#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwz n PRO 2 N 0.00 1.55 -3.99 0.00 -0.02 -1.26 -2.81 135.00 128.47 3kwz n PRO 2 Ca 0.00 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3kwz n PRO 2 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 3kwz n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3kwz n ASP 3 N -1.22 -4.19 -3.99 2.55 2.03 -1.26 -5.01 116.55 105.46 3kwz n ASP 3 Ca 0.12 -0.84 -0.09 0.00 0.52 0.00 0.00 54.79 54.51 3kwz n ASP 3 Cb 0.45 -3.38 -0.10 0.00 -0.72 0.00 0.00 41.12 37.38 3kwz n ASP 3 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3kwz s SER 4 N -3.24 0.29 -0.03 1.67 1.04 -1.12 -4.67 113.70 107.64 3kwz s SER 4 Ca 0.68 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 3kwz s SER 4 Cb -0.36 0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.96 3kwz s SER 4 CO 0.84 -0.49 0.12 0.54 0.98 0.00 0.00 173.24 175.23 3kwz s VAL 5 N -2.75 0.04 -0.30 5.02 0.11 -0.70 -4.82 120.40 117.01 3kwz s VAL 5 Ca -0.04 -0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 3kwz s VAL 5 Cb -0.00 -0.29 0.09 0.00 -1.53 0.00 0.00 36.38 34.65 3kwz s VAL 5 CO -0.05 -0.18 0.07 -0.62 -3.33 0.00 0.00 175.10 170.99 3kwz s ASP 6 N -0.59 4.02 0.40 3.54 -1.08 -1.26 -1.32 116.67 120.38 3kwz s ASP 6 Ca -0.07 -1.60 0.28 0.00 -0.52 0.00 0.00 52.55 50.65 3kwz s ASP 6 Cb -0.04 -0.97 1.34 0.00 -1.46 0.00 0.00 42.92 41.79 3kwz s ASP 6 CO 0.01 -0.39 1.86 1.88 0.52 0.00 0.00 175.17 179.05 3kwz h TYR 7 N 8.03 0.00 -0.41 -5.34 0.05 -1.54 -2.52 116.97 115.23 3kwz h TYR 7 Ca -0.13 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 3kwz h TYR 7 Cb 1.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3kwz h TYR 7 CO 0.38 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.47 3kwz h ARG 8 N 0.00 0.67 0.00 4.88 3.08 -1.93 -1.97 114.38 119.12 3kwz h ARG 8 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kwz h ARG 8 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kwz h ARG 8 CO 0.00 0.71 0.00 0.87 -1.07 0.00 0.00 179.97 180.48 3kwz h LYS 9 N 0.63 0.00 -0.39 0.04 1.57 -1.85 -3.23 116.57 113.35 3kwz h LYS 9 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kwz h LYS 9 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kwz h LYS 9 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3kwz n LYS 10 N -2.83 2.45 -0.92 3.15 5.02 -0.77 -4.96 118.16 119.30 3kwz n LYS 10 Ca 0.02 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 3kwz n LYS 10 Cb 0.32 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3kwz n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwz n GLY 11 N 1.48 0.49 0.09 0.72 0.00 -1.11 -4.94 105.19 101.92 3kwz n GLY 11 Ca 0.19 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kwz n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwz n TYR 12 N -2.92 0.00 -4.31 1.61 4.02 -1.00 -4.79 117.16 109.76 3kwz n TYR 12 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3kwz n TYR 12 Cb 0.00 -0.22 -0.17 0.00 -0.02 0.00 0.00 39.34 38.93 3kwz n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kwz s VAL 13 N -2.79 1.64 0.87 -0.72 1.01 -1.26 -3.39 120.40 115.76 3kwz s VAL 13 Ca 0.17 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3kwz s VAL 13 Cb 0.18 -1.50 0.12 0.00 0.00 0.00 0.00 36.38 35.18 3kwz s VAL 13 CO 0.61 0.47 1.20 0.42 0.00 0.00 0.00 175.10 177.80 3kwz s THR 14 N 1.16 1.99 0.59 3.92 -4.23 -1.26 -4.95 115.64 112.86 3kwz s THR 14 Ca -0.02 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.30 3kwz s THR 14 Cb -0.14 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 3kwz s THR 14 CO -0.06 0.00 1.07 -2.65 -0.54 0.00 0.00 174.62 172.44 3kwz n PRO 15 N -3.51 1.08 -1.73 3.99 -0.02 -1.26 -4.95 135.00 128.61 3kwz n PRO 15 Ca 0.09 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3kwz n PRO 15 Cb 0.60 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3kwz n PRO 15 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kwz n VAL 16 N -1.55 1.56 -3.86 -1.45 0.31 -1.26 -5.02 118.33 107.06 3kwz n VAL 16 Ca 0.13 -0.39 -0.23 0.00 -0.01 0.00 0.00 64.34 63.85 3kwz n VAL 16 Cb 0.46 -1.76 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 3kwz n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kwz s LYS 17 N -1.32 2.39 -0.22 5.55 -0.14 -1.26 -4.60 119.74 120.14 3kwz s LYS 17 Ca 0.59 -1.67 0.01 0.00 -1.36 0.00 0.00 55.97 53.55 3kwz s LYS 17 Cb -0.54 -2.19 0.05 0.00 -1.68 0.00 0.00 37.83 33.47 3kwz s LYS 17 CO 0.57 -0.13 -0.07 1.21 -0.76 0.00 0.00 175.35 176.17 3kwz s ASN 18 N -4.01 3.70 0.33 2.83 3.84 -1.26 -0.88 114.94 119.49 3kwz s ASN 18 Ca 0.44 -1.08 0.25 0.00 0.21 0.00 0.00 52.86 52.69 3kwz s ASN 18 Cb -0.00 -1.20 1.14 0.00 -0.55 0.00 0.00 41.25 40.64 3kwz s ASN 18 CO 0.25 -0.20 1.77 0.06 -2.79 0.00 0.00 177.10 176.19 3kwz h GLN 19 N 7.96 0.00 0.00 0.43 3.07 -1.48 -3.47 115.11 121.62 3kwz h GLN 19 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.53 3kwz h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3kwz h GLN 19 CO 0.43 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.76 3kwz n GLY 20 N -0.34 0.42 0.05 0.06 0.00 -1.26 -3.03 105.19 101.10 3kwz n GLY 20 Ca 0.01 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.26 3kwz n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kwz n GLN 21 N 9.31 0.81 -3.16 1.61 1.13 -1.26 -4.88 117.38 120.93 3kwz n GLN 21 Ca 0.00 -0.11 -0.39 0.00 -1.94 0.00 0.00 57.00 54.56 3kwz n GLN 21 Cb 0.00 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 3kwz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kwz n GLY 23 N 1.90 3.83 1.66 0.00 0.00 -0.10 -4.57 105.19 107.92 3kwz n GLY 23 Ca -0.08 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.51 3kwz n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwz n SER 24 N 2.41 5.21 -0.34 1.61 3.41 -1.26 -2.48 113.62 122.17 3kwz n SER 24 Ca 0.56 -2.81 0.23 0.00 -0.26 0.00 0.00 58.87 56.59 3kwz n SER 24 Cb 0.59 -0.63 0.46 0.00 -0.26 0.00 0.00 64.21 64.37 3kwz n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwz h TRP 26 N 0.37 0.00 0.08 0.00 5.08 -1.82 0.14 115.95 119.80 3kwz h TRP 26 Ca 0.72 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.43 3kwz h TRP 26 Cb 1.61 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.77 3kwz h TRP 26 CO -0.01 0.27 -1.13 0.00 -1.28 0.00 0.00 178.44 176.30 3kwz h ALA 27 N 1.73 0.20 -0.25 0.11 0.00 -1.10 -1.37 119.26 118.58 3kwz h ALA 27 Ca -0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 54.91 53.92 3kwz h ALA 27 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kwz h ALA 27 CO 0.04 0.90 -0.54 0.74 0.00 0.00 0.00 179.25 180.38 3kwz h PHE 28 N 0.14 1.02 0.16 0.00 0.04 -1.12 -1.21 116.94 115.96 3kwz h PHE 28 Ca -0.12 -0.38 0.01 0.00 2.80 0.00 0.00 57.97 60.28 3kwz h PHE 28 Cb 1.82 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.76 3kwz h PHE 28 CO 0.06 1.19 -0.20 1.03 -0.60 0.00 0.00 178.31 179.80 3kwz h SER 29 N 0.55 -0.55 -0.15 2.17 0.87 -0.99 -0.96 113.55 114.49 3kwz h SER 29 Ca 0.00 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3kwz h SER 29 Cb 1.15 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3kwz h SER 29 CO 0.12 -0.29 0.02 0.28 -0.53 0.00 0.00 