 0.00 0.00 19.45 19.72 3kwm n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwm n ALA 105 N 1.00 3.77 -0.17 0.00 0.00 -1.26 -4.72 120.51 119.13 3kwm n ALA 105 Ca 0.00 -2.43 0.04 0.00 0.00 0.00 0.00 53.44 51.05 3kwm n ALA 105 Cb 0.13 -0.91 0.32 0.00 0.00 0.00 0.00 19.45 18.99 3kwm n ALA 105 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3kwm h LEU 106 N 2.11 0.71 0.15 0.00 -0.00 -1.90 -2.27 115.31 114.12 3kwm h LEU 106 Ca 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 3kwm h LEU 106 Cb 1.80 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 42.30 3kwm h LEU 106 CO 0.43 0.49 -0.07 0.74 -0.00 0.00 0.00 178.44 180.03 3kwm h THR 107 N 0.83 0.98 0.00 0.15 2.02 -1.92 0.80 112.91 115.76 3kwm h THR 107 Ca 0.28 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 3kwm h THR 107 Cb 0.09 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3kwm h THR 107 CO -0.08 0.15 -0.40 0.03 0.37 0.00 0.00 175.52 175.59 3kwm h ARG 108 N -0.52 0.00 -0.39 6.66 3.08 -1.77 -1.50 114.38 119.94 3kwm h ARG 108 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3kwm h ARG 108 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3kwm h ARG 108 CO 0.03 0.40 0.09 0.93 -1.07 0.00 0.00 179.97 180.35 3kwm h GLU 109 N 0.00 0.63 -0.49 0.04 5.08 -1.24 -1.49 114.58 117.11 3kwm h GLU 109 Ca -0.00 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 3kwm h GLU 109 Cb 0.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3kwm h GLU 109 CO 0.05 0.66 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.28 3kwm h LYS 110 N 0.49 1.00 -0.37 2.33 3.64 -0.59 -1.63 116.57 121.43 3kwm h LYS 110 Ca 0.12 -0.43 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3kwm h LYS 110 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kwm h LYS 110 CO 0.00 1.11 0.20 0.82 -2.27 0.00 0.00 179.45 179.31 3kwm h ILE 111 N 0.86 1.01 -0.33 2.00 2.04 -1.25 -0.98 117.51 120.85 3kwm h ILE 111 Ca 0.11 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3kwm h ILE 111 Cb 0.80 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3kwm h ILE 111 CO 0.07 0.07 0.15 0.00 0.00 0.00 0.00 178.15 178.44 3kwm h VAL 113 N 0.31 0.89 -0.90 0.00 2.07 -1.13 -2.05 116.25 115.44 3kwm h VAL 113 Ca 0.14 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.71 3kwm h VAL 113 Cb 0.08 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 3kwm h VAL 113 CO -0.12 0.04 0.58 0.00 0.02 0.00 0.00 177.57 178.09 3kwm h ALA 114 N 1.20 1.71 -0.49 1.67 0.00 -0.81 -1.46 119.26 121.08 3kwm h ALA 114 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kwm h ALA 114 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kwm h ALA 114 CO -0.16 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3kwm n ALA 115 N -2.41 2.42 -2.79 0.00 0.00 -0.77 -4.92 120.51 112.04 3kwm n ALA 115 Ca 0.16 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.34 3kwm n ALA 115 Cb 0.38 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 3kwm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwm s ALA 116 N -1.35 3.61 0.26 0.00 0.00 -0.55 -0.75 121.76 122.98 3kwm s ALA 116 Ca 0.36 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3kwm s ALA 116 Cb 0.19 -1.97 0.36 0.00 0.00 0.00 0.00 23.12 21.70 3kwm s ALA 116 CO 0.26 0.32 1.70 0.87 0.00 0.00 0.00 175.76 178.91 3kwm h LYS 117 N 6.10 0.53 -3.42 0.00 1.57 -0.76 -3.43 116.57 117.16 3kwm h LYS 117 Ca -0.44 -0.21 -0.31 0.00 -1.87 0.00 0.00 60.65 57.82 3kwm h LYS 117 Cb 1.18 -0.03 -0.35 0.00 0.08 0.00 0.00 32.23 33.11 3kwm h LYS 117 CO 0.68 0.75 -0.71 0.21 -0.57 0.00 0.00 179.45 179.80 3kwm s LYS 118 N -4.49 -0.03 -0.29 3.15 2.20 -1.06 -5.04 119.74 114.18 3kwm s LYS 118 Ca -0.07 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3kwm s LYS 118 Cb 0.14 -0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.18 3kwm s LYS 118 CO 0.80 -0.21 0.00 0.12 -0.36 0.00 0.00 175.35 175.70 3kwm s PHE 119 N 1.41 3.18 -0.26 4.03 5.36 -1.26 -0.24 117.98 130.19 3kwm s PHE 119 Ca -0.05 -1.57 -0.12 0.00 -0.96 0.00 0.00 56.93 54.22 3kwm s PHE 119 Cb -0.13 -2.13 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 3kwm s PHE 119 CO -0.03 -0.74 0.24 0.42 -1.46 0.00 0.00 175.22 173.65 3kwm s ILE 120 N 1.33 5.28 -0.18 3.12 1.01 0.52 -1.03 