#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkt h ASN 37 N 0.00 1.04 -0.48 6.43 -0.26 -1.99 -1.64 115.58 118.68 1kkt h ASN 37 Ca 0.00 -0.07 0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1kkt h ASN 37 Cb 0.00 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 36.96 1kkt h ASN 37 CO 0.00 0.80 0.26 -0.61 -1.06 0.00 0.00 177.43 176.82 1kkt h GLN 38 N 1.19 0.50 -0.64 0.81 5.75 -1.99 0.45 115.11 121.18 1kkt h GLN 38 Ca 0.31 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 1kkt h GLN 38 Cb -0.05 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1kkt h GLN 38 CO -0.06 0.33 0.14 0.00 -2.65 0.00 0.00 178.83 176.59 1kkt h ALA 39 N 1.24 1.04 -0.31 3.38 0.00 -1.87 -1.09 119.26 121.65 1kkt h ALA 39 Ca 0.21 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1kkt h ALA 39 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kkt h ALA 39 CO -0.13 0.63 -0.25 0.87 0.00 0.00 0.00 179.25 180.37 1kkt h LYS 40 N 0.97 0.71 -0.52 0.00 1.57 -0.52 -1.58 116.57 117.19 1kkt h LYS 40 Ca 0.20 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1kkt h LYS 40 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1kkt h LYS 40 CO 0.00 0.97 0.34 0.00 -0.57 0.00 0.00 179.45 180.19 1kkt h ALA 41 N 0.73 0.67 -0.17 3.86 0.00 0.07 -1.22 119.26 123.19 1kkt h ALA 41 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kkt h ALA 41 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1kkt h ALA 41 CO 0.06 0.09 -0.08 -0.44 0.00 0.00 0.00 179.25 178.89 1kkt h ASP 42 N 0.70 0.25 -0.62 0.00 3.32 -1.10 -1.87 116.42 117.08 1kkt h ASP 42 Ca 0.20 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1kkt h ASP 42 Cb -0.06 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1kkt h ASP 42 CO -0.05 0.36 0.11 0.00 -1.72 0.00 0.00 179.24 177.94 1kkt h ALA 43 N 1.67 0.98 -0.24 3.45 0.00 -0.22 -1.75 119.26 123.14 1kkt h ALA 43 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1kkt h ALA 43 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kkt h ALA 43 CO 0.02 0.65 -0.36 0.28 0.00 0.00 0.00 179.25 179.83 1kkt h VAL 44 N 0.99 1.29 -0.36 0.00 2.07 -0.56 -2.15 116.25 117.52 1kkt h VAL 44 Ca 0.20 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 1kkt h VAL 44 Cb 0.42 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1kkt h VAL 44 CO 0.01 0.47 -0.04 0.11 0.02 0.00 0.00 177.57 178.14 1kkt h LYS 45 N 0.45 0.59 -0.31 1.57 1.57 -1.04 -1.32 116.57 118.08 1kkt h LYS 45 Ca 0.05 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1kkt h LYS 45 Cb 0.84 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1kkt h LYS 45 CO 0.07 0.64 0.01 1.49 -0.57 0.00 0.00 179.45 181.09 1kkt h GLU 46 N 0.55 0.53 -0.97 3.15 4.22 -0.89 0.88 114.58 122.06 1kkt h GLU 46 Ca 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1kkt h GLU 46 Cb 0.42 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1kkt h GLU 46 CO 0.02 0.67 0.62 0.00 -2.18 0.00 0.00 179.01 178.14 1kkt h ALA 47 N 0.85 1.23 0.29 2.92 0.00 -1.10 0.19 119.26 123.64 1kkt h ALA 47 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1kkt h ALA 47 Cb 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kkt h ALA 47 CO 0.01 0.65 -0.14 0.35 0.00 0.00 0.00 179.25 180.13 1kkt h PHE 48 N 1.32 -0.35 -0.84 0.00 3.57 -0.98 -2.46 116.94 117.20 1kkt h PHE 48 Ca 0.35 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.97 1kkt h PHE 48 Cb -0.12 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1kkt h PHE 48 CO 0.00 -0.09 0.46 0.37 -2.23 0.00 0.00 178.31 176.83 1kkt h GLN 49 N -0.59 0.69 0.12 1.11 5.75 -0.47 0.62 115.11 122.35 1kkt h GLN 49 Ca -0.04 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1kkt h GLN 49 Cb 0.43 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1kkt h GLN 49 CO 0.06 0.46 -0.35 1.25 -2.65 0.00 0.00 178.83 177.60 1kkt h HIS 50 N 0.71 -0.97 -0.60 3.99 2.76 -0.48 0.17 115.15 120.73 1kkt h HIS 50 Ca 0.43 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.57 1kkt h HIS 50 Cb 0.51 0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 1kkt h HIS 50 CO -0.07 -0.46 0.13 0.00 -1.30 0.00 0.00 177.93 176.23 1kkt h ALA 51 N 0.02 1.11 -0.72 5.26 0.00 -0.89 -2.13 119.26 121.91 1kkt h ALA 51 Ca 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1kkt h ALA 51 Cb 0.61 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1kkt h ALA 51 CO -0.21 0.59 0.25 2.35 0.00 0.00 0.00 179.25 182.23 1kkt h TRP 52 N 0.89 1.14 -0.33 0.00 2.91 -0.44 0.03 115.95 120.15 1kkt h TRP 52 Ca 0.19 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 1kkt h TRP 52 Cb 0.34 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1kkt h TRP 52 CO 0.02 0.89 0.13 -0.91 -1.03 0.00 0.00 178.44 177.54 1kkt h ASN 53 N 1.06 0.45 -0.57 2.65 -0.26 -0.37 0.17 115.58 118.71 1kkt h ASN 53 Ca 0.24 -0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1kkt