176.83 176.42 3kwz h SER 30 N -0.41 -0.01 -0.49 6.23 0.02 -1.23 -2.29 113.55 115.37 3kwz h SER 30 Ca 0.01 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3kwz h SER 30 Cb 0.41 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3kwz h SER 30 CO -0.08 0.02 0.13 -0.37 -1.14 0.00 0.00 176.83 175.39 3kwz h VAL 31 N 0.08 1.23 -0.24 2.27 -1.51 -1.21 -1.87 116.25 115.00 3kwz h VAL 31 Ca 0.07 -0.83 0.05 0.00 -1.23 0.00 0.00 66.70 64.76 3kwz h VAL 31 Cb 0.07 0.67 -0.04 0.00 -2.13 0.00 0.00 31.29 29.86 3kwz h VAL 31 CO -0.10 0.31 -0.06 1.23 -1.23 0.00 0.00 177.57 177.72 3kwz h GLY 32 N 0.97 0.17 0.92 5.19 0.00 -0.77 0.38 103.07 109.93 3kwz h GLY 32 Ca 0.18 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3kwz h GLY 32 CO -0.00 -0.09 0.06 0.00 0.00 0.00 0.00 176.54 176.52 3kwz h ALA 33 N 1.23 0.48 -0.48 3.60 0.00 -1.29 -2.27 119.26 120.53 3kwz h ALA 33 Ca 0.11 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kwz h ALA 33 Cb 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3kwz h ALA 33 CO -0.24 0.18 0.14 -0.07 0.00 0.00 0.00 179.25 179.25 3kwz h LEU 34 N 0.44 0.09 -0.63 0.00 3.38 -1.19 -2.25 115.31 115.16 3kwz h LEU 34 Ca 0.11 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3kwz h LEU 34 Cb 0.35 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3kwz h LEU 34 CO 0.01 0.08 0.25 -0.33 0.09 0.00 0.00 178.44 178.54 3kwz h GLU 35 N 0.29 0.44 -0.49 1.13 5.08 -0.12 -0.25 114.58 120.66 3kwz h GLU 35 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kwz h GLU 35 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3kwz h GLU 35 CO -0.28 0.29 0.31 0.78 -1.00 0.00 0.00 179.01 179.11 3kwz h GLY 36 N 0.45 0.70 1.70 -3.84 0.00 -1.25 -2.16 103.07 98.67 3kwz h GLY 36 Ca 0.31 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 3kwz h GLY 36 CO -0.29 0.27 -0.46 1.46 0.00 0.00 0.00 176.54 177.52 3kwz h GLN 37 N 0.66 0.32 -0.27 4.80 1.08 -1.00 -1.30 115.11 119.40 3kwz h GLN 37 Ca 0.18 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3kwz h GLN 37 Cb -0.04 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 3kwz h GLN 37 CO -0.04 0.72 0.05 1.25 -0.95 0.00 0.00 178.83 179.86 3kwz h LEU 38 N 0.26 0.00 -0.45 1.46 5.85 -0.88 0.20 115.31 121.75 3kwz h LEU 38 Ca 0.02 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3kwz h LEU 38 Cb 0.91 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3kwz h LEU 38 CO 0.08 0.04 0.10 0.50 -0.34 0.00 0.00 178.44 178.81 3kwz h LYS 39 N 0.15 0.73 -0.33 1.25 1.63 -1.27 -0.07 116.57 118.65 3kwz h LYS 39 Ca 0.12 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3kwz h LYS 39 Cb 0.13 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3kwz h LYS 39 CO -0.17 0.73 0.09 -0.22 -3.45 0.00 0.00 179.45 176.43 3kwz h LYS 40 N 0.60 0.21 0.20 1.90 1.63 -1.01 -0.90 116.57 119.20 3kwz h LYS 40 Ca 0.14 -0.01 -0.35 0.00 -0.85 0.00 0.00 60.65 59.58 3kwz h LYS 40 Cb 0.34 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3kwz h LYS 40 CO 0.00 0.14 -1.69 0.87 -3.45 0.00 0.00 179.45 175.33 3kwz h LYS 41 N 0.22 0.42 0.00 1.90 1.79 -0.87 -3.39 116.57 116.63 3kwz h LYS 41 Ca 0.15 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 3kwz h LYS 41 Cb 0.15 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3kwz h LYS 41 CO -0.18 1.33 -0.74 0.25 -1.08 0.00 0.00 179.45 179.04 3kwz n THR 42 N -3.61 0.00 -0.09 -0.16 -2.24 -0.05 -5.00 114.28 103.13 3kwz n THR 42 Ca -0.23 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3kwz n THR 42 Cb 1.08 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 3kwz n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwz n GLY 43 N 1.36 2.11 3.14 3.38 0.00 -0.34 -5.02 105.19 109.82 3kwz n GLY 43 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3kwz n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwz s LYS 44 N -0.24 0.70 0.30 1.61 -2.85 -1.26 -4.94 119.74 113.06 3kwz s LYS 44 Ca 0.00 -1.10 0.03 0.00 -1.00 0.00 0.00 55.97 53.90 3kwz s LYS 44 Cb 0.00 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 3kwz s LYS 44 CO 0.00 -0.17 0.10 -0.48 0.10 0.00 0.00 175.35 174.89 3kwz s LEU 45 N -2.86 1.86 0.18 2.77 0.05 -1.26 -3.15 118.68 116.26 3kwz s LEU 45 Ca 0.06 -1.44 -0.07 0.00 0.05 0.00 0.00 54.13 52.73 3kwz s LEU 45 Cb 0.06 -0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 44.08 3kwz s LEU 45 CO -0.10 -0.73 0.25 -1.48 -0.55 0.00 0.00 176.35 173.73 3kwz s LEU 46 N -3.41 1.02 0.12 1.48 0.05 -1.26 -5.05 118.68 111.63 3kwz s LEU 46 Ca 0.36 -1.03 -0.31 0.00 0.05 0.00 0.00 54.13 53.19 3kwz s LEU 46 Cb 0.07 0.99 -0.10 0.00 -2.05 0.00 0.00 46.19 45.10 3kwz s LEU 46 CO 0.15 -0.90 1.80 0.20 -0.55 0.00 0.00 176.35 177.05 3kwz s ASN 47 N -3.03 6.44 0.37 1.48 0.02 -1.26 -4.86 114.94 114.11 3kwz s ASN 47 Ca 0.23 2.73 0.03 0.00 -1.02 0.00 0.00 52.86 54.83 3kwz s ASN 47 Cb 0.04 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.73 3kwz s ASN 47 CO 0.04 -0.99 0.55 -0.76 0.02 0.00 0.00 177.10 175.97 3kwz s LEU 48 N 2.62 3.89 -0.62 0.60 1.43 -1.26 -1.31 118.68 124.04 3kwz s LEU 48 Ca 0.80 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 3kwz s LEU 48 Cb -0.45 -3.04 0.05 0.00 0.03 0.00 0.00 46.19 42.77 3kwz s LEU 48 CO 0.36 -0.47 0.99 -0.55 0.23 0.00 0.00 176.35 176.91 3kwz s SER 49 N -4.14 6.25 0.41 2.29 0.15 -0.65 -3.81 113.70 114.20 3kwz s SER 49 Ca 0.44 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.52 3kwz s SER 49 Cb -0.10 -2.44 0.86 0.00 -1.71 0.00 0.00 66.02 62.64 3kwz s SER 49 CO 0.35 -1.38 2.05 1.55 1.20 0.00 0.00 173.24 177.00 3kwz h PRO 50 N 9.50 0.51 -0.65 5.44 0.13 -1.86 -3.07 132.00 142.00 3kwz h PRO 50 Ca -0.27 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3kwz h PRO 50 Cb 1.07 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 3kwz h PRO 50 CO 1.15 0.35 0.13 0.37 -0.23 0.00 0.00 178.00 179.77 3kwz h GLN 51 N 0.53 1.05 -0.62 0.86 5.75 -1.86 -0.23 115.11 120.59 3kwz h GLN 51 Ca 0.14 -0.26 0.12 0.00 -0.15 0.00 0.00 58.65 58.50 3kwz h GLN 51 Cb -0.04 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 28.28 3kwz h GLN 51 CO -0.03 0.95 0.06 -0.97 -2.65 0.00 0.00 178.83 176.20 3kwz h ASN 52 N 1.00 -0.15 0.13 -0.69 -0.00 -1.76 -0.90 115.58 113.21 3kwz h ASN 52 Ca 0.20 0.14 -0.01 0.00 -0.00 0.00 0.00 56.30 56.63 3kwz h ASN 52 Cb 0.40 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.94 3kwz h ASN 52 CO 0.01 -0.06 -0.06 -0.07 -0.00 0.00 0.00 177.43 177.24 3kwz h LEU 53 N 0.18 -0.15 -0.52 0.34 3.38 -1.28 -1.69 115.31 115.57 3kwz h LEU 53 Ca 0.33 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.13 3kwz h LEU 53 Cb 0.52 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 3kwz h LEU 53 CO -0.48 0.20 -0.08 0.58 0.09 0.00 0.00 178.44 178.75 3kwz h VAL 54 N -0.52 0.52 -0.05 1.22 2.07 -0.96 -1.15 116.25 117.39 3kwz h VAL 54 Ca -0.02 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 3kwz h VAL 54 Cb 0.41 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3kwz h VAL 54 CO 0.03 0.01 -0.63 0.44 0.02 0.00 0.00 177.57 177.44 3kwz h ASP 55 N 0.04 0.21 0.00 0.57 3.32 -1.20 -3.39 116.42 115.97 3kwz h ASP 55 Ca 0.26 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3kwz h ASP 55 