121.20 131.26 3kwm s ILE 120 Ca -0.02 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 3kwm s ILE 120 Cb -0.18 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3kwm s ILE 120 CO -0.01 0.25 0.26 0.00 0.00 0.00 0.00 174.94 175.45 3kwm s ILE 122 N 0.61 3.65 0.04 0.00 -4.36 0.20 -0.66 121.20 120.68 3kwm s ILE 122 Ca 0.14 -0.42 -0.03 0.00 -0.26 0.00 0.00 60.65 60.09 3kwm s ILE 122 Cb -0.13 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 3kwm s ILE 122 CO 0.03 0.44 0.02 0.27 0.24 0.00 0.00 174.94 175.95 3kwm s ILE 123 N 1.04 0.15 0.53 8.37 -4.36 -0.82 -4.16 121.20 121.95 3kwm s ILE 123 Ca 0.01 -1.26 -0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3kwm s ILE 123 Cb -0.15 -0.92 0.02 0.00 1.25 0.00 0.00 42.46 42.66 3kwm s ILE 123 CO 0.01 -0.70 0.77 1.51 0.24 0.00 0.00 174.94 176.77 3kwm s ASP 124 N -2.20 5.49 0.55 4.36 -4.77 -1.26 -1.56 116.67 117.28 3kwm s ASP 124 Ca -0.04 0.21 0.27 0.00 -3.30 0.00 0.00 52.55 49.69 3kwm s ASP 124 Cb -0.01 -1.23 1.60 0.00 -1.09 0.00 0.00 42.92 42.19 3kwm s ASP 124 CO -0.05 -1.00 2.17 -0.08 0.70 0.00 0.00 175.17 176.91 3kwm h GLU 125 N 0.12 0.00 0.00 2.11 4.81 -1.25 -2.72 114.58 117.65 3kwm h GLU 125 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kwm h GLU 125 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kwm h GLU 125 CO 0.56 0.05 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 3kwm h SER 126 N 0.00 0.00 0.99 1.04 4.64 -1.95 -2.18 113.55 116.09 3kwm h SER 126 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kwm h SER 126 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3kwm h SER 126 CO 0.01 0.00 -0.47 0.29 -0.87 0.00 0.00 176.83 175.79 3kwm n LYS 127 N -2.89 0.27 -2.69 4.77 4.76 -1.03 -4.87 118.16 116.48 3kwm n LYS 127 Ca -0.02 0.11 -0.43 0.00 -2.87 0.00 0.00 58.31 55.11 3kwm n LYS 127 Cb 0.13 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 3kwm n LYS 127 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kwm s LYS 128 N -3.14 4.36 0.27 1.97 2.47 -0.82 -1.19 119.74 123.66 3kwm s LYS 128 Ca 0.08 1.36 0.02 0.00 -1.56 0.00 0.00 55.97 55.86 3kwm s LYS 128 Cb 0.13 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.87 3kwm s LYS 128 CO 0.69 -0.42 0.08 0.14 0.16 0.00 0.00 175.35 176.00 3kwm s VAL 129 N 2.42 0.74 -0.14 4.02 -7.23 0.26 -4.94 120.40 115.53 3kwm s VAL 129 Ca 0.46 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.82 3kwm s VAL 129 Cb -0.17 -2.64 -0.25 0.00 0.56 0.00 0.00 36.38 33.87 3kwm s VAL 129 CO 0.14 -0.03 0.33 0.59 -0.31 0.00 0.00 175.10 175.81 3kwm n ASN 130 N -0.51 0.19 -3.85 4.85 3.02 -1.26 -3.91 115.26 113.80 3kwm n ASN 130 Ca -0.01 0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.42 3kwm n ASN 130 Cb 0.66 1.04 -0.17 0.00 -0.61 0.00 0.00 39.78 40.71 3kwm n ASN 130 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kwm s THR 131 N -2.82 0.46 0.60 3.41 2.01 -1.26 -4.61 115.64 113.43 3kwm s THR 131 Ca -0.08 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 3kwm s THR 131 Cb 0.09 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 3kwm s THR 131 CO 0.85 0.23 1.12 -0.76 -0.69 0.00 0.00 174.62 175.36 3kwm s LEU 132 N 1.24 3.58 0.00 4.42 1.43 -1.26 -4.57 118.68 123.53 3kwm s LEU 132 Ca -0.06 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3kwm s LEU 132 Cb -0.14 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.52 3kwm s LEU 132 CO -0.02 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.75 3kwm n GLY 133 N -0.17 1.27 0.06 -3.19 0.00 -1.26 -1.86 105.19 100.05 3kwm n GLY 133 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3kwm n GLY 133 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kwm h ASN 134 N 0.00 -0.03 -3.13 1.61 -0.00 -1.80 -3.40 115.58 108.82 3kwm h ASN 134 Ca 0.00 -0.22 -0.53 0.00 -0.00 0.00 0.00 56.30 55.56 3kwm h ASN 134 Cb 0.00 0.01 0.04 0.00 -0.00 0.00 0.00 38.32 38.37 3kwm h ASN 134 CO 0.00 0.20 0.77 0.12 -0.00 0.00 0.00 177.43 178.52 3kwm s PHE 135 N -5.29 3.11 0.32 0.67 5.36 -1.26 -4.94 117.98 115.96 3kwm s PHE 135 Ca -0.14 0.92 -0.29 0.00 -0.96 0.00 0.00 56.93 56.45 3kwm s PHE 135 Cb 0.04 -3.79 -0.11 0.00 -0.34 0.00 0.00 43.02 38.81 3kwm s PHE 135 CO 0.66 -2.73 1.55 -1.25 -1.46 0.00 0.00 175.22 171.99 3kwm s PRO 