h ASN 53 Cb 0.27 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1kkt h ASN 53 CO -0.01 0.49 0.12 1.23 -1.06 0.00 0.00 177.43 178.20 1kkt h GLY 54 N 0.38 1.04 0.82 2.83 0.00 -1.17 0.49 103.07 107.46 1kkt h GLY 54 Ca 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1kkt h GLY 54 CO -0.01 0.60 0.02 -1.82 0.00 0.00 0.00 176.54 175.33 1kkt h TYR 55 N 0.92 0.32 -0.70 5.60 3.20 -0.73 -1.34 116.97 124.24 1kkt h TYR 55 Ca 0.19 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1kkt h TYR 55 Cb 0.37 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1kkt h TYR 55 CO 0.02 0.48 0.21 1.98 -1.64 0.00 0.00 178.16 179.22 1kkt h MET 56 N 0.07 1.08 -0.46 1.82 4.05 -0.84 0.25 114.93 120.90 1kkt h MET 56 Ca 0.05 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.19 1kkt h MET 56 Cb 0.34 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1kkt h MET 56 CO 0.01 0.92 0.07 -0.22 0.23 0.00 0.00 176.91 177.92 1kkt h LYS 57 N 1.04 0.77 0.00 0.39 3.64 -0.75 -3.37 116.57 118.28 1kkt h LYS 57 Ca 0.23 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1kkt h LYS 57 Cb 0.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1kkt h LYS 57 CO -0.01 0.78 -0.73 0.66 -2.27 0.00 0.00 179.45 177.89 1kkt n TYR 58 N -4.45 0.00 0.00 1.91 4.02 -0.52 -4.92 117.16 113.20 1kkt n TYR 58 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1kkt n TYR 58 Cb 0.25 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1kkt n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kkt n ALA 59 N -1.39 1.65 -1.59 -0.72 0.00 0.61 -4.39 120.51 114.68 1kkt n ALA 59 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 1kkt n ALA 59 Cb 0.10 0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 1kkt n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kkt n PHE 60 N -1.48 1.39 -0.23 0.00 7.35 0.35 0.08 117.46 124.92 1kkt n PHE 60 Ca 0.00 0.65 0.06 0.00 -0.76 0.00 0.00 57.45 57.40 1kkt n PHE 60 Cb 0.31 -2.30 0.29 0.00 0.35 0.00 0.00 39.48 38.13 1kkt n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1kkt n PRO 61 N 1.70 3.48 -0.61 -7.13 -0.04 -1.26 -4.99 135.00 126.15 1kkt n PRO 61 Ca 0.14 -2.24 -0.29 0.00 -0.04 0.00 0.00 63.50 61.07 1kkt n PRO 61 Cb 0.26 -1.90 0.23 0.00 -0.04 0.00 0.00 33.50 32.04 1kkt n PRO 61 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1kkt s HIS 62 N -2.04 1.45 0.21 0.54 3.76 0.11 -3.27 115.29 116.06 1kkt s HIS 62 Ca 0.39 1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 56.55 1kkt s HIS 62 Cb 0.28 -3.16 0.17 0.00 1.11 0.00 0.00 32.58 30.97 1kkt s HIS 62 CO 0.15 -3.56 1.88 -0.44 -0.85 0.00 0.00 174.74 171.92 1kkt h ASP 63 N -2.40 0.91 -5.14 1.40 3.32 -1.81 -3.40 116.42 109.30 1kkt h ASP 63 Ca -0.56 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 1kkt h ASP 63 Cb 1.32 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 1kkt h ASP 63 CO 0.48 0.68 -0.15 -1.83 -1.72 0.00 0.00 179.24 176.70 1kkt s GLU 64 N -6.09 1.15 0.18 3.56 1.03 -0.55 -0.86 118.70 117.12 1kkt s GLU 64 Ca -0.13 -0.91 -0.19 0.00 0.03 0.00 0.00 54.97 53.77 1kkt s GLU 64 Cb 0.15 0.44 -0.08 0.00 -0.80 0.00 0.00 34.13 33.85 1kkt s GLU 64 CO 0.79 -0.45 0.67 -1.17 -1.33 0.00 0.00 175.26 173.77 1kkt s LEU 65 N -2.87 4.40 -0.47 1.83 2.96 -1.26 -1.05 118.68 122.21 1kkt s LEU 65 Ca 0.09 1.36 -0.11 0.00 -0.22 0.00 0.00 54.13 55.25 1kkt s LEU 65 Cb 0.02 -3.38 0.11 0.00 0.50 0.00 0.00 46.19 43.43 1kkt s LEU 65 CO -0.06 0.11 0.35 0.42 -1.32 0.00 0.00 176.35 175.85 1kkt s THR 66 N -1.40 4.47 0.54 3.68 -4.23 -0.89 -3.70 115.64 114.11 1kkt s THR 66 Ca 0.39 -1.56 0.37 0.00 -1.18 0.00 0.00 61.69 59.70 1kkt s THR 66 Cb -0.18 -3.85 0.37 0.00 1.34 0.00 0.00 72.50 70.18 1kkt s THR 66 CO 0.21 -0.70 2.12 1.55 -0.54 0.00 0.00 174.62 177.26 1kkt h PRO 67 N 8.54 0.00 0.02 3.99 0.13 -1.84 0.94 132.00 143.78 1kkt h PRO 67 Ca -0.24 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.50 1kkt h PRO 67 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1kkt h PRO 67 CO 0.86 0.00 -2.31 0.28 -0.23 0.00 0.00 178.00 176.60 1kkt n VAL 68 N -2.89 1.55 1.34 1.56 0.31 -1.26 -4.42 118.33 114.53 1kkt n VAL 68 Ca -0.02 -0.48 0.13 0.00 -0.01 0.00 0.00 64.34 63.96 1kkt n VAL 68 Cb 0.17 -1.66 0.41 0.00 -0.91 0.00 0.00 33.84 31.85 1kkt n VAL 68 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kkt n SER 69 N -3.69 1.49 -3.62 4.52 3.41 -1.21 -4.96 113.62 109.56 1kkt n SER 69 Ca -0.45 -1.33 -0.24 0.00 -0.26 0.00 0.00 58.87 56.60 1kkt n SER 69 Cb 0.94 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 65.01 1kkt n SER 69 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kkt n ASN 70 N -0.03 -3.64 0.00 4.04 3.02 0.30 -4.99 115.26 113.96 1kkt n ASN 70 Ca 0.16 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1kkt n ASN 70 Cb 0.38 