Cb 0.40 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3kwz h ASP 55 CO -0.50 0.78 -0.84 0.00 -1.72 0.00 0.00 179.24 176.97 3kwz s VAL 57 N -1.98 4.28 -0.14 0.00 1.01 -0.47 -4.86 120.40 118.25 3kwz s VAL 57 Ca -0.00 -1.14 0.30 0.00 0.00 0.00 0.00 61.98 61.13 3kwz s VAL 57 Cb 0.03 -4.94 0.36 0.00 0.00 0.00 0.00 36.38 31.83 3kwz s VAL 57 CO 0.18 -1.75 1.85 0.77 0.00 0.00 0.00 175.10 176.15 3kwz h SER 58 N 9.34 0.00 1.13 3.32 4.64 -1.88 -2.43 113.55 127.67 3kwz h SER 58 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3kwz h SER 58 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3kwz h SER 58 CO 1.29 0.00 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.92 3kwz h GLU 59 N 0.00 0.00 -6.68 4.77 3.07 -1.95 -3.44 114.58 110.35 3kwz h GLU 59 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3kwz h GLU 59 Cb 0.64 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.58 3kwz h GLU 59 CO 0.00 0.00 -0.09 -0.80 -1.40 0.00 0.00 179.01 176.72 3kwz s ASN 60 N -5.75 5.09 -0.35 1.42 0.02 -0.91 -4.96 114.94 109.48 3kwz s ASN 60 Ca 0.02 -0.70 0.07 0.00 -1.02 0.00 0.00 52.86 51.22 3kwz s ASN 60 Cb 0.08 0.09 0.54 0.00 0.02 0.00 0.00 41.25 41.99 3kwz s ASN 60 CO 0.56 -1.32 1.59 -0.67 0.02 0.00 0.00 177.10 177.27 3kwz n ASP 61 N -2.27 3.22 0.00 -1.22 2.03 0.26 -4.99 116.55 113.59 3kwz n ASP 61 Ca 0.14 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.70 3kwz n ASP 61 Cb 0.61 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 3kwz n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kwz n GLY 62 N -1.10 3.02 0.12 0.27 0.00 -1.24 -0.15 105.19 106.11 3kwz n GLY 62 Ca 0.42 0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.88 3kwz n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwz n GLY 64 N 1.04 0.65 0.00 0.00 0.00 0.79 -0.92 105.19 106.76 3kwz n GLY 64 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kwz n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwz n GLY 65 N 1.22 0.92 0.00 -0.02 0.00 -1.03 -4.85 105.19 101.42 3kwz n GLY 65 Ca 0.17 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3kwz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwz n GLY 66 N -0.36 0.05 3.40 -0.02 0.00 -1.26 -0.57 105.19 106.42 3kwz n GLY 66 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 3kwz n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwz s TYR 67 N -2.00 2.45 0.14 1.61 1.51 -1.26 -4.72 117.35 115.09 3kwz s TYR 67 Ca 0.00 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.61 3kwz s TYR 67 Cb 0.00 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3kwz s TYR 67 CO 0.00 0.17 1.54 0.52 -1.11 0.00 0.00 175.55 176.68 3kwz h MET 68 N 4.77 0.89 -0.68 -0.62 2.86 -1.96 -3.17 114.93 117.02 3kwz h MET 68 Ca -0.47 -0.36 0.13 0.00 -2.06 0.00 0.00 59.70 56.94 3kwz h MET 68 Cb 1.15 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 3kwz h MET 68 CO 0.46 1.01 0.22 1.79 1.06 0.00 0.00 176.91 181.44 3kwz h THR 69 N 0.73 0.65 -0.77 2.22 1.35 -1.96 -1.00 112.91 114.12 3kwz h THR 69 Ca 0.11 -0.12 0.05 0.00 -0.55 0.00 0.00 66.41 65.90 3kwz h THR 69 Cb 0.69 0.26 -0.05 0.00 -1.73 0.00 0.00 68.15 67.33 3kwz h THR 69 CO 0.05 0.06 0.51 0.78 -0.25 0.00 0.00 175.52 176.67 3kwz h ASN 70 N 0.35 0.77 -0.36 5.36 -0.26 -1.98 -0.72 115.58 118.74 3kwz h ASN 70 Ca 0.37 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.97 3kwz h ASN 70 Cb 0.55 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3kwz h ASN 70 CO -0.40 0.51 -0.32 0.00 -1.06 0.00 0.00 177.43 176.16 3kwz h ALA 71 N 1.57 0.52 -0.50 -0.83 0.00 -1.21 -0.83 119.26 117.98 3kwz h ALA 71 Ca 0.32 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kwz h ALA 71 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kwz h ALA 71 CO -0.11 0.57 0.11 0.74 0.00 0.00 0.00 179.25 180.56 3kwz h PHE 72 N 0.63 0.86 -0.82 0.00 0.04 -0.92 -0.93 116.94 115.80 3kwz h PHE 72 Ca 0.06 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3kwz h PHE 72 Cb 0.90 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3kwz h PHE 72 CO 0.07 0.77 0.46 0.37 -0.60 0.00 0.00 178.31 179.38 3kwz h GLN 73 N 0.69 1.13 -0.04 1.51 5.75 -1.05 -2.19 115.11 120.91 3kwz h GLN 73 Ca 0.15 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3kwz h GLN 73 Cb 0.36 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 3kwz h GLN 73 CO 0.00 0.82 0.03 -0.92 -2.65 0.00 0.00 178.83 176.12 3kwz h TYR 74 N 1.13 0.05 -0.74 3.99 3.20 -0.77 -1.55 116.97 122.27 3kwz h TYR 74 Ca 0.29 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 3kwz h TYR 74 Cb 0.01 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3kwz h TYR 74 CO 0.00 0.03 0.23 0.28 -1.64 0.00 0.00 178.16 177.06 3kwz h VAL 75 N 0.06 1.26 0.27 1.81 2.07 -0.74 -0.05 116.25 120.93 3kwz h VAL 75 Ca 0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3kwz h VAL 75 Cb -0.01 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3kwz h VAL 75 CO -0.01 0.36 -0.25 -0.61 0.02 0.00 0.00 177.57 177.09 3kwz h GLN 76 N 1.11 -0.52 -0.31 1.57 4.15 -1.37 -1.78 115.11 117.96 3kwz h GLN 76 Ca 0.24 0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.61 3kwz h GLN 76 Cb 0.31 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 3kwz h GLN 76 CO -0.01 -0.35 -0.19 0.87 -1.93 0.00 0.00 178.83 177.23 3kwz h LYS 77 N -0.54 0.56 -0.00 1.69 6.56 -0.90 -2.65 116.57 121.29 3kwz h LYS 77 Ca -0.01 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 3kwz h LYS 77 Cb 0.49 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 3kwz h LYS 77 CO -0.04 0.72 -0.04 -1.71 -2.06 0.00 0.00 179.45 176.32 3kwz n ASN 78 N -4.15 0.07 -1.90 0.86 5.15 -0.06 -4.93 115.26 110.29 3kwz n ASN 78 Ca 0.00 0.10 -0.19 0.00 -0.60 0.00 0.00 54.58 53.89 3kwz n ASN 78 Cb 0.38 -0.33 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 3kwz n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kwz n ARG 79 N -1.36 -1.45 0.00 1.20 3.00 -0.93 -4.93 116.66 112.19 3kwz n ARG 79 Ca 0.11 1.02 0.00 0.00 -0.01 0.00 0.00 57.85 58.96 3kwz n ARG 79 Cb 0.29 -5.48 0.00 0.00 0.00 0.00 0.00 32.46 27.27 3kwz n ARG 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kwz n GLY 80 N -0.87 2.19 2.94 -0.13 0.00 -0.72 -4.90 105.19 103.70 3kwz n GLY 80 Ca -0.21 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 3kwz n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwz s ILE 81 N -2.00 0.42 0.78 -0.61 2.07 -0.89 -4.66 121.20 116.31 3kwz s ILE 81 Ca 0.00 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 58.93 3kwz s ILE 81 Cb 0.00 -0.37 0.06 0.00 0.13 0.00 0.00 42.46 42.28 3kwz s ILE 81 CO 0.00 0.13 1.08 -1.81 -1.91 0.00 0.00 174.94 172.44 3kwz s ASP 82 N 0.05 4.57 0.67 4.50 1.01 -1.26 -1.01 116.67 125.21 3kwz s ASP 82 Ca -0.00 1.55 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 3kwz s ASP 82 Cb -0.04 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 3kwz s ASP 82 CO -0.00 -1.95 1.06 -0.94 0.21 0.00 0.00 175.17 173.55 3kwz s SER 83 N -3.67 5.41 0.26 0.27 1.04 -0.77 -1.63 113.70 114.61 3kwz s SER 83 Ca 0.60 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.70 3kwz s SER 83 Cb -0.16 -2.51 0.47 0.00 0.10 0.00 0.00 66.02 63.92 3kwz s SER 83 CO 0.55 -1.42 