136 N 0.44 4.12 -0.38 10.12 0.04 -1.26 -4.93 135.00 143.15 3kwm s PRO 136 Ca 0.63 2.57 -0.29 0.00 0.04 0.00 0.00 61.00 63.95 3kwm s PRO 136 Cb -0.41 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.14 3kwm s PRO 136 CO 0.36 -0.59 1.26 -1.17 0.04 0.00 0.00 177.00 176.90 3kwm s LEU 137 N -1.11 3.74 0.23 -3.56 2.96 -0.35 -4.63 118.68 115.96 3kwm s LEU 137 Ca 0.59 0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 55.08 3kwm s LEU 137 Cb -0.47 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.59 3kwm s LEU 137 CO 0.54 -1.20 1.17 -2.84 -1.32 0.00 0.00 176.35 172.69 3kwm s PRO 138 N 4.39 4.54 -0.07 0.98 0.02 -1.26 -0.63 135.00 142.97 3kwm s PRO 138 Ca 0.54 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 3kwm s PRO 138 Cb -0.13 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.21 3kwm s PRO 138 CO 0.27 0.02 -0.02 0.42 -0.33 0.00 0.00 177.00 177.36 3kwm s ILE 139 N -0.56 0.46 -0.14 2.83 1.01 0.58 -0.32 121.20 125.05 3kwm s ILE 139 Ca 0.49 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.96 3kwm s ILE 139 Cb -0.33 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3kwm s ILE 139 CO 0.40 0.25 0.59 -0.70 0.00 0.00 0.00 174.94 175.48 3kwm s GLU 140 N 1.62 4.30 0.08 2.79 2.12 -0.55 -0.50 118.70 128.56 3kwm s GLU 140 Ca -0.00 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.00 3kwm s GLU 140 Cb -0.13 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 3kwm s GLU 140 CO -0.04 -0.05 -0.15 0.14 -0.54 0.00 0.00 175.26 174.63 3kwm s VAL 141 N 1.27 1.18 0.11 3.70 -7.23 0.52 -0.28 120.40 119.66 3kwm s VAL 141 Ca 0.30 -1.37 -0.31 0.00 -1.81 0.00 0.00 61.98 58.79 3kwm s VAL 141 Cb -0.16 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 3kwm s VAL 141 CO 0.12 -0.23 1.79 -0.63 -0.31 0.00 0.00 175.10 175.84 3kwm s ILE 142 N -1.36 2.66 0.30 -0.62 -1.09 0.04 -2.02 121.20 119.11 3kwm s ILE 142 Ca -0.00 0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 3kwm s ILE 142 Cb -0.09 -3.10 0.30 0.00 -1.58 0.00 0.00 42.46 37.99 3kwm s ILE 142 CO 0.02 -0.00 1.74 -0.65 -1.23 0.00 0.00 174.94 174.82 3kwm h PRO 143 N 8.56 0.58 -0.45 2.79 0.11 -1.91 0.76 132.00 142.45 3kwm h PRO 143 Ca -0.45 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3kwm h PRO 143 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kwm h PRO 143 CO 0.94 0.38 0.30 1.98 -0.21 0.00 0.00 178.00 181.40 3kwm h MET 144 N 0.60 0.37 -0.00 1.05 1.85 -1.98 -1.96 114.93 114.85 3kwm h MET 144 Ca 0.59 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.66 3kwm h MET 144 Cb 1.05 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.00 3kwm h MET 144 CO -0.45 0.24 -0.27 0.00 -0.40 0.00 0.00 176.91 176.03 3kwm n ALA 145 N -2.51 3.06 -0.19 0.39 0.00 0.24 -4.61 120.51 116.88 3kwm n ALA 145 Ca 0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 3kwm n ALA 145 Cb 0.24 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 3kwm n ALA 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kwm h ARG 146 N 0.44 -0.18 -0.36 0.00 2.43 -1.15 -1.05 114.38 114.50 3kwm h ARG 146 Ca 0.00 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 3kwm h ARG 146 Cb 0.46 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3kwm h ARG 146 CO 0.00 -0.12 -0.39 0.77 -1.51 0.00 0.00 179.97 178.72 3kwm h SER 147 N -0.18 0.94 0.06 -3.80 0.02 -1.82 -1.50 113.55 107.27 3kwm h SER 147 Ca 0.22 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3kwm h SER 147 Cb 0.55 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3kwm h SER 147 CO -0.66 1.22 -0.07 0.22 -1.14 0.00 0.00 176.83 176.39 3kwm h TYR 148 N 0.72 -0.19 -0.58 3.45 3.20 -1.71 -1.91 116.97 119.95 3kwm h TYR 148 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3kwm h TYR 148 Cb 0.98 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3kwm h TYR 148 CO 0.06 -0.12 0.38 0.82 -1.64 0.00 0.00 178.16 177.66 3kwm h ILE 149 N -0.16 1.16 -0.48 1.81 2.04 -1.17 -1.56 117.51 119.15 3kwm h ILE 149 Ca 0.01 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.67 3kwm h ILE 149 Cb 0.16 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 36.47 3kwm h ILE 149 CO -0.03 0.15 -0.09 0.00 0.00 0.00 0.00 178.15 178.18 3kwm h ALA 150 N 1.20 0.35 -0.93 1.87 0.00 -1.17 -0.05 119.26 120.54 