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 1kkt n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkt n GLY 71 N -1.56 5.27 3.12 7.41 0.00 -1.04 -4.90 105.19 113.49 1kkt n GLY 71 Ca -0.18 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1kkt n GLY 71 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kkt s HIS 72 N 1.63 0.23 0.09 1.61 -3.43 -1.26 -2.10 115.29 112.06 1kkt s HIS 72 Ca 0.00 -0.56 -0.02 0.00 -0.80 0.00 0.00 55.06 53.67 1kkt s HIS 72 Cb 0.00 -0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1kkt s HIS 72 CO 0.00 -0.38 0.05 0.00 -2.00 0.00 0.00 174.74 172.41 1kkt s ALA 73 N -2.82 0.52 -0.47 -1.38 0.00 -0.22 -4.82 121.76 112.58 1kkt s ALA 73 Ca -0.03 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.77 1kkt s ALA 73 Cb 0.00 0.57 0.22 0.00 0.00 0.00 0.00 23.12 23.91 1kkt s ALA 73 CO -0.06 -0.45 0.50 -0.25 0.00 0.00 0.00 175.76 175.50 1kkt n ASP 74 N -0.01 0.80 -0.14 0.00 8.00 -1.26 -1.48 116.55 122.46 1kkt n ASP 74 Ca -0.10 -2.76 0.14 0.00 0.71 0.00 0.00 54.79 52.78 1kkt n ASP 74 Cb 0.62 -0.63 0.56 0.00 -0.02 0.00 0.00 41.12 41.65 1kkt n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1kkt n SER 75 N 1.82 0.59 -2.70 -2.24 3.41 -1.26 -4.22 113.62 109.02 1kkt n SER 75 Ca 0.25 -0.64 -0.24 0.00 -0.26 0.00 0.00 58.87 57.98 1kkt n SER 75 Cb 0.48 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1kkt n SER 75 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kkt n ARG 76 N -0.89 2.90 -0.82 4.33 5.12 -1.26 -4.94 116.66 121.11 1kkt n ARG 76 Ca 0.14 -4.38 0.00 0.00 -1.93 0.00 0.00 57.85 51.68 1kkt n ARG 76 Cb 0.29 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 1kkt n ARG 76 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1kkt n ASN 77 N -0.30 -2.79 -0.18 0.55 4.13 -1.26 -3.81 115.26 111.61 1kkt n ASN 77 Ca 0.32 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.55 1kkt n ASN 77 Cb 0.59 -2.38 -0.01 0.00 -1.54 0.00 0.00 39.78 36.44 1kkt n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kkt n GLY 78 N -0.91 0.57 0.87 7.41 0.00 -1.26 -4.70 105.19 107.16 1kkt n GLY 78 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1kkt n GLY 78 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kkt n TRP 79 N -2.82 0.68 -1.31 1.61 7.02 -1.25 -4.74 117.44 116.65 1kkt n TRP 79 Ca -0.02 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 1kkt n TRP 79 Cb 0.14 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1kkt n TRP 79 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1kkt n GLY 80 N 0.99 0.75 0.25 6.99 0.00 -1.20 -4.91 105.19 108.05 1kkt n GLY 80 Ca 0.14 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1kkt n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkt h ALA 81 N 0.00 0.89 0.00 4.61 0.00 -1.77 -2.21 119.26 120.77 1kkt h ALA 81 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1kkt h ALA 81 Cb 0.78 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1kkt h ALA 81 CO 0.00 -0.15 -0.22 0.77 0.00 0.00 0.00 179.25 179.65 1kkt h SER 82 N 0.47 0.00 -0.03 0.00 0.02 -1.25 0.32 113.55 113.09 1kkt h SER 82 Ca 0.34 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1kkt h SER 82 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1kkt h SER 82 CO -0.31 0.22 -0.13 0.00 -1.14 0.00 0.00 176.83 175.48 1kkt h ALA 83 N 1.78 0.06 -0.42 3.77 0.00 -1.67 -2.60 119.26 120.18 1kkt h ALA 83 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1kkt h ALA 83 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kkt h ALA 83 CO 0.03 -0.03 -0.08 0.28 0.00 0.00 0.00 179.25 179.45 1kkt h VAL 84 N -0.44 1.27 -0.10 0.00 2.07 -1.24 -2.86 116.25 114.95 1kkt h VAL 84 Ca -0.01 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1kkt h VAL 84 Cb 0.77 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1kkt h VAL 84 CO 0.03 0.39 -0.20 0.44 0.02 0.00 0.00 177.57 178.25 1kkt h ASP 85 N 0.61 0.16 1.46 0.57 3.45 -1.04 -2.65 116.42 118.99 1kkt h ASP 85 Ca 0.11 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1kkt h ASP 85 Cb 0.60 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1kkt h ASP 85 CO 0.04 0.38 0.00 0.00 -1.57 0.00 0.00 179.24 178.09 1kkt h ALA 86 N 1.64 1.00 0.03 3.45 0.00 -1.30 -3.31 119.26 120.76 1kkt h ALA 86 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1kkt h ALA 86 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1kkt h ALA 86 CO 0.03 0.00 -0.49 1.25 0.00 0.00 0.00 179.25 180.04 1kkt h LEU 87 N 0.00 -1.49 -1.61 0.00 6.46 -1.25 0.01 115.31 117.44 1kkt h LEU 87 Ca 0.00 0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1kkt h LEU 87 Cb 0.73 0.57 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 1kkt h LEU 87 CO 0.00 -0.51 0.31 0.77 -0.62 0.00 0.00 178.44 178.39 1kkt h SER 88 N -0.65 0.44 -0.17 1.25 4.64 -1.78 -0.75 113.55 116.54 1kkt h SER 88 Ca 0.02 