1.79 -0.08 0.98 0.00 0.00 173.24 175.06 3kwz h GLU 84 N -0.43 0.71 -0.11 4.02 4.57 -1.30 -2.00 114.58 120.04 3kwz h GLU 84 Ca -0.45 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 3kwz h GLU 84 Cb 1.21 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3kwz h GLU 84 CO 0.56 0.47 -0.27 -0.44 -1.18 0.00 0.00 179.01 178.15 3kwz h ASP 85 N 0.73 0.20 1.60 1.04 3.45 -1.93 -1.95 116.42 119.56 3kwz h ASP 85 Ca 0.43 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.77 3kwz h ASP 85 Cb 0.50 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3kwz h ASP 85 CO -0.30 0.48 -0.31 0.00 -1.57 0.00 0.00 179.24 177.54 3kwz h ALA 86 N 1.54 0.81 -1.36 3.45 0.00 -1.76 -3.40 119.26 118.55 3kwz h ALA 86 Ca 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 3kwz h ALA 86 Cb 0.59 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.08 3kwz h ALA 86 CO 0.04 0.39 -0.69 0.98 0.00 0.00 0.00 179.25 179.97 3kwz n TYR 87 N -3.20 -2.64 -1.64 0.00 4.19 -0.80 -4.95 117.16 108.12 3kwz n TYR 87 Ca 0.02 -2.17 -0.33 0.00 3.31 0.00 0.00 57.90 58.74 3kwz n TYR 87 Cb 0.64 0.99 0.06 0.00 0.49 0.00 0.00 39.34 41.52 3kwz n TYR 87 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kwz s PRO 88 N 0.45 2.59 -0.10 2.98 0.04 -0.75 -4.49 135.00 135.71 3kwz s PRO 88 Ca 0.32 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3kwz s PRO 88 Cb 0.05 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 3kwz s PRO 88 CO -0.13 -1.43 1.14 -0.47 0.04 0.00 0.00 177.00 176.16 3kwz s TYR 89 N -2.28 3.24 -0.40 0.56 5.04 -1.26 -4.77 117.35 117.48 3kwz s TYR 89 Ca 0.68 1.31 0.08 0.00 -2.44 0.00 0.00 57.07 56.70 3kwz s TYR 89 Cb -0.22 -3.36 -0.08 0.00 0.35 0.00 0.00 41.96 38.65 3kwz s TYR 89 CO 0.43 -1.00 0.35 1.33 -1.34 0.00 0.00 175.55 175.32 3kwz n VAL 90 N 4.76 0.00 -1.04 3.14 0.24 -1.26 -5.03 118.33 119.13 3kwz n VAL 90 Ca 0.11 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 62.07 3kwz n VAL 90 Cb 0.47 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 3kwz n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwz n GLY 91 N 1.16 0.51 3.31 7.63 0.00 -1.26 -5.02 105.19 111.53 3kwz n GLY 91 Ca 0.02 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 3kwz n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kwz s GLN 92 N -1.15 0.96 0.26 1.61 -2.07 -1.26 -4.27 119.66 113.75 3kwz s GLN 92 Ca 0.00 -0.52 -0.30 0.00 -1.82 0.00 0.00 55.36 52.72 3kwz s GLN 92 Cb 0.00 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 32.25 3kwz s GLN 92 CO 0.00 -0.35 1.06 -2.00 -1.32 0.00 0.00 175.29 172.69 3kwz s GLU 93 N -3.02 4.69 0.37 9.60 2.12 -1.26 -4.96 118.70 126.23 3kwz s GLU 93 Ca -0.02 1.73 0.07 0.00 0.36 0.00 0.00 54.97 57.11 3kwz s GLU 93 Cb 0.00 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3kwz s GLU 93 CO -0.06 0.27 0.24 0.39 -0.54 0.00 0.00 175.26 175.55 3kwz n GLU 94 N 1.33 0.47 -1.93 4.30 1.02 -1.26 -5.07 120.64 119.50 3kwz n GLU 94 Ca -0.01 -3.45 -0.35 0.00 -0.02 0.00 0.00 57.16 53.33 3kwz n GLU 94 Cb 0.45 2.46 0.04 0.00 -0.02 0.00 0.00 31.44 34.38 3kwz n GLU 94 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kwz s SER 95 N -3.45 5.12 -0.04 1.62 0.15 -1.26 -4.66 113.70 111.19 3kwz s SER 95 Ca 0.33 2.29 -0.30 0.00 0.70 0.00 0.00 55.95 58.98 3kwz s SER 95 Cb 0.02 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 3kwz s SER 95 CO 0.24 -1.64 1.68 0.00 1.20 0.00 0.00 173.24 174.72 3kwz n MET 97 N 7.02 2.42 -1.89 0.00 2.00 -1.26 -5.05 117.12 120.36 3kwz n MET 97 Ca 0.17 -3.63 -0.42 0.00 0.00 0.00 0.00 57.70 53.83 3kwz n MET 97 Cb 0.42 -1.77 -0.02 0.00 0.00 0.00 0.00 33.22 31.85 3kwz n MET 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 3kwz s TYR 98 N -3.21 2.94 -0.11 2.03 5.04 -1.26 -5.01 117.35 117.77 3kwz s TYR 98 Ca 0.42 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 3kwz s TYR 98 Cb 0.38 -3.96 0.02 0.00 0.35 0.00 0.00 41.96 38.75 3kwz s TYR 98 CO -0.02 -3.32 -0.10 1.21 -1.34 0.00 0.00 175.55 171.98 3kwz s ASN 99 N 0.69 2.20 0.41 4.32 3.84 -1.26 -5.03 114.94 120.10 3kwz s ASN 99 Ca 0.65 -0.34 0.27 0.00 0.21 0.00 0.00 52.86 53.65 3kwz s ASN 99 Cb -0.45 -0.90 1.46 0.00 -0.55 0.00 0.00 41.25 40.81 3kwz s ASN 99 CO 0.40 -0.08 1.82 1.55 -2.79 0.00 0.00 177.10 178.01 3kwz h PRO 100 N 7.90 0.00 0.00 0.43 0.13 -1.98 -2.28 132.00 136.21 3kwz h PRO 100 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3kwz h PRO 100 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kwz h PRO 100 CO 0.44 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.00 3kwz h THR 101 N 0.00 0.00 -0.34 1.56 1.35 -2.01 -2.70 112.91 110.76 3kwz h THR 101 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3kwz h THR 101 Cb 0.03 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3kwz h THR 101 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kwz n GLY 102 N 0.92 0.94 3.71 5.82 0.00 -0.86 -4.99 105.19 110.73 3kwz n GLY 102 Ca 0.04 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3kwz n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kwz n LYS 103 N 0.77 2.56 0.00 1.61 4.81 -1.02 -1.85 118.16 125.04 3kwz n LYS 103 Ca 0.16 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 3kwz n LYS 103 Cb 0.40 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.75 3kwz n LYS 103 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kwz n ALA 104 N 2.94 1.00 -3.48 3.14 0.00 -0.18 -4.82 120.51 119.11 3kwz n ALA 104 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3kwz n ALA 104 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 3kwz n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwz s ALA 105 N -0.56 -1.49 0.19 0.00 0.00 -1.18 -5.00 121.76 113.72 3kwz s ALA 105 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.30 3kwz s ALA 105 Cb 0.00 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 3kwz s ALA 105 CO 0.00 -0.81 -0.01 0.15 0.00 0.00 0.00 175.76 175.09 3kwz s LYS 106 N -3.78 1.17 -0.01 0.00 1.02 -1.26 -2.09 119.74 114.79 3kwz s LYS 106 Ca 0.03 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.45 3kwz s LYS 106 Cb -0.02 -0.39 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 3kwz s LYS 106 CO -0.09 -0.11 0.00 0.00 -0.92 0.00 0.00 175.35 174.23 3kwz n ARG 108 N 3.46 2.74 0.00 0.00 1.74 -0.24 -3.88 116.66 120.49 3kwz n ARG 108 Ca -0.18 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 3kwz n ARG 108 Cb 0.56 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3kwz n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwz n GLY 109 N -0.67 0.53 3.66 -0.13 0.00 -1.25 -4.85 105.19 102.48 3kwz n GLY 109 Ca 0.34 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 3kwz n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwz s TYR 110 N -0.59 -0.05 0.07 1.61 1.13 -1.26 -1.08 117.35 117.18 3kwz s TYR 110 Ca 0.00 -0.33 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 3kwz s TYR 110 Cb 0.00 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 3kwz s TYR 110 CO 0.00 -1.06 -0.14 1.03 -2.51 0.00 0.00 175.55 172.87 3kwz s ARG 111 N -3.92 0.83 -0.10 -3.49 0.52 -0.56 -4.89 118.95 107.33 3kwz s ARG 111 Ca 0.13 -0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3kwz s ARG 111 