3kwm h ALA 150 Ca 0.21 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.38 3kwm h ALA 150 Cb -0.07 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3kwm h ALA 150 CO -0.04 -0.43 0.58 0.00 0.00 0.00 0.00 179.25 179.35 3kwm h ARG 151 N 0.02 1.00 -0.17 0.00 3.08 -0.61 -1.72 114.38 115.99 3kwm h ARG 151 Ca 0.23 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3kwm h ARG 151 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kwm h ARG 151 CO -0.47 0.66 -0.40 1.96 -1.07 0.00 0.00 179.97 180.64 3kwm h GLN 152 N 1.03 0.37 -0.20 0.04 1.08 -0.45 -2.89 115.11 114.10 3kwm h GLN 152 Ca 0.42 -0.18 -0.19 0.00 -1.45 0.00 0.00 58.65 57.25 3kwm h GLN 152 Cb 0.24 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3kwm h GLN 152 CO -0.20 0.72 -0.63 0.82 -0.95 0.00 0.00 178.83 178.60 3kwm h ILE 153 N 0.31 1.31 -0.85 2.54 2.04 -0.44 -2.78 117.51 119.65 3kwm h ILE 153 Ca 0.03 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.07 3kwm h ILE 153 Cb 0.84 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 3kwm h ILE 153 CO 0.07 0.59 0.53 0.58 0.00 0.00 0.00 178.15 179.92 3kwm h VAL 154 N 0.51 1.09 -0.12 1.67 2.07 -1.30 -0.99 116.25 119.18 3kwm h VAL 154 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3kwm h VAL 154 Cb 1.21 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3kwm h VAL 154 CO 0.12 0.18 0.06 0.11 0.02 0.00 0.00 177.57 178.06 3kwm h LYS 155 N 1.01 0.17 -0.00 1.57 1.57 -1.35 -0.40 116.57 119.14 3kwm h LYS 155 Ca 0.35 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3kwm h LYS 155 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kwm h LYS 155 CO -0.14 0.14 -0.05 1.28 -0.57 0.00 0.00 179.45 180.10 3kwm n LEU 156 N -4.49 0.10 0.00 2.94 4.77 -0.49 -4.92 117.00 114.91 3kwm n LEU 156 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3kwm n LEU 156 Cb 0.10 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3kwm n LEU 156 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3kwm n GLY 157 N 1.38 0.57 3.91 -0.72 0.00 -0.16 -5.09 105.19 105.07 3kwm n GLY 157 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3kwm n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwm s GLY 158 N -1.14 1.56 -0.43 -0.02 0.00 -0.52 -4.73 107.32 102.03 3kwm s GLY 158 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 3kwm s GLY 158 CO 0.00 -0.36 0.21 1.20 0.00 0.00 0.00 173.10 174.15 3kwm s GLN 159 N -4.88 1.95 0.04 2.90 -0.21 -0.45 -3.75 119.66 115.26 3kwm s GLN 159 Ca 0.51 -2.00 -0.30 0.00 0.02 0.00 0.00 55.36 53.59 3kwm s GLN 159 Cb -0.10 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.37 3kwm s GLN 159 CO 0.45 -1.06 1.10 -1.25 -2.12 0.00 0.00 175.29 172.42 3kwm s PRO 160 N 0.80 4.49 -0.18 2.91 0.04 -1.26 -1.17 135.00 140.63 3kwm s PRO 160 Ca 0.11 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3kwm s PRO 160 Cb -0.22 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 30.96 3kwm s PRO 160 CO -0.05 -0.16 -0.13 0.08 0.04 0.00 0.00 177.00 176.78 3kwm s VAL 161 N 1.00 1.69 0.12 -0.36 1.01 0.13 -4.94 120.40 119.05 3kwm s VAL 161 Ca 0.56 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 3kwm s VAL 161 Cb -0.26 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 3kwm s VAL 161 CO 0.29 0.34 1.76 -0.47 0.00 0.00 0.00 175.10 177.02 3kwm s TYR 162 N 1.41 2.36 -0.60 5.22 5.04 -1.26 -0.52 117.35 129.00 3kwm s TYR 162 Ca 0.02 0.14 -0.28 0.00 -2.44 0.00 0.00 57.07 54.52 3kwm s TYR 162 Cb -0.14 -4.11 0.02 0.00 0.35 0.00 0.00 41.96 38.08 3kwm s TYR 162 CO -0.10 -4.47 1.29 0.50 -1.34 0.00 0.00 175.55 171.44 3kwm s ARG 163 N 2.43 3.38 0.44 4.97 3.52 -0.48 -4.92 118.95 128.29 3kwm s ARG 163 Ca 0.78 0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 56.37 3kwm s ARG 163 Cb -0.45 -4.08 -0.09 0.00 -1.56 0.00 0.00 34.95 28.77 3kwm s ARG 163 CO 0.35 -1.86 1.41 -1.21 -0.81 0.00 0.00 175.30 173.17 3kwm s GLU 164 N 5.30 3.77 -1.83 5.12 0.41 -1.26 -3.33 118.70 126.89 3kwm s GLU 164 Ca 0.45 2.38 0.00 0.00 -0.41 0.00 0.00 54.97 57.39 3kwm s GLU 164 Cb -0.09 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 3kwm s GLU 164 CO 0.23 -0.73 0.00 1.04 -0.49 0.00 0.00 175.26 175.31 3kwm n GLN 165 N -0.08 -1.67 -3.95 1.61 6.02 -1.26 -4.98 117.38 113.07 3kwm n GLN 165 