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1kkt h SER 88 Cb 0.71 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1kkt h SER 88 CO -0.33 0.31 -0.26 0.74 -0.87 0.00 0.00 176.83 176.42 1kkt h THR 89 N 0.52 1.35 -0.69 2.95 2.02 -1.65 -2.33 112.91 115.08 1kkt h THR 89 Ca 0.19 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1kkt h THR 89 Cb 0.11 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1kkt h THR 89 CO -0.05 0.44 0.37 0.00 0.37 0.00 0.00 175.52 176.66 1kkt h ALA 90 N 0.59 0.89 -0.60 6.16 0.00 -0.53 -0.24 119.26 125.53 1kkt h ALA 90 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1kkt h ALA 90 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1kkt h ALA 90 CO 0.06 0.41 0.34 0.28 0.00 0.00 0.00 179.25 180.34 1kkt h VAL 91 N 0.95 1.19 -0.17 0.00 2.07 -1.13 -0.25 116.25 118.91 1kkt h VAL 91 Ca 0.24 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1kkt h VAL 91 Cb 0.06 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1kkt h VAL 91 CO -0.04 0.20 -0.28 0.40 0.02 0.00 0.00 177.57 177.87 1kkt h ILE 92 N 0.81 1.26 -0.00 4.57 2.04 -1.08 -1.71 117.51 123.40 1kkt h ILE 92 Ca 0.21 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1kkt h ILE 92 Cb 0.01 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1kkt h ILE 92 CO -0.04 0.38 -0.02 0.23 0.00 0.00 0.00 178.15 178.71 1kkt n MET 93 N -4.12 0.45 -2.36 2.37 2.81 -0.13 -4.91 117.12 111.22 1kkt n MET 93 Ca -0.01 -0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 1kkt n MET 93 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1kkt n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kkt n GLY 94 N 1.29 -0.11 3.38 3.03 0.00 -0.19 -4.96 105.19 107.63 1kkt n GLY 94 Ca 0.14 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 1kkt n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkt s LYS 95 N -4.78 3.66 0.25 1.61 1.02 -0.70 -4.90 119.74 115.91 1kkt s LYS 95 Ca 0.05 -2.24 -0.05 0.00 0.02 0.00 0.00 55.97 53.74 1kkt s LYS 95 Cb -0.02 -4.65 0.29 0.00 -0.52 0.00 0.00 37.83 32.93 1kkt s LYS 95 CO 0.06 -1.49 1.92 0.00 -0.92 0.00 0.00 175.35 174.92 1kkt h ALA 96 N 8.10 1.30 -0.80 5.17 0.00 -1.87 -1.87 119.26 129.28 1kkt h ALA 96 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1kkt h ALA 96 Cb 1.02 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1kkt h ALA 96 CO 0.92 0.62 0.52 -0.44 0.00 0.00 0.00 179.25 180.87 1kkt h ASP 97 N 1.32 0.93 -0.11 0.00 3.45 -1.94 -0.16 116.42 119.91 1kkt h ASP 97 Ca 0.38 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.78 1kkt h ASP 97 Cb -0.09 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.44 1kkt h ASP 97 CO -0.10 0.68 -0.03 0.58 -1.57 0.00 0.00 179.24 178.80 1kkt h VAL 98 N 1.09 1.29 -0.26 -1.35 2.07 -1.89 -2.55 116.25 114.66 1kkt h VAL 98 Ca 0.29 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1kkt h VAL 98 Cb -0.11 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1kkt h VAL 98 CO -0.06 0.28 -0.10 0.58 0.02 0.00 0.00 177.57 178.29 1kkt h VAL 99 N -0.10 0.67 -0.64 2.57 2.07 -1.00 -1.77 116.25 118.05 1kkt h VAL 99 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1kkt h VAL 99 Cb 0.45 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1kkt h VAL 99 CO 0.01 0.00 0.40 0.78 0.02 0.00 0.00 177.57 178.78 1kkt h ASN 100 N -0.05 0.67 -0.74 0.57 2.35 -1.03 0.60 115.58 117.95 1kkt h ASN 100 Ca 0.13 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1kkt h ASN 100 Cb 0.25 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1kkt h ASN 100 CO -0.29 0.47 0.39 0.00 -1.65 0.00 0.00 177.43 176.35 1kkt h ALA 101 N 1.26 1.28 -0.27 -0.83 0.00 -1.09 -1.27 119.26 118.34 1kkt h ALA 101 Ca 0.25 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1kkt h ALA 101 Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1kkt h ALA 101 CO -0.09 0.58 -0.27 0.82 0.00 0.00 0.00 179.25 180.29 1kkt h ILE 102 N 1.06 1.31 -0.77 0.00 2.04 -0.70 -2.69 117.51 117.76 1kkt h ILE 102 Ca 0.26 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1kkt h ILE 102 Cb 0.05 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1kkt h ILE 102 CO -0.04 0.46 0.44 -0.07 0.00 0.00 0.00 178.15 178.94 1kkt h LEU 103 N 0.40 0.94 -0.84 1.44 3.38 -0.56 -0.81 115.31 119.25 1kkt h LEU 103 Ca 0.04 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1kkt h LEU 103 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1kkt h LEU 103 CO 0.07 0.74 -0.26 -0.33 0.09 0.00 0.00 178.44 178.75 1kkt h GLU 104 N 1.06 0.57 -0.03 1.13 5.08 -1.20 -2.71 114.58 118.49 1kkt h GLU 104 Ca 0.27 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1kkt h GLU 104 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1kkt h GLU 104 CO -0.05 0.78 -0.71 1.25 -1.00 0.00 0.00 179.01 179.28 1kkt h HIS 105 N 0.50 0.22 -0.20 4.33 2.76 -1.06 -3.08 115.15 118.62 1kkt h HIS 