Cb -0.03 -0.83 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 3kwz s ARG 111 CO 0.03 0.19 -0.04 -2.00 0.02 0.00 0.00 175.30 173.50 3kwz s GLU 112 N -1.66 3.14 0.26 3.54 2.56 -1.26 -1.46 118.70 123.82 3kwz s GLU 112 Ca -0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 54.97 54.15 3kwz s GLU 112 Cb -0.10 -2.75 -0.09 0.00 2.00 0.00 0.00 34.13 33.19 3kwz s GLU 112 CO 0.02 0.52 1.25 0.42 -0.56 0.00 0.00 175.26 176.91 3kwz s ILE 113 N -0.40 3.14 0.23 -3.70 1.09 0.65 -4.96 121.20 117.24 3kwz s ILE 113 Ca 0.06 1.05 -0.31 0.00 -1.10 0.00 0.00 60.65 60.35 3kwz s ILE 113 Cb -0.12 -3.67 -0.14 0.00 -1.06 0.00 0.00 42.46 37.47 3kwz s ILE 113 CO 0.02 0.21 1.33 -0.81 -0.10 0.00 0.00 174.94 175.60 3kwz n PRO 114 N 1.64 1.82 -1.81 2.79 -0.04 -1.26 -4.71 135.00 133.43 3kwz n PRO 114 Ca 0.02 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 3kwz n PRO 114 Cb 0.43 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 3kwz n PRO 114 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kwz s GLU 115 N -0.49 4.16 0.00 0.54 2.12 -1.26 -2.16 118.70 121.62 3kwz s GLU 115 Ca 0.69 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.48 3kwz s GLU 115 Cb -0.69 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 29.95 3kwz s GLU 115 CO 0.51 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 3kwz n GLY 116 N 4.20 0.88 3.39 -1.50 0.00 -0.09 -4.93 105.19 107.13 3kwz n GLY 116 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3kwz n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwz s ASN 117 N -3.01 6.36 0.40 1.61 3.84 -0.92 -4.86 114.94 118.36 3kwz s ASN 117 Ca 0.00 -1.70 0.16 0.00 0.21 0.00 0.00 52.86 51.53 3kwz s ASN 117 Cb 0.00 -2.32 0.85 0.00 -0.55 0.00 0.00 41.25 39.23 3kwz s ASN 117 CO 0.00 -1.06 1.86 -0.33 -2.79 0.00 0.00 177.10 174.78 3kwz h GLU 118 N 8.95 0.00 -0.37 0.43 5.08 -1.90 -1.48 114.58 125.28 3kwz h GLU 118 Ca -0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 3kwz h GLU 118 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3kwz h GLU 118 CO 1.06 0.32 -0.29 0.87 -1.00 0.00 0.00 179.01 179.98 3kwz h LYS 119 N 0.00 0.85 -0.71 2.33 1.57 -1.98 -0.45 116.57 118.17 3kwz h LYS 119 Ca -0.00 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 3kwz h LYS 119 Cb 0.64 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3kwz h LYS 119 CO 0.04 1.06 0.29 0.00 -0.57 0.00 0.00 179.45 180.28 3kwz h ALA 120 N 0.78 0.92 -0.92 3.86 0.00 -1.88 -2.31 119.26 119.71 3kwz h ALA 120 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kwz h ALA 120 Cb 0.86 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3kwz h ALA 120 CO 0.08 0.53 0.58 1.25 0.00 0.00 0.00 179.25 181.69 3kwz h LEU 121 N 1.01 1.09 -0.46 0.00 5.85 -1.09 -0.69 115.31 121.02 3kwz h LEU 121 Ca 0.24 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3kwz h LEU 121 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kwz h LEU 121 CO -0.02 0.82 -0.07 0.50 -0.34 0.00 0.00 178.44 179.32 3kwz h LYS 122 N 1.26 0.87 -0.70 1.25 3.64 -0.72 -1.15 116.57 121.03 3kwz h LYS 122 Ca 0.33 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3kwz h LYS 122 Cb -0.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3kwz h LYS 122 CO -0.07 0.95 0.25 0.00 -2.27 0.00 0.00 179.45 178.32 3kwz h ARG 123 N 0.71 1.05 0.08 1.90 3.08 -1.15 0.24 114.38 120.29 3kwz h ARG 123 Ca 0.12 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3kwz h ARG 123 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3kwz h ARG 123 CO 0.04 0.87 -0.17 0.00 -1.07 0.00 0.00 179.97 179.64 3kwz h ALA 124 N 1.25 -0.27 -0.85 0.04 0.00 -0.93 0.14 119.26 118.64 3kwz h ALA 124 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kwz h ALA 124 Cb 0.23 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3kwz h ALA 124 CO -0.02 -0.69 0.55 0.28 0.00 0.00 0.00 179.25 179.38 3kwz h VAL 125 N -0.32 1.16 -0.36 0.00 2.07 -0.91 0.26 116.25 118.15 3kwz h VAL 125 Ca 0.03 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3kwz h VAL 125 Cb 0.35 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kwz h VAL 125 CO -0.11 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 3kwz h ALA 126 N 1.34 0.48 0.00 1.67 0.00 -0.79 -2.81 119.26 119.15 3kwz h ALA 126 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kwz h ALA 126 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kwz h ALA 126 CO -0.10 0.26 -1.53 0.54 0.00 0.00 0.00 179.25 178.43 3kwz n ARG 127 N -4.48 0.56 -0.05 0.00 1.74 0.49 -4.62 116.66 110.31 3kwz n ARG 127 Ca -0.02 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 3kwz n ARG 127 Cb 0.29 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3kwz n ARG 127 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kwz n VAL 128 N -2.31 1.14 0.00 1.55 0.31 0.88 -5.05 118.33 114.85 3kwz n VAL 128 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3kwz n VAL 128 Cb 0.54 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3kwz n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kwz n GLY 129 N 2.23 0.74 3.59 2.92 0.00 -1.06 -4.90 105.19 108.72 3kwz n GLY 129 Ca -0.18 -2.06 -0.52 0.00 0.00 0.00 0.00 46.02 43.26 3kwz n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kwz n PRO 130 N 0.00 1.18 -5.20 1.61 -0.02 -1.26 -4.26 135.00 127.05 3kwz n PRO 130 Ca 0.00 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3kwz n PRO 130 Cb 0.00 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 3kwz n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kwz s VAL 131 N 0.55 2.16 0.06 -1.45 1.01 -0.45 -4.67 120.40 117.62 3kwz s VAL 131 Ca 0.85 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 3kwz s VAL 131 Cb -0.95 -1.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 3kwz s VAL 131 CO 0.47 0.56 1.41 -0.44 0.00 0.00 0.00 175.10 177.10 3kwz s SER 132 N 0.04 6.83 0.06 3.32 0.01 -0.34 -0.35 113.70 123.26 3kwz s SER 132 Ca -0.09 2.25 0.04 0.00 1.31 0.00 0.00 55.95 59.45 3kwz s SER 132 Cb -0.15 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 3kwz s SER 132 CO 0.06 -0.69 -0.11 0.68 0.41 0.00 0.00 173.24 173.59 3kwz s VAL 133 N 1.72 0.81 -0.01 3.43 -7.23 -0.79 -1.66 120.40 116.68 3kwz s VAL 133 Ca 0.65 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3kwz s VAL 133 Cb -0.35 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 3kwz s VAL 133 CO 0.29 -0.31 -0.07 0.00 -0.31 0.00 0.00 175.10 174.70 3kwz s ALA 134 N -1.34 2.99 0.13 1.32 0.00 -1.22 -1.11 121.76 122.54 3kwz s ALA 134 Ca -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kwz s ALA 134 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3kwz s ALA 134 CO 0.01 0.60 0.06 0.96 0.00 0.00 0.00 175.76 177.40 3kwz s ILE 135 N -0.96 0.10 -0.55 0.00 -4.36 -0.00 -4.21 121.20 111.22 3kwz s ILE 135 Ca 0.16 -1.88 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 3kwz s ILE 135 Cb -0.11 -2.02 0.03 0.00 1.25 0.00 0.00 42.46 41.61 3kwz s ILE 135 CO 0.06 -0.47 1.15 -0.62 0.24 0.00 0.00 174.94 175.31 3kwz s ASP 136 N -3.04 6.48 -0.17 4.36 2.15 -0.37 -1.38 116.67 124.70 3kwz s ASP 136 Ca 0.23 0.14 0.16 0.00 0.43 0.00 0.00 52.55 53.51 3kwz s ASP 136 Cb 0.07 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.78 3kwz s ASP 136 CO 0.01 -1.40 1.54 0.00 -0.17 0.00 0.00 175.17 175.15 3kwz n ALA 137 N 8.20 3.19 0.39 3.66 0.00 -1.26 -4.75 120.51 129.93 3kwz n ALA 137 Ca 0.08 -1.96 0.13 0.00 0.00 0.00 0.00 53.44 51.69 3kwz n ALA 137 Cb 0.49 -0.86 0.29 0.00 0.00 0.00 0.00 19.45 19.37 3kwz n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwz h SER 138 N 2.86 0.00 -3.95 0.00 4.64 -1.92 -3.43 113.55 111.75 3kwz h SER 138 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3kwz h SER 138 Cb 1.