Ca 0.04 1.03 -0.28 0.00 -0.01 0.00 0.00 57.00 57.78 3kwm n GLN 165 Cb 0.42 -5.66 -0.17 0.00 1.02 0.00 0.00 30.24 25.86 3kwm n GLN 165 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kwm s THR 166 N -2.99 1.27 -0.09 5.09 2.01 -1.21 -5.10 115.64 114.62 3kwm s THR 166 Ca 0.00 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3kwm s THR 166 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3kwm s THR 166 CO 0.00 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.44 3kwm s ILE 167 N 1.60 2.33 0.85 1.82 1.01 -1.26 -4.51 121.20 123.04 3kwm s ILE 167 Ca 0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3kwm s ILE 167 Cb -0.13 -1.90 0.10 0.00 0.01 0.00 0.00 42.46 40.54 3kwm s ILE 167 CO -0.09 0.56 1.11 0.42 0.00 0.00 0.00 174.94 176.94 3kwm s THR 168 N 0.11 2.63 0.66 2.92 -4.23 -0.46 -4.90 115.64 112.38 3kwm s THR 168 Ca -0.11 0.21 0.34 0.00 -1.18 0.00 0.00 61.69 60.95 3kwm s THR 168 Cb -0.16 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.11 3kwm s THR 168 CO 0.06 -0.27 2.07 0.44 -0.54 0.00 0.00 174.62 176.38 3kwm h ASP 169 N -1.29 0.00 -0.15 3.99 3.45 -1.91 -1.32 116.42 119.19 3kwm h ASP 169 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 3kwm h ASP 169 Cb 1.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 3kwm h ASP 169 CO 0.60 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.86 3kwm n ASN 170 N -3.07 2.54 0.00 6.45 3.02 -1.26 -4.94 115.26 118.00 3kwm n ASN 170 Ca -0.02 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3kwm n ASN 170 Cb 0.30 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3kwm n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kwm n GLY 171 N 1.31 0.58 3.92 7.41 0.00 -0.50 -5.06 105.19 112.86 3kwm n GLY 171 Ca 0.17 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 3kwm n GLY 171 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kwm n ASN 172 N 0.39 2.39 -4.55 1.61 3.02 -1.26 -4.80 115.26 112.06 3kwm n ASN 172 Ca 0.00 -2.70 -0.26 0.00 -0.03 0.00 0.00 54.58 51.59 3kwm n ASN 172 Cb 0.00 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 3kwm n ASN 172 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kwm s VAL 173 N -2.70 2.33 -0.10 2.41 -7.23 -0.86 -1.35 120.40 112.91 3kwm s VAL 173 Ca 0.50 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3kwm s VAL 173 Cb -0.04 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3kwm s VAL 173 CO 0.32 -0.22 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.13 3kwm s ILE 174 N -2.58 3.19 -0.21 -0.62 -1.09 -1.26 -0.36 121.20 118.27 3kwm s ILE 174 Ca 0.33 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 3kwm s ILE 174 Cb 0.01 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3kwm s ILE 174 CO 0.17 0.55 0.04 -0.76 -1.23 0.00 0.00 174.94 173.71 3kwm s LEU 175 N -0.17 3.49 -0.23 2.97 1.43 0.35 -1.38 118.68 125.14 3kwm s LEU 175 Ca 0.00 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 3kwm s LEU 175 Cb -0.13 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3kwm s LEU 175 CO 0.03 0.07 0.26 -1.81 0.23 0.00 0.00 176.35 175.13 3kwm s ASP 176 N 0.95 6.24 -0.27 2.29 1.01 0.32 -0.31 116.67 126.91 3kwm s ASP 176 Ca 0.03 0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.49 3kwm s ASP 176 Cb -0.14 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 3kwm s ASP 176 CO 0.02 -0.00 0.05 -0.69 0.21 0.00 0.00 175.17 174.76 3kwm s VAL 177 N 1.22 3.91 0.49 -1.27 1.01 0.20 0.22 120.40 126.17 3kwm s VAL 177 Ca 0.12 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3kwm s VAL 177 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.33 3kwm s VAL 177 CO 0.06 0.21 0.69 -0.31 0.00 0.00 0.00 175.10 175.75 3kwm s TYR 178 N 1.52 2.96 0.00 5.22 2.02 -0.32 -1.21 117.35 127.54 3kwm s TYR 178 Ca 0.04 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3kwm s TYR 178 Cb -0.16 -2.