105 Ca 0.07 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1kkt h HIS 105 Cb 0.71 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1kkt h HIS 105 CO 0.03 0.82 -0.15 0.28 -1.30 0.00 0.00 177.93 177.61 1kkt h VAL 106 N 0.11 1.21 0.00 5.26 2.07 -0.91 -2.59 116.25 121.40 1kkt h VAL 106 Ca -0.02 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1kkt h VAL 106 Cb 1.26 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1kkt h VAL 106 CO 0.11 0.29 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 1kkt h ALA 107 N 1.54 1.15 -0.47 1.67 0.00 -1.40 -2.92 119.26 118.83 1kkt h ALA 107 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kkt h ALA 107 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1kkt h ALA 107 CO 0.03 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 1kkt n ASP 108 N -3.56 3.52 -4.75 0.00 5.75 -0.99 -4.95 116.55 111.58 1kkt n ASP 108 Ca -0.01 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.39 1kkt n ASP 108 Cb 0.36 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 1kkt n ASP 108 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1kkt s ILE 109 N -1.29 3.77 -0.48 2.12 1.01 -1.10 -5.00 121.20 120.23 1kkt s ILE 109 Ca 0.40 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.69 1kkt s ILE 109 Cb 0.22 -4.04 0.13 0.00 0.01 0.00 0.00 42.46 38.78 1kkt s ILE 109 CO 0.30 0.33 0.25 -0.62 0.00 0.00 0.00 174.94 175.20 1kkt s ASP 110 N -0.48 4.87 0.00 3.58 3.68 -1.26 -4.96 116.67 122.11 1kkt s ASP 110 Ca 0.47 -2.56 0.09 0.00 2.13 0.00 0.00 52.55 52.67 1kkt s ASP 110 Cb -0.30 -1.74 0.50 0.00 -1.45 0.00 0.00 42.92 39.94 1kkt s ASP 110 CO 0.37 -0.37 1.00 0.49 0.13 0.00 0.00 175.17 176.78 1kkt n PHE 111 N 3.79 0.00 1.06 -5.34 3.01 -1.26 -2.17 117.46 116.56 1kkt n PHE 111 Ca 0.04 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.62 1kkt n PHE 111 Cb 0.38 -0.05 0.20 0.00 -0.01 0.00 0.00 39.48 40.00 1kkt n PHE 111 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1kkt n SER 112 N -1.05 0.86 -4.20 4.37 3.41 -1.26 -4.86 113.62 110.90 1kkt n SER 112 Ca 0.06 -0.66 -0.32 0.00 -0.26 0.00 0.00 58.87 57.69 1kkt n SER 112 Cb 0.04 0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 1kkt n SER 112 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kkt s LYS 113 N -2.82 3.06 -0.20 4.33 1.02 -0.92 -4.82 119.74 119.39 1kkt s LYS 113 Ca 0.15 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 1kkt s LYS 113 Cb 0.18 -2.44 0.10 0.00 -0.52 0.00 0.00 37.83 35.15 1kkt s LYS 113 CO 0.67 0.03 0.89 -0.08 -0.92 0.00 0.00 175.35 175.94 1kkt s THR 114 N 0.71 0.00 -2.48 2.17 -1.32 -1.26 -4.93 115.64 108.53 1kkt s THR 114 Ca -0.09 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.65 1kkt s THR 114 Cb -0.16 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.18 1kkt s THR 114 CO 0.01 0.00 1.51 -1.54 -2.21 0.00 0.00 174.62 172.39 1kkt n SER 115 N 1.63 1.91 -4.56 8.08 3.41 -1.26 -4.92 113.62 117.91 1kkt n SER 115 Ca -0.14 -1.55 -0.26 0.00 -0.26 0.00 0.00 58.87 56.67 1kkt n SER 115 Cb 0.56 0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1kkt n SER 115 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kkt s ASP 116 N -2.13 4.18 0.64 4.04 1.01 -1.26 -5.11 116.67 118.04 1kkt s ASP 116 Ca 0.31 -0.67 -0.17 0.00 0.71 0.00 0.00 52.55 52.73 1kkt s ASP 116 Cb 0.20 -0.66 -0.01 0.00 1.01 0.00 0.00 42.92 43.46 1kkt s ASP 116 CO 0.38 0.07 1.16 0.28 0.21 0.00 0.00 175.17 177.27 1kkt s THR 117 N -1.94 2.88 -0.03 -1.27 -1.32 -1.26 -4.87 115.64 107.82 1kkt s THR 117 Ca 0.27 0.47 0.04 0.00 -1.21 0.00 0.00 61.69 61.26 1kkt s THR 117 Cb -0.08 -3.06 -0.03 0.00 -1.51 0.00 0.00 72.50 67.83 1kkt s THR 117 CO 0.16 -0.20 -0.15 0.68 -2.21 0.00 0.00 174.62 172.91 1kkt s VAL 118 N -1.99 3.03 -0.34 5.08 -7.23 0.52 -4.88 120.40 114.59 1kkt s VAL 118 Ca 0.72 -0.80 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 1kkt s VAL 118 Cb -0.25 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1kkt s VAL 118 CO 0.38 0.54 0.62 -0.55 -0.31 0.00 0.00 175.10 175.78 1kkt s SER 119 N -0.87 6.42 0.27 4.85 0.15 -1.26 -1.35 113.70 121.91 1kkt s SER 119 Ca 0.12 0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.93 1kkt s SER 119 Cb -0.11 -2.32 0.44 0.00 -1.71 0.00 0.00 66.02 62.32 1kkt s SER 119 CO 0.02 -0.55 1.88 0.25 1.20 0.00 0.00 173.24 176.03 1kkt h LEU 120 N 9.29 1.02 0.36 3.45 5.85 -0.63 -1.93 115.31 132.72 1kkt h LEU 120 Ca -0.27 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1kkt h LEU 120 Cb 1.11 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1kkt h LEU 120 CO 0.82 0.64 -0.17 0.15 -0.34 0.00 0.00 178.44 179.53 1kkt h PHE 121 N 1.15 -0.44 -0.89 1.25 3.04 -1.84 -1.92 116.94 117.28 1kkt h PHE 121 Ca 0.44 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.37 1kkt h PHE 121 Cb 0.22 