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3kwz h SER 138 CO 0.28 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 175.86 3kwz s LEU 139 N -5.50 4.18 0.22 5.97 1.43 -1.26 -4.91 118.68 118.81 3kwz s LEU 139 Ca 0.08 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.00 3kwz s LEU 139 Cb 0.08 -4.18 0.34 0.00 0.03 0.00 0.00 46.19 42.46 3kwz s LEU 139 CO 0.63 -0.32 1.66 0.74 0.23 0.00 0.00 176.35 179.29 3kwz h THR 140 N 2.29 0.48 -0.72 5.49 2.02 -2.00 -2.30 112.91 118.18 3kwz h THR 140 Ca -0.48 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3kwz h THR 140 Cb 1.20 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3kwz h THR 140 CO 0.63 0.03 0.47 0.77 0.37 0.00 0.00 175.52 177.79 3kwz h SER 141 N 0.14 0.75 -0.16 4.18 4.64 -1.97 -0.93 113.55 120.20 3kwz h SER 141 Ca 0.35 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3kwz h SER 141 Cb 0.57 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3kwz h SER 141 CO -0.54 0.52 0.08 0.15 -0.87 0.00 0.00 176.83 176.17 3kwz h PHE 142 N 0.88 0.23 -0.20 4.77 3.57 -1.77 -3.01 116.94 121.41 3kwz h PHE 142 Ca 0.28 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3kwz h PHE 142 Cb 0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3kwz h PHE 142 CO -0.00 0.25 -0.22 1.96 -2.23 0.00 0.00 178.31 178.08 3kwz h GLN 143 N 0.15 0.36 -0.40 1.11 4.20 -0.74 -2.57 115.11 117.22 3kwz h GLN 143 Ca 0.06 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kwz h GLN 143 Cb 0.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3kwz h GLN 143 CO -0.01 0.56 0.00 1.97 -0.67 0.00 0.00 178.83 180.68 3kwz n PHE 144 N -4.17 0.53 -1.58 2.96 1.16 -0.47 -4.76 117.46 111.12 3kwz n PHE 144 Ca -0.00 -0.26 -0.48 0.00 -1.87 0.00 0.00 57.45 54.83 3kwz n PHE 144 Cb 0.36 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.19 3kwz n PHE 144 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 3kwz n TYR 145 N 0.89 1.32 0.00 2.97 4.19 -0.97 -4.93 117.16 120.63 3kwz n TYR 145 Ca 0.17 0.67 0.00 0.00 3.31 0.00 0.00 57.90 62.05 3kwz n TYR 145 Cb 0.43 -2.28 0.00 0.00 0.49 0.00 0.00 39.34 37.98 3kwz n TYR 145 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 3kwz n SER 146 N 1.91 1.93 -3.58 2.98 3.41 -1.26 -3.58 113.62 115.43 3kwz n SER 146 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 3kwz n SER 146 Cb 0.26 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3kwz n SER 146 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kwz s LYS 147 N -1.41 1.08 0.64 4.33 2.20 -1.26 -4.11 119.74 121.21 3kwz s LYS 147 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 3kwz s LYS 147 Cb 0.00 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3kwz s LYS 147 CO 0.00 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 3kwz n GLY 148 N 0.04 -2.12 3.58 5.54 0.00 -1.26 -4.79 105.19 106.18 3kwz n GLY 148 Ca -0.17 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 3kwz n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwz s VAL 149 N -0.15 5.23 -0.04 1.61 1.01 -1.26 -4.34 120.40 122.45 3kwz s VAL 149 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3kwz s VAL 149 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3kwz s VAL 149 CO 0.00 0.11 1.30 -0.47 0.00 0.00 0.00 175.10 176.04 3kwz s TYR 150 N 1.92 3.00 -0.13 5.22 5.04 0.15 -4.79 117.35 127.76 3kwz s TYR 150 Ca 0.11 1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 55.68 3kwz s TYR 150 Cb -0.16 -3.54 0.05 0.00 0.35 0.00 0.00 41.96 38.66 3kwz s TYR 150 CO 0.11 -1.85 0.31 -0.47 -1.34 0.00 0.00 175.55 172.30 3kwz s TYR 151 N 2.44 -0.42 -0.04 4.97 5.04 -1.26 -0.76 117.35 127.32 3kwz s TYR 151 Ca 0.59 0.96 -0.02 0.00 -2.44 0.00 0.00 57.07 56.17 3kwz s TYR 151 Cb -0.27 0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.20 3kwz s TYR 151 CO 0.23 -0.26 0.06 0.34 -1.34 0.00 0.00 175.55 174.58 3kwz s ASP 152 N 1.18 0.73 0.63 4.32 -1.08 -1.26 -5.03 116.67 116.17 3kwz s ASP 152 Ca -0.08 0.10 0.38 0.00 -0.52 0.00 0.00 52.55 52.42 3kwz s ASP 152 Cb -0.09 -0.07 2.16 0.00 -1.46 0.00 0.00 42.92 43.46 3kwz s ASP 152 CO -0.09 -0.21 2.32 1.05 0.52 0.00 0.00 175.17 178.76 3kwz h GLU 153 N 8.04 0.00 0.00 4.34 -0.00 -2.03 -1.70 114.58 123.24 3kwz h GLU 153 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 3kwz h GLU 153 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 3kwz h GLU 153 CO 0.26 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.70 3kwz n SER 154 N -3.42 0.36 -4.74 3.06 7.64 -1.26 -4.87 113.62 110.39 3kwz n SER 154 Ca -0.03 0.54 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 3kwz n SER 154 Cb 0.08 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 3kwz n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwz s ASN 156 N 0.75 5.88 0.29 0.00 3.84 -1.26 -4.65 114.94 119.79 3kwz s ASN 156 Ca 0.66 -1.32 0.22 0.00 0.21 0.00 0.00 52.86 52.63 3kwz s ASN 156 Cb -0.46 -2.08 1.08 0.00 -0.55 0.00 0.00 41.25 39.24 3kwz s ASN 156 CO 0.40 -0.55 1.68 -1.54 -2.79 0.00 0.00 177.10 174.29 3kwz n SER 157 N 5.05 0.61 0.01 -4.21 3.41 -1.26 -1.08 113.62 116.15 3kwz n SER 157 Ca -0.11 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 3kwz n SER 157 Cb 0.44 -0.82 0.08 0.00 -0.26 0.00 0.00 64.21 63.65 3kwz n SER 157 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kwz n ASP 158 N -2.24 0.66 -4.12 4.04 8.00 -1.26 -4.31 116.55 117.32 3kwz n ASP 158 Ca 0.00 -0.41 -0.44 0.00 0.71 0.00 0.00 54.79 54.65 3kwz n ASP 158 Cb 0.12 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 3kwz n ASP 158 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kwz n ASN 159 N -1.67 5.84 -4.63 -2.24 5.15 -0.24 -5.00 115.26 112.47 3kwz n ASN 159 Ca 0.04 -3.22 -0.42 0.00 -0.60 0.00 0.00 54.58 50.38 3kwz n ASN 159 Cb 0.37 -1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 3kwz n ASN 159 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kwz s LEU 160 N -1.50 4.04 0.00 1.20 1.43 -1.26 -3.57 118.68 119.02 3kwz s LEU 160 Ca 0.34 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3kwz s LEU 160 Cb 0.01 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3kwz s LEU 160 CO 0.03 -0.70 0.25 -0.46 0.23 0.00 0.00 176.35 175.70 3kwz n ASN 161 N 6.42 0.10 -3.70 2.29 0.23 -0.48 -4.94 115.26 115.18 3kwz n ASN 161 Ca 0.08 -1.03 -0.12 0.00 -0.53 0.00 0.00 54.58 52.98 3kwz n ASN 161 Cb 0.47 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 3kwz n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kwz s HIS 162 N -0.03 -0.58 -0.14 -2.53 5.04 -0.90 -4.87 115.29 111.28 3kwz s HIS 162 Ca 0.00 1.34 -0.05 0.00 -1.54 0.00 0.00 55.06 54.81 3kwz s HIS 162 Cb 0.00 0.23 -0.04 0.00 0.04 0.00 0.00 32.58 32.81 3kwz