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3kwm s TYR 178 CO 0.01 -0.60 0.00 -1.71 -1.57 0.00 0.00 175.55 171.69 3kwm n ASN 179 N -2.14 -3.20 -4.71 2.29 5.15 -1.26 -1.34 115.26 110.05 3kwm n ASN 179 Ca 0.06 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.62 3kwm n ASN 179 Cb 0.59 -1.97 -0.03 0.00 -0.53 0.00 0.00 39.78 37.83 3kwm n ASN 179 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kwm s LEU 180 N 0.00 4.34 -0.75 1.20 2.96 -1.26 -4.86 118.68 120.31 3kwm s LEU 180 Ca 0.00 1.52 -0.03 0.00 -0.22 0.00 0.00 54.13 55.39 3kwm s LEU 180 Cb 0.00 -3.44 0.19 0.00 0.50 0.00 0.00 46.19 43.44 3kwm s LEU 180 CO 0.00 -0.24 0.61 -0.75 -1.32 0.00 0.00 176.35 174.65 3kwm s LYS 181 N 1.05 2.96 -1.27 1.98 2.20 -1.26 -4.39 119.74 120.99 3kwm s LYS 181 Ca 0.48 -2.83 -0.18 0.00 -0.36 0.00 0.00 55.97 53.08 3kwm s LYS 181 Cb -0.20 -3.89 0.01 0.00 -1.51 0.00 0.00 37.83 32.24 3kwm s LYS 181 CO 0.24 -1.22 1.98 -0.89 -0.36 0.00 0.00 175.35 175.11 3kwm n ILE 182 N 3.06 3.21 0.15 5.43 5.41 -0.77 -4.70 119.36 131.15 3kwm n ILE 182 Ca 0.14 -3.07 -0.00 0.00 1.00 0.00 0.00 62.75 60.82 3kwm n ILE 182 Cb 0.38 -2.43 0.24 0.00 -0.71 0.00 0.00 39.64 37.12 3kwm n ILE 182 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kwm h ASP 183 N 7.23 0.04 -2.59 4.38 3.32 -1.95 -3.35 116.42 123.50 3kwm h ASP 183 Ca 0.47 -0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.90 3kwm h ASP 183 Cb 0.76 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.89 3kwm h ASP 183 CO 1.68 0.55 -0.77 -3.20 -1.72 0.00 0.00 179.24 175.78 3kwm n ASN 184 N -3.93 1.67 -0.32 6.45 2.85 -1.26 -4.99 115.26 115.73 3kwm n ASN 184 Ca -0.02 -2.92 0.08 0.00 -0.11 0.00 0.00 54.58 51.61 3kwm n ASN 184 Cb 0.53 -0.66 0.24 0.00 1.24 0.00 0.00 39.78 41.12 3kwm n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kwm h PRO 185 N 5.12 0.73 -0.65 1.20 0.11 -1.98 -1.49 132.00 135.04 3kwm h PRO 185 Ca 0.19 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.28 3kwm h PRO 185 Cb 0.80 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 3kwm h PRO 185 CO 0.59 0.49 0.40 -0.07 -0.21 0.00 0.00 178.00 179.20 3kwm h LEU 186 N 0.76 0.66 -0.01 2.35 3.38 -1.94 0.74 115.31 121.24 3kwm h LEU 186 Ca 0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 3kwm h LEU 186 Cb 0.62 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kwm h LEU 186 CO -0.33 0.46 -0.01 0.50 0.09 0.00 0.00 178.44 179.16 3kwm h LYS 187 N 0.79 0.03 -0.35 1.13 3.64 -1.81 -2.41 116.57 117.58 3kwm h LYS 187 Ca 0.26 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3kwm h LYS 187 Cb 0.01 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3kwm h LYS 187 CO -0.10 0.45 -0.19 1.25 -2.27 0.00 0.00 179.45 178.59 3kwm h LEU 188 N -0.39 0.66 -0.54 5.20 5.85 -1.25 -1.16 115.31 123.68 3kwm h LEU 188 Ca 0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3kwm h LEU 188 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3kwm h LEU 188 CO 0.00 0.85 0.33 -0.08 -0.34 0.00 0.00 178.44 179.20 3kwm h GLU 189 N 0.59 0.72 -0.75 1.25 4.81 -0.88 -1.05 114.58 119.26 3kwm h GLU 189 Ca 0.09 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3kwm h GLU 189 Cb 0.65 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3kwm h GLU 189 CO 0.05 0.52 0.32 1.15 -0.73 0.00 0.00 179.01 180.32 3kwm h THR 190 N 0.72 1.25 -0.39 0.32 2.02 -1.20 -2.22 112.91 113.41 3kwm h THR 190 Ca 0.19 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 66.49 3kwm h THR 190 Cb -0.03 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3kwm h THR 190 CO -0.04 0.31 -0.25 -0.08 0.37 0.00 0.00 175.52 175.83 3kwm h GLU 191 N 1.08 0.85 -0.29 6.66 4.57 -0.85 -3.09 114.58 123.51 3kwm h GLU 191 Ca 0.25 -0.40 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 3kwm h GLU 191 Cb 0.18 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3kwm h GLU 191 CO -0.03 1.04 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.49 3kwm h LEU 192 N 0.66 0.61 -2.34 1.64 3.38 -1.18 -2.47 115.31 115.61 3kwm h LEU 192 Ca 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kwm h LEU 192 Cb 0.83 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kwm h LEU 192 CO 0.07 0.87 0.15 0.78 0.09 0.00 0.00 178.44 180.40 3kwm h ASN 193 N 0.52 0.00 0.82 -0.43 2.35 -1.32 -2.35 115.58 115.17 3kwm h ASN 193 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3kwm h ASN 193 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3kwm h ASN 193 CO 0.06 0.00 -0.45 0.00 -1.65 0.00 0.00 177.43 175.39 3kwm n GLN 194 N -2.87 0.16 -2.82 0.81 1.13 -0.93 -4.86 117.38 108.00 3kwm n GLN 194 Ca -0.02 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 