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 1kkt h PHE 121 CO -0.00 -0.12 0.50 0.93 -2.02 0.00 0.00 178.31 177.59 1kkt h GLU 122 N -0.80 1.23 -0.38 1.11 4.39 -1.94 -1.32 114.58 116.88 1kkt h GLU 122 Ca -0.05 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1kkt h GLU 122 Cb 0.52 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1kkt h GLU 122 CO 0.08 0.89 -0.09 1.15 -1.16 0.00 0.00 179.01 179.88 1kkt h THR 123 N 1.24 1.24 -0.01 1.13 2.02 -1.40 -2.18 112.91 114.94 1kkt h THR 123 Ca 0.31 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1kkt h THR 123 Cb 0.01 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1kkt h THR 123 CO -0.05 0.36 -0.03 0.74 0.37 0.00 0.00 175.52 176.91 1kkt h THR 124 N 0.59 1.44 0.00 3.16 2.02 -0.78 -2.23 112.91 117.12 1kkt h THR 124 Ca 0.11 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1kkt h THR 124 Cb 0.51 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1kkt h THR 124 CO 0.03 0.35 -0.20 0.16 0.37 0.00 0.00 175.52 176.23 1kkt h ILE 125 N -0.50 0.46 0.00 3.11 3.07 -1.23 -1.74 117.51 120.68 1kkt h ILE 125 Ca 0.00 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.30 1kkt h ILE 125 Cb 0.59 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1kkt h ILE 125 CO 0.01 0.20 -0.12 0.54 -1.05 0.00 0.00 178.15 177.72 1kkt n ARG 126 N -3.32 0.07 0.37 0.16 1.74 -0.83 -4.40 116.66 110.45 1kkt n ARG 126 Ca 0.01 0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 1kkt n ARG 126 Cb 0.44 -0.64 -0.08 0.00 -1.02 0.00 0.00 32.46 31.16 1kkt n ARG 126 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1kkt h TYR 127 N -0.13 -0.87 0.48 -1.55 -1.99 -1.63 0.11 116.97 111.40 1kkt h TYR 127 Ca 0.00 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1kkt h TYR 127 Cb 0.12 0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1kkt h TYR 127 CO -0.05 -0.51 -0.34 1.25 -0.00 0.00 0.00 178.16 178.51 1kkt h LEU 128 N -1.10 -0.86 -1.14 3.88 6.46 -1.40 -1.76 115.31 119.39 1kkt h LEU 128 Ca -0.10 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1kkt h LEU 128 Cb 0.75 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1kkt h LEU 128 CO 0.16 -0.51 0.04 0.00 -0.62 0.00 0.00 178.44 177.51 1kkt h ALA 129 N -0.37 1.30 -0.49 1.25 0.00 -1.43 -1.99 119.26 117.52 1kkt h ALA 129 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kkt h ALA 129 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1kkt h ALA 129 CO 0.03 0.48 0.29 0.78 0.00 0.00 0.00 179.25 180.83 1kkt h GLY 130 N 0.89 0.71 1.15 0.00 0.00 -0.51 0.16 103.07 105.47 1kkt h GLY 130 Ca 0.13 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 1kkt h GLY 130 CO 0.01 0.29 -0.68 -0.33 0.00 0.00 0.00 176.54 175.83 1kkt h MET 131 N 0.65 0.82 -0.41 4.80 2.86 -1.21 -2.14 114.93 120.31 1kkt h MET 131 Ca 0.18 -0.61 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1kkt h MET 131 Cb -0.00 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1kkt h MET 131 CO -0.03 1.23 0.22 -0.07 1.06 0.00 0.00 176.91 179.31 1kkt h LEU 132 N 0.58 0.51 -0.29 1.22 4.07 -1.23 0.07 115.31 120.24 1kkt h LEU 132 Ca -0.03 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1kkt h LEU 132 Cb 1.30 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1kkt h LEU 132 CO 0.14 0.46 0.18 -1.28 -1.08 0.00 0.00 178.44 176.87 1kkt h SER 133 N 0.52 0.35 -0.59 -0.43 0.87 -0.69 -0.11 113.55 113.46 1kkt h SER 133 Ca 0.14 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1kkt h SER 133 Cb 0.07 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 1kkt h SER 133 CO -0.02 0.28 0.27 1.23 -0.53 0.00 0.00 176.83 178.06 1kkt h GLY 134 N 0.38 0.84 0.99 5.77 0.00 -1.00 -0.28 103.07 109.77 1kkt h GLY 134 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1kkt h GLY 134 CO -0.02 0.06 -0.05 -1.82 0.00 0.00 0.00 176.54 174.71 1kkt h TYR 135 N 0.49 -0.12 -0.64 5.60 5.03 -0.32 -0.63 116.97 126.38 1kkt h TYR 135 Ca 0.28 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1kkt h TYR 135 Cb 0.27 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 1kkt h TYR 135 CO -0.13 -0.07 0.31 -0.44 -1.32 0.00 0.00 178.16 176.52 1kkt h ASP 136 N -0.14 0.81 -0.07 -2.11 3.32 -0.57 -0.93 116.42 116.72 1kkt h ASP 136 Ca -0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1kkt h ASP 136 Cb 0.11 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1kkt h ASP 136 CO 0.02 0.68 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.06 1kkt h LEU 137 N 0.90 0.21 -1.20 1.55 3.38 -0.89 -2.24 115.31 117.02 1kkt h LEU 137 Ca 0.22 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1kkt h LEU 137 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kkt h LEU 137 CO -0.03 0.68 -0.01 -0.07 0.09 0.00 0.00 178.44 179.10 1kkt h LEU 138 N -0.26 0.00 0.00 1.67 3.38 -1.02 0.57 115.31 119.65 1kkt h LEU 138 