s HIS 162 CO 0.00 -0.29 0.05 0.00 -2.34 0.00 0.00 174.74 172.16 3kwz s ALA 163 N 0.59 3.42 0.24 1.58 0.00 -1.26 -0.82 121.76 125.51 3kwz s ALA 163 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3kwz s ALA 163 Cb -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 3kwz s ALA 163 CO -0.04 0.38 0.21 1.33 0.00 0.00 0.00 175.76 177.65 3kwz n VAL 164 N 2.86 0.00 -3.79 0.00 0.24 -0.27 -4.54 118.33 112.83 3kwz n VAL 164 Ca -0.18 -1.77 -0.24 0.00 -2.04 0.00 0.00 64.34 60.11 3kwz n VAL 164 Cb 0.53 0.89 -0.17 0.00 -1.47 0.00 0.00 33.84 33.62 3kwz n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kwz s LEU 165 N 0.00 0.77 -0.34 1.34 2.96 -0.94 -1.88 118.68 120.60 3kwz s LEU 165 Ca 0.29 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 3kwz s LEU 165 Cb 0.01 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.19 3kwz s LEU 165 CO 0.21 -0.19 1.07 0.00 -1.32 0.00 0.00 176.35 176.11 3kwz s ALA 166 N 1.91 3.46 -0.41 5.97 0.00 0.52 -0.59 121.76 132.62 3kwz s ALA 166 Ca 0.04 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.96 3kwz s ALA 166 Cb -0.13 -3.69 0.19 0.00 0.00 0.00 0.00 23.12 19.49 3kwz s ALA 166 CO -0.06 -1.56 1.15 1.33 0.00 0.00 0.00 175.76 176.62 3kwz n VAL 167 N 5.96 1.16 -1.07 0.00 0.24 0.45 -1.34 118.33 123.73 3kwz n VAL 167 Ca 0.12 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 3kwz n VAL 167 Cb 0.47 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 3kwz n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwz n GLY 168 N -0.15 -2.31 3.39 7.63 0.00 -1.24 -1.15 105.19 111.37 3kwz n GLY 168 Ca 0.08 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3kwz n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwz s TYR 169 N -2.28 -0.45 0.00 1.61 -0.85 -0.43 -1.17 117.35 113.78 3kwz s TYR 169 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 3kwz s TYR 169 Cb 0.00 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3kwz s TYR 169 CO 0.00 -0.80 0.00 0.41 -1.52 0.00 0.00 175.55 173.64 3kwz n GLY 170 N -0.31 1.09 3.01 5.49 0.00 -0.44 -1.72 105.19 112.31 3kwz n GLY 170 Ca -0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3kwz n GLY 170 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwz s ILE 171 N -1.06 -0.00 -0.09 -0.61 2.07 -1.26 -0.51 121.20 119.73 3kwz s ILE 171 Ca 0.00 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3kwz s ILE 171 Cb 0.00 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.41 3kwz s ILE 171 CO 0.00 0.01 -0.02 -1.58 -1.91 0.00 0.00 174.94 171.44 3kwz s GLN 172 N 0.16 0.83 -1.54 3.50 0.74 0.15 -4.85 119.66 118.65 3kwz s GLN 172 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 55.36 55.28 3kwz s GLN 172 Cb -0.02 -1.16 0.09 0.00 1.10 0.00 0.00 33.01 33.02 3kwz s GLN 172 CO -0.00 -0.31 0.85 1.63 -0.55 0.00 0.00 175.29 176.91 3kwz n LYS 173 N 5.10 -4.67 -0.52 1.67 5.02 -1.26 -1.35 118.16 122.14 3kwz n LYS 173 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3kwz n LYS 173 Cb 0.50 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3kwz n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwz n GLY 174 N -1.64 1.35 3.38 0.72 0.00 -1.26 -5.02 105.19 102.72 3kwz n GLY 174 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3kwz n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwz s ASN 175 N -3.18 5.59 0.27 1.61 0.02 -0.45 -5.08 114.94 113.72 3kwz s ASN 175 Ca 0.00 -0.88 -0.30 0.00 -1.02 0.00 0.00 52.86 50.66 3kwz s ASN 175 Cb 0.00 -1.99 -0.10 0.00 0.02 0.00 0.00 41.25 39.18 3kwz s ASN 175 CO 0.00 -0.32 1.43 -0.54 0.02 0.00 0.00 177.10 177.69 3kwz s LYS 176 N 1.55 4.27 0.11 -0.60 1.02 -1.26 -0.67 119.74 124.15 3kwz s LYS 176 Ca 0.02 2.32 -0.01 0.00 0.02 0.00 0.00 55.97 58.32 3kwz s LYS 176 Cb -0.19 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3kwz s LYS 176 CO 0.06 -0.40 0.03 -3.38 -0.92 0.00 0.00 175.35 170.74 3kwz s HIS 177 N -0.25 0.81 -0.05 3.18 -3.43 0.33 -1.19 115.29 114.69 3kwz s HIS 177 Ca 0.57 -1.18 -0.14 0.00 -0.80 0.00 0.00 55.06 53.52 3kwz s HIS 177 Cb -0.42 -0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 30.20 3kwz s HIS 177 CO 0.46 -0.46 0.37 -1.58 -2.00 0.00 0.00 174.74 171.53 3kwz s TRP 178 N -3.98 3.65 -0.35 0.38 0.52 0.57 -1.33 118.94 118.40 3kwz s TRP 178 Ca 0.20 0.87 -0.24 0.00 0.02 0.00 0.00 56.10 56.95 3kwz s TRP 178 Cb 0.07 -2.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 3kwz s TRP 178 CO -0.01 0.54 0.80 0.42 0.02 0.00 0.00 176.95 178.72 3kwz s ILE 179 N -0.63 4.74 -0.20 2.03 1.01 -0.32 -1.24 121.20 126.59 3kwz s ILE 179 Ca 0.22 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 3kwz s ILE 179 Cb -0.15 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 3kwz s ILE 179 CO 0.10 -0.39 -0.10 -0.63 0.00 0.00 0.00 174.94 173.93 3kwz s ILE 180 N 3.10 2.97 -0.18 2.92 -1.09 0.33 -0.42 121.20 128.82 3kwz s ILE 180 Ca 0.32 -0.64 -0.22 0.00 -2.23 0.00 0.00 60.65 57.89 3kwz s ILE 180 Cb -0.13 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 3kwz s ILE 180 CO 0.16 0.47 0.68 -0.75 -1.23 0.00 0.00 174.94 174.26 3kwz s LYS 181 N 1.27 4.25 0.47 2.79 2.20 0.24 -0.83 119.74 130.14 3kwz s LYS 181 Ca 0.03 0.72 0.08 0.00 -0.36 0.00 0.00 55.97 56.44 3kwz s LYS 181 Cb -0.14 -3.56 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3kwz s LYS 181 CO -0.05 -0.22 0.52 1.21 -0.36 0.00 0.00 175.35 176.45 3kwz s ASN 182 N 1.14 5.15 -0.26 1.43 2.47 -0.89 -2.23 114.94 121.76 3kwz s ASN 182 Ca 0.31 -0.76 0.09 0.00 0.42 0.00 0.00 52.86 52.93 3kwz s ASN 182 Cb -0.16 -0.25 0.45 0.00 -1.45 0.00 0.00 41.25 39.84 3kwz s ASN 182 CO 0.11 -0.90 1.19 -1.54 -3.72 0.00 0.00 177.10 172.24 3kwz n SER 183 N -1.81 3.82 -1.54 -4.21 3.41 -1.26 -4.43 113.62 107.59 3kwz n SER 183 Ca 0.07 -3.65 0.01 0.00 -0.26 0.00 0.00 58.87 55.04 3kwz n SER 183 Cb 0.61 -0.40 0.30 0.00 -0.26 0.00 0.00 64.21 64.47 3kwz n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kwz n TRP 184 N -0.78 1.76 0.00 7.33 8.01 -1.19 -1.20 117.44 131.37 3kwz n TRP 184 Ca 0.35 -1.06 0.00 0.00 -1.31 0.00 0.00 57.50 55.47 3kwz n TRP 184 Cb 0.89 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.67 3kwz n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kwz n GLY 185 N -0.25 -0.24 0.26 6.99 0.00 -0.06 -4.21 105.19 107.69 3kwz n GLY 185 Ca 0.32 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.80 3kwz n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kwz h GLU 186 N 0.00 0.00 -0.16 1.61 5.08 -1.81 -3.04 114.58 116.26 3kwz h GLU 186 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3kwz h GLU 186 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kwz h GLU 186 CO 0.00 0.03 -0.14 -0.97 -1.00 0.00 0.00 179.01 176.94 3kwz h ASN 187 N 0.00 0.24 -3.94 1.42 -1.24 -1.89 -2.86 115.58 107.32 3kwz h ASN 187 Ca -0.00 -0.05 -0.51 0.00 0.71 0.00 0.00 56.30 56.45 3kwz h ASN 187 Cb 0.62 -0.06 0.05 0.00 0.73 0.00 0.00 38.32 39.65 3kwz h ASN 187 CO 0.00 0.40 0.50 0.86 -1.29 0.00 0.00 177.43 177.91 3kwz s TRP 188 N -4.71 3.10 0.00 0.67 -0.00 -1.15 -4.79 118.94 112.06 3kwz s TRP 188 Ca -0.06 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 3kwz s TRP 188 Cb 0.15 -3.38 0.00 0.00 -0.00 0.00 0.00 33.47 30.25 3kwz