3kwm n GLN 194 Cb 0.20 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3kwm n GLN 194 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kwm s ILE 195 N -3.09 4.83 0.10 5.09 1.01 -0.88 -4.99 121.20 123.27 3kwm s ILE 195 Ca 0.09 1.77 -0.31 0.00 0.00 0.00 0.00 60.65 62.20 3kwm s ILE 195 Cb 0.15 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3kwm s ILE 195 CO 0.68 -0.01 1.63 -0.89 0.00 0.00 0.00 174.94 176.35 3kwm s THR 196 N 2.26 2.90 0.00 2.92 2.01 -1.26 -2.19 115.64 122.28 3kwm s THR 196 Ca 0.41 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.88 3kwm s THR 196 Cb -0.17 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3kwm s THR 196 CO 0.13 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 3kwm n GLY 197 N 3.93 1.06 3.69 4.40 0.00 -1.26 -4.83 105.19 112.17 3kwm n GLY 197 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kwm n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwm s VAL 198 N -2.26 3.84 -0.08 1.61 1.01 -0.93 -0.78 120.40 122.81 3kwm s VAL 198 Ca 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 3kwm s VAL 198 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3kwm s VAL 198 CO 0.00 -0.00 -0.05 0.58 0.00 0.00 0.00 175.10 175.63 3kwm h VAL 199 N 4.93 0.00 -3.80 2.92 2.07 -0.98 -3.48 116.25 117.91 3kwm h VAL 199 Ca -0.37 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 3kwm h VAL 199 Cb 1.17 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.77 3kwm h VAL 199 CO 0.90 0.00 -0.53 0.42 0.02 0.00 0.00 177.57 178.38 3kwm s THR 200 N -1.57 0.13 0.24 2.57 -4.23 -1.21 -5.03 115.64 106.54 3kwm s THR 200 Ca -0.04 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 3kwm s THR 200 Cb 0.01 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 3kwm s THR 200 CO 0.06 -0.59 0.24 0.54 -0.54 0.00 0.00 174.62 174.32 3kwm s ASN 201 N -2.09 5.74 0.00 3.99 2.20 -1.26 -1.49 114.94 122.04 3kwm s ASN 201 Ca -0.05 -0.15 0.12 0.00 -0.94 0.00 0.00 52.86 51.83 3kwm s ASN 201 Cb -0.02 -1.53 0.71 0.00 -2.00 0.00 0.00 41.25 38.41 3kwm s ASN 201 CO -0.04 -0.04 1.38 0.61 -2.94 0.00 0.00 177.10 176.07 3kwm n GLY 202 N -1.17 -0.91 3.63 0.45 0.00 0.56 -4.75 105.19 103.00 3kwm n GLY 202 Ca -0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3kwm n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kwm s ILE 203 N -2.00 4.80 -0.75 -0.61 1.01 -1.26 -0.08 121.20 122.31 3kwm s ILE 203 Ca 0.18 1.44 -0.09 0.00 0.00 0.00 0.00 60.65 62.18 3kwm s ILE 203 Cb 0.08 -4.15 0.19 0.00 0.01 0.00 0.00 42.46 38.60 3kwm s ILE 203 CO 0.14 -0.16 0.63 -0.36 0.00 0.00 0.00 174.94 175.18 3kwm s PHE 204 N 2.94 3.61 0.00 3.97 2.99 -0.27 -4.78 117.98 126.43 3kwm s PHE 204 Ca 0.35 -2.36 0.00 0.00 0.00 0.00 0.00 56.93 54.92 3kwm s PHE 204 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 43.02 39.35 3kwm s PHE 204 CO 0.10 -0.92 0.00 0.00 -0.00 0.00 0.00 175.22 174.40 3kwm n ALA 205 N 3.68 1.99 -0.21 5.36 0.00 -1.26 -1.44 120.51 128.63 3kwm n ALA 205 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 3kwm n ALA 205 Cb 0.43 0.21 0.22 0.00 0.00 0.00 0.00 19.45 20.30 3kwm n ALA 205 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kwm h LEU 206 N 0.00 0.87 -7.44 0.00 3.38 -1.90 -3.20 115.31 107.02 3kwm h LEU 206 Ca 0.00 -0.05 -0.64 0.00 0.09 0.00 0.00 57.88 57.28 3kwm h LEU 206 Cb 0.42 -0.22 -0.40 0.00 0.09 0.00 0.00 40.66 40.55 3kwm h LEU 206 CO 0.00 0.68 -0.71 -0.75 0.09 0.00 0.00 178.44 177.75 3kwm s LYS 207 N -5.72 1.41 0.91 1.13 2.20 -1.26 -5.13 119.74 113.28 3kwm s LYS 207 Ca -0.11 -1.89 -0.11 0.00 -0.36 0.00 0.00 55.97 53.50 3kwm s LYS 207 Cb 0.17 -2.90 0.20 0.00 -1.51 0.00 0.00 37.83 33.80 3kwm s LYS 207 CO 0.79 -1.01 1.25 -1.25 -0.36 0.00 0.00 175.35 174.77 3kwm s PRO 208 N 0.74 0.73 0.43 4.03 0.04 -1.21 -4.86 135.00 134.90 3kwm s PRO 208 Ca 0.13 -0.77 -0.26 0.00 0.04 0.00 0.00 61.00 60.13 3kwm s PRO 208 Cb -0.21 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3kwm s PRO 208 CO -0.09 -2.26 1.39 0.00 0.04 0.00 0.00 177.00 176.09 3kwm s ALA 209 N -3.70 3.28 -0.01 8.56 0.00 -0.35 -4.93 121.76 124.60 3kwm s ALA 209 Ca 0.74 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 54.02 3kwm s ALA 209 Cb -0.03 -3.56 -0.30 0.00 0.00 0.00 0.00 