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1kkt h LEU 138 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1kkt h LEU 138 CO 0.02 0.01 -0.72 1.67 0.09 0.00 0.00 178.44 179.51 1kkt n GLN 139 N -3.10 0.22 0.00 1.13 -0.06 -0.36 -3.25 117.38 111.96 1kkt n GLN 139 Ca 0.01 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1kkt n GLN 139 Cb 0.35 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 1kkt n GLN 139 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1kkt n GLY 140 N 1.39 1.51 0.36 1.69 0.00 -0.85 -4.78 105.19 104.51 1kkt n GLY 140 Ca 0.03 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1kkt n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkt h PRO 141 N 0.00 0.00 -0.20 1.61 0.13 -1.78 -1.29 132.00 130.47 1kkt h PRO 141 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1kkt h PRO 141 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1kkt h PRO 141 CO 0.00 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 177.63 1kkt n ALA 142 N -2.03 3.57 -0.01 -0.56 0.00 0.14 -4.80 120.51 116.83 1kkt n ALA 142 Ca 0.01 -2.92 0.23 0.00 0.00 0.00 0.00 53.44 50.76 1kkt n ALA 142 Cb 0.49 -0.60 0.72 0.00 0.00 0.00 0.00 19.45 20.07 1kkt n ALA 142 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kkt h LYS 143 N 0.99 0.00 -0.66 0.00 1.57 -1.21 -2.21 116.57 115.06 1kkt h LYS 143 Ca 0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1kkt h LYS 143 Cb 1.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 1kkt h LYS 143 CO 0.21 0.00 0.11 0.09 -0.57 0.00 0.00 179.45 179.29 1kkt n ASN 144 N -3.93 5.36 -0.02 0.86 5.03 -1.26 -4.49 115.26 116.81 1kkt n ASN 144 Ca 0.11 -3.03 -0.09 0.00 0.87 0.00 0.00 54.58 52.44 1kkt n ASN 144 Cb 0.75 -0.71 -0.14 0.00 -1.02 0.00 0.00 39.78 38.66 1kkt n ASN 144 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1kkt n LEU 145 N 0.32 0.92 -4.19 3.41 7.94 -0.83 -4.95 117.00 119.62 1kkt n LEU 145 Ca 0.33 0.39 -0.19 0.00 -1.11 0.00 0.00 56.01 55.42 1kkt n LEU 145 Cb 1.27 0.12 -0.12 0.00 0.53 0.00 0.00 43.42 45.22 1kkt n LEU 145 CO 0.37 0.42 -0.46 -0.69 -1.11 0.00 0.00 177.39 175.91 1kkt s VAL 146 N -2.59 1.20 -0.15 1.96 1.01 -1.26 -4.81 120.40 115.76 1kkt s VAL 146 Ca -0.06 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.42 1kkt s VAL 146 Cb 0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 1kkt s VAL 146 CO 0.82 -0.22 0.15 0.44 0.00 0.00 0.00 175.10 176.29 1kkt h ASP 147 N 4.20 0.00 -1.63 3.32 3.32 -1.93 -3.46 116.42 120.25 1kkt h ASP 147 Ca -0.41 -0.32 -0.57 0.00 0.02 0.00 0.00 57.03 55.75 1kkt h ASP 147 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1kkt h ASP 147 CO 0.41 0.92 1.53 -3.20 -1.72 0.00 0.00 179.24 177.18 1kkt n ASN 148 N -4.61 2.67 0.20 6.45 2.85 -1.26 -4.80 115.26 116.75 1kkt n ASN 148 Ca -0.12 0.04 0.09 0.00 -0.11 0.00 0.00 54.58 54.48 1kkt n ASN 148 Cb 0.34 -1.48 0.26 0.00 1.24 0.00 0.00 39.78 40.14 1kkt n ASN 148 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1kkt h GLN 149 N 15.73 0.00 -0.08 1.20 5.75 -2.01 -3.16 115.11 132.56 1kkt h GLN 149 Ca -0.32 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.03 1kkt h GLN 149 Cb 1.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 1kkt h GLN 149 CO 1.04 0.23 -0.59 -0.44 -2.65 0.00 0.00 178.83 176.43 1kkt h ASP 150 N 0.00 0.28 0.59 -0.69 5.19 -1.99 -1.56 116.42 118.23 1kkt h ASP 150 Ca -0.00 -0.16 -0.13 0.00 -0.62 0.00 0.00 57.03 56.12 1kkt h ASP 150 Cb 1.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 1kkt h ASP 150 CO 0.03 0.81 -0.61 -0.07 -3.12 0.00 0.00 179.24 176.28 1kkt h LEU 151 N 0.19 0.03 -0.04 1.55 3.38 -1.94 -1.85 115.31 116.62 1kkt h LEU 151 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1kkt h LEU 151 Cb 1.09 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1kkt h LEU 151 CO 0.09 0.63 -0.36 0.40 0.09 0.00 0.00 178.44 179.29 1kkt h ILE 152 N 0.02 1.45 0.00 1.22 2.04 -1.55 -3.08 117.51 117.61 1kkt h ILE 152 Ca -0.01 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 1kkt h ILE 152 Cb 1.08 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1kkt h ILE 152 CO 0.08 0.52 -0.18 0.44 0.00 0.00 0.00 178.15 179.02 1kkt h ASP 153 N -0.21 0.00 -0.01 1.72 3.32 -1.27 -1.41 116.42 118.56 1kkt h ASP 153 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1kkt h ASP 153 Cb 1.