s TRP 188 CO 0.74 -1.25 0.00 0.41 -0.00 0.00 0.00 176.95 176.84 3kwz n GLY 189 N 0.63 2.56 3.22 5.86 0.00 -1.23 -0.46 105.19 115.76 3kwz n GLY 189 Ca 0.04 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3kwz n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwz s ASN 190 N -4.00 5.99 -1.29 1.61 3.84 -0.35 -4.60 114.94 116.14 3kwz s ASN 190 Ca 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 52.86 50.39 3kwz s ASN 190 Cb 0.00 -2.04 0.03 0.00 -0.55 0.00 0.00 41.25 38.69 3kwz s ASN 190 CO 0.00 -0.51 0.35 0.29 -2.79 0.00 0.00 177.10 174.44 3kwz n LYS 191 N 3.93 -3.30 0.00 0.43 5.02 -1.24 -2.02 118.16 120.98 3kwz n LYS 191 Ca 0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3kwz n LYS 191 Cb 0.42 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3kwz n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwz n GLY 192 N -1.13 0.16 3.65 0.72 0.00 0.39 -4.67 105.19 104.32 3kwz n GLY 192 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3kwz n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwz s TYR 193 N -2.00 2.86 -0.03 1.61 1.51 -0.86 -2.10 117.35 118.35 3kwz s TYR 193 Ca 0.00 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 3kwz s TYR 193 Cb 0.00 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 3kwz s TYR 193 CO 0.00 0.49 -0.09 -1.50 -1.11 0.00 0.00 175.55 173.34 3kwz s ILE 194 N -1.54 0.82 -0.38 2.71 2.07 -0.01 -1.21 121.20 123.67 3kwz s ILE 194 Ca 0.26 -0.37 -0.24 0.00 -1.41 0.00 0.00 60.65 58.89 3kwz s ILE 194 Cb -0.10 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.76 3kwz s ILE 194 CO 0.18 0.26 0.83 -0.76 -1.91 0.00 0.00 174.94 173.53 3kwz s LEU 195 N 0.26 4.10 -0.08 8.50 1.43 -1.26 -0.52 118.68 131.11 3kwz s LEU 195 Ca -0.05 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3kwz s LEU 195 Cb -0.10 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 3kwz s LEU 195 CO 0.01 -0.79 -0.01 -0.04 0.23 0.00 0.00 176.35 175.75 3kwz s MET 196 N 3.24 2.97 -0.24 1.70 -1.94 -0.38 0.32 119.30 124.97 3kwz s MET 196 Ca 0.33 -0.42 -0.43 0.00 -1.71 0.00 0.00 55.69 53.46 3kwz s MET 196 Cb -0.13 -2.77 -0.19 0.00 2.01 0.00 0.00 34.83 33.75 3kwz s MET 196 CO 0.18 0.69 1.38 0.00 -0.01 0.00 0.00 175.02 177.26 3kwz n ALA 197 N 2.17 -2.19 -2.62 3.03 0.00 0.06 -0.32 120.51 120.65 3kwz n ALA 197 Ca -0.19 0.53 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 3kwz n ALA 197 Cb 0.54 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 3kwz n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kwz s ARG 198 N 1.65 2.78 -1.40 0.00 3.52 -0.34 -4.55 118.95 120.61 3kwz s ARG 198 Ca 0.97 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 55.89 3kwz s ARG 198 Cb -1.34 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 3kwz s ARG 198 CO 0.68 0.57 0.84 0.09 -0.81 0.00 0.00 175.30 176.68 3kwz n ASN 199 N 2.48 -6.08 -2.94 -2.12 5.03 -1.26 -4.60 115.26 105.77 3kwz n ASN 199 Ca -0.18 -0.39 -0.27 0.00 0.87 0.00 0.00 54.58 54.62 3kwz n ASN 199 Cb 0.53 -4.80 -0.04 0.00 -1.02 0.00 0.00 39.78 34.45 3kwz n ASN 199 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kwz n LYS 200 N -4.32 3.23 -3.85 3.52 4.76 -1.26 -4.89 118.16 115.34 3kwz n LYS 200 Ca -0.05 -4.85 -0.28 0.00 -2.87 0.00 0.00 58.31 50.26 3kwz n LYS 200 Cb 0.59 -2.23 0.01 0.00 -1.84 0.00 0.00 35.03 31.55 3kwz n LYS 200 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kwz n ASN 201 N -0.25 -2.06 -3.50 4.39 4.05 -1.26 -3.01 115.26 113.62 3kwz n ASN 201 Ca 0.31 -1.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.15 3kwz n ASN 201 Cb 0.40 -3.20 0.06 0.00 1.23 0.00 0.00 39.78 38.27 3kwz n ASN 201 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3kwz n ASN 202 N -2.87 -2.97 -4.70 1.20 5.15 -1.26 -4.86 115.26 104.95 3kwz n ASN 202 Ca -0.24 -0.73 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 3kwz n ASN 202 Cb 0.65 -4.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.20 3kwz n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwz s ALA 203 N -3.47 3.77 -0.79 5.20 0.00 -1.16 -2.05 121.76 123.25 3kwz s ALA 203 Ca 0.13 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3kwz s ALA 203 Cb -0.03 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3kwz s ALA 203 CO 0.77 -1.15 0.00 0.00 0.00 0.00 0.00 175.76 175.38 3kwz n GLY 205 N -0.84 0.42 0.36 0.00 0.00 -0.87 -1.24 105.19 103.03 3kwz n GLY 205 Ca -0.07 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.34 3kwz n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kwz h ILE 206 N 0.00 0.89 -0.46 -0.61 6.09 -1.70 -1.12 117.51 120.60 3kwz h ILE 206 Ca -0.13 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3kwz h ILE 206 Cb 0.79 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.31 3kwz h ILE 206 CO 0.16 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.36 3kwz n ALA 207 N -2.47 2.39 0.11 0.18 0.00 -1.26 -4.49 120.51 114.97 3kwz n ALA 207 Ca 0.14 -1.07 -0.01 0.00 0.00 0.00 0.00 53.44 52.49 3kwz n ALA 207 Cb 0.39 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 3kwz n ALA 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kwz h ASN 208 N 4.09 0.00 -1.36 0.00 2.35 -1.49 -0.22 115.58 118.96 3kwz h ASN 208 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 3kwz h ASN 208 Cb 0.94 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.97 3kwz h ASN 208 CO 0.00 0.69 -1.02 -0.11 -1.65 0.00 0.00 177.43 175.33 3kwz n LEU 209 N -3.32 0.24 -4.79 1.61 7.94 -1.26 -4.62 117.00 112.80 3kwz n LEU 209 Ca 0.01 -4.46 -0.36 0.00 -1.11 0.00 0.00 56.01 50.09 3kwz n LEU 209 Cb 0.79 0.67 -0.07 0.00 0.53 0.00 0.00 43.42 45.34 3kwz n LEU 209 CO 0.43 2.10 -0.15 0.00 -1.11 0.00 0.00 177.39 178.65 3kwz s ALA 210 N -1.95 3.75 0.05 1.96 0.00 -1.26 -3.38 121.76 120.94 3kwz s ALA 210 Ca 0.33 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 3kwz s ALA 210 Cb 0.36 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3kwz s ALA 210 CO -0.05 0.33 0.36 -1.54 0.00 0.00 0.00 175.76 174.86 3kwz s SER 211 N -0.18 -0.21 0.05 0.00 1.04 -0.67 -0.25 113.70 113.48 3kwz s SER 211 Ca 0.12 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3kwz s SER 211 Cb -0.12 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3kwz s SER 211 CO 0.01 -0.67 -0.05 0.72 0.98 0.00 0.00 173.24 174.24 3kwz s PHE 212 N -2.68 0.56 0.30 5.02 -0.12 -0.54 -1.20 117.98 119.32 3kwz s PHE 212 Ca -0.04 -0.79 -0.20 0.00 -0.05 0.00 0.00 56.93 55.85 3kwz s PHE 212 Cb -0.00 -0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 41.93 3kwz s PHE 212 CO -0.04 -0.23 0.80 -1.25 -0.05 0.00 0.00 175.22 174.45 3kwz s PRO 213 N -2.82 4.24 0.03 1.99 0.04 -1.26 -1.50 135.00 135.71 3kwz s PRO 213 Ca -0.01 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.79 3kwz s PRO 213 Cb -0.01 -2.63 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 3kwz s PRO 213 CO -0.05 0.24 0.48 0.15 0.04 0.00 0.00 177.00 177.87 3kwz s LYS 214 N -2.46 4.06 0.00 4.56 1.02 -0.24 -4.92 119.74 121.76 3kwz s LYS 214 Ca 0.50 0.56 0.00 0.00 0.02 0.00 0.00 55.97 57.06 3kwz s LYS 214 Cb -0.14 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3kwz s LYS 214 CO 0.19 0.66 0.00 -0.12 -0.92 0.00 0.00 175.35 175.16