23.12 19.23 3kwm s ALA 209 CO 0.51 -1.06 0.81 -0.44 0.00 0.00 0.00 175.76 175.58 3kwm h ASP 210 N 2.51 0.54 -3.73 0.00 3.32 -1.41 -3.46 116.42 114.19 3kwm h ASP 210 Ca -0.50 -0.74 -0.28 0.00 0.02 0.00 0.00 57.03 55.53 3kwm h ASP 210 Cb 1.26 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 3kwm h ASP 210 CO 0.62 1.61 -0.74 -0.89 -1.72 0.00 0.00 179.24 178.12 3kwm s THR 211 N -2.60 0.15 -0.17 0.35 2.01 -0.96 -5.02 115.64 109.40 3kwm s THR 211 Ca -0.11 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3kwm s THR 211 Cb 0.06 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.42 3kwm s THR 211 CO 0.87 0.07 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.99 3kwm s VAL 212 N 0.21 2.28 -0.34 3.82 1.01 -0.25 -0.35 120.40 126.78 3kwm s VAL 212 Ca -0.02 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 3kwm s VAL 212 Cb -0.04 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kwm s VAL 212 CO -0.01 0.53 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 3kwm s ILE 213 N 1.09 4.21 -0.20 2.22 1.01 0.16 -0.03 121.20 129.67 3kwm s ILE 213 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3kwm s ILE 213 Cb -0.14 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3kwm s ILE 213 CO -0.07 -0.13 -0.10 -0.32 0.00 0.00 0.00 174.94 174.32 3kwm s MET 214 N 1.50 3.25 -0.19 2.79 1.75 0.11 -1.95 119.30 126.56 3kwm s MET 214 Ca 0.01 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.53 3kwm s MET 214 Cb -0.19 -2.84 -0.02 0.00 2.84 0.00 0.00 34.83 34.63 3kwm s MET 214 CO 0.05 -0.17 0.73 0.00 -0.65 0.00 0.00 175.02 174.98 3kwm s ALA 215 N 1.33 3.54 0.62 4.11 0.00 -0.60 -0.09 121.76 130.67 3kwm s ALA 215 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 3kwm s ALA 215 Cb -0.14 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.91 3kwm s ALA 215 CO -0.06 -0.63 0.90 0.95 0.00 0.00 0.00 175.76 176.92 3kwm s THR 216 N 2.10 2.64 0.34 0.00 -4.23 0.18 -0.72 115.64 115.96 3kwm s THR 216 Ca 0.33 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.58 3kwm s THR 216 Cb -0.16 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 70.94 3kwm s THR 216 CO 0.11 -0.06 1.69 0.11 -0.54 0.00 0.00 174.62 175.92 3kwm h LYS 217 N -0.26 0.39 -0.78 3.99 1.57 -1.97 -1.34 116.57 118.18 3kwm h LYS 217 Ca -0.44 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.23 3kwm h LYS 217 Cb 1.30 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 3kwm h LYS 217 CO 0.57 0.26 0.11 -0.25 -0.57 0.00 0.00 179.45 179.58 3kwm n ASP 218 N -4.97 4.14 -2.69 0.86 9.92 -1.26 -4.89 116.55 117.65 3kwm n ASP 218 Ca 0.30 -2.77 -0.20 0.00 -0.53 0.00 0.00 54.79 51.59 3kwm n ASP 218 Cb 0.92 -0.66 0.01 0.00 -0.64 0.00 0.00 41.12 40.74 3kwm n ASP 218 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kwm n SER 219 N 0.17 -5.52 -4.95 -2.24 7.64 -0.50 -5.01 113.62 103.21 3kwm n SER 219 Ca 0.25 -0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 3kwm n SER 219 Cb 1.02 -4.55 -0.03 0.00 -1.01 0.00 0.00 64.21 59.64 3kwm n SER 219 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kwm s ASN 220 N -2.32 6.34 -0.22 6.43 0.02 -1.26 -4.88 114.94 119.05 3kwm s ASN 220 Ca 0.13 0.19 -0.10 0.00 -1.02 0.00 0.00 52.86 52.07 3kwm s ASN 220 Cb -0.06 -1.92 -0.05 0.00 0.02 0.00 0.00 41.25 39.25 3kwm s ASN 220 CO 0.17 0.00 0.13 -0.63 0.02 0.00 0.00 177.10 176.79 3kwm s ILE 221 N -1.82 5.17 -0.15 0.60 -1.09 -1.26 -0.65 121.20 122.00 3kwm s ILE 221 Ca 0.35 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 3kwm s ILE 221 Cb -0.11 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3kwm s ILE 221 CO 0.29 0.38 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.60 3kwm s VAL 222 N 0.84 3.35 -0.22 2.92 1.01 0.87 -4.97 120.40 124.19 3kwm s VAL 222 Ca 0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3kwm s VAL 222 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kwm s VAL 222 CO 0.02 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 174.94 3kwm s VAL 223 N 0.48 3.77 -2.90 2.92 1.01 -1.26 0.06 120.40 124.49 3kwm s VAL 223 Ca -0.07 -0.36 0.25 0.00 0.00 0.00 0.00 61.98 61.80 3kwm s VAL 223 Cb -0.15 -2.73 0.26 0.00 0.00 0.00 0.00 36.38 33.76 3kwm s VAL 223 CO 0.04 0.40 1.36 0.18 0.00 0.00 0.00 175.10 177.07