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1kkt h ASP 153 CO 0.07 0.18 0.01 1.23 -1.72 0.00 0.00 179.24 179.01 1kkt h GLY 154 N 0.60 0.00 1.01 2.75 0.00 -1.24 -1.90 103.07 104.29 1kkt h GLY 154 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1kkt h GLY 154 CO 0.02 0.00 0.33 1.41 0.00 0.00 0.00 176.54 178.30 1kkt h LEU 155 N 0.00 0.92 -0.17 3.11 3.38 -1.27 -0.58 115.31 120.70 1kkt h LEU 155 Ca 0.00 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 1kkt h LEU 155 Cb 0.02 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1kkt h LEU 155 CO -0.00 0.80 -0.59 0.25 0.09 0.00 0.00 178.44 178.98 1kkt h LEU 156 N 0.97 0.81 0.08 1.67 5.85 -1.49 -1.90 115.31 121.30 1kkt h LEU 156 Ca 0.24 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1kkt h LEU 156 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1kkt h LEU 156 CO -0.03 1.28 -0.12 0.44 -0.34 0.00 0.00 178.44 179.66 1kkt h ASP 157 N 0.39 -0.33 0.14 1.25 3.45 -1.32 -1.32 116.42 118.68 1kkt h ASP 157 Ca -0.03 0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1kkt h ASP 157 Cb 1.22 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 40.11 1kkt h ASP 157 CO 0.12 -0.18 -0.17 1.56 -1.57 0.00 0.00 179.24 179.00 1kkt h GLN 158 N -0.25 0.06 -0.53 3.56 1.08 -1.14 -0.89 115.11 117.00 1kkt h GLN 158 Ca 0.02 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 1kkt h GLN 158 Cb 0.26 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1kkt h GLN 158 CO -0.06 0.24 -0.09 0.77 -0.95 0.00 0.00 178.83 178.74 1kkt h SER 159 N 0.06 0.97 -0.28 1.46 0.02 -0.88 -0.72 113.55 114.18 1kkt h SER 159 Ca 0.01 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1kkt h SER 159 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1kkt h SER 159 CO 0.02 1.07 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.67 1kkt h ARG 160 N 0.88 0.51 -0.79 3.45 2.43 -0.41 -1.71 114.38 118.73 1kkt h ARG 160 Ca 0.14 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1kkt h ARG 160 Cb 0.63 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1kkt h ARG 160 CO 0.04 0.68 0.44 -0.91 -1.51 0.00 0.00 179.97 178.71 1kkt h ASN 161 N 0.28 0.97 -0.22 -3.80 2.35 -1.01 0.13 115.58 114.29 1kkt h ASN 161 Ca 0.08 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1kkt h ASN 161 Cb 0.47 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1kkt h ASN 161 CO 0.02 0.77 0.02 0.25 -1.65 0.00 0.00 177.43 176.84 1kkt h LEU 162 N 1.10 0.36 -0.93 1.61 5.85 -0.99 -2.25 115.31 120.05 1kkt h LEU 162 Ca 0.28 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1kkt h LEU 162 Cb 0.01 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1kkt h LEU 162 CO -0.05 0.55 0.55 0.00 -0.34 0.00 0.00 178.44 179.15 1kkt h ALA 163 N 0.82 1.19 -0.43 1.25 0.00 -0.88 -2.43 119.26 118.79 1kkt h ALA 163 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1kkt h ALA 163 Cb 0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1kkt h ALA 163 CO 0.01 0.66 0.13 -0.44 0.00 0.00 0.00 179.25 179.61 1kkt h ASP 164 N 1.29 0.56 1.34 0.00 3.45 -0.81 0.47 116.42 122.72 1kkt h ASP 164 Ca 0.33 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.65 1kkt h ASP 164 Cb -0.04 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1kkt h ASP 164 CO -0.06 0.54 -0.31 1.62 -1.57 0.00 0.00 179.24 179.47 1kkt h VAL 165 N 0.61 0.60 0.00 -1.35 3.04 -0.97 -3.33 116.25 114.85 1kkt h VAL 165 Ca 0.14 -1.58 -0.07 0.00 -1.01 0.00 0.00 66.70 64.19 1kkt h VAL 165 Cb 0.19 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1kkt h VAL 165 CO -0.01 0.30 -1.75 0.18 -1.01 0.00 0.00 177.57 175.29 1kkt n LEU 166 N -3.27 0.31 0.33 3.16 4.77 -0.84 -4.58 117.00 116.87 1kkt n LEU 166 Ca 0.02 0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 1kkt n LEU 166 Cb 0.58 0.06 1.01 0.00 -2.33 0.00 0.00 43.42 42.73 1kkt n LEU 166 CO 0.36 0.04 1.16 0.07 -1.33 0.00 0.00 177.39 177.69 1kkt h LYS 167 N 0.00 0.00 0.00 3.23 2.10 -1.04 -1.31 116.57 119.55 1kkt h LYS 167 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1kkt h LYS 167 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1kkt h LYS 167 CO 0.01 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.73 1kkt h PHE 168 N 0.00 0.00 -0.24 0.07 -5.15 -1.83 -1.90 116.94 107.88 1kkt h PHE 168 Ca 0.01 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1kkt h PHE 168 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.51 1kkt h PHE 168 CO 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 178.31 176.45 1kkt h ALA 169 N 2.10 1.80 -0.00 12.09 0.00 -1.57 -1.31 119.26 132.37 1kkt h ALA 169 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kkt h ALA 169 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1kkt h ALA 169 CO 0.00 0.18 -0.04 1.19 0.00 0.00 0.00 179.25 180.58 1kkt n PHE 170 N -4.48 0.00 -1.79 0.00 3.01 -0.71 -2.35 117.46 111.14 1kkt n PHE 170 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1kkt n PHE 170 Cb 0.08 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1kkt n PHE 170 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1kkt n ASP 171 N -1.08 4.92 -4.62 4.37 4.64 -0.50 -4.41 116.55 119.88 1kkt n ASP 171 Ca 0.16 -2.86 -0.30 0.00 -1.38 0.00 0.00 54.79 50.41 1kkt n ASP 171 Cb 0.24 -1.60 -0.09 0.00 -1.04 0.00 0.00 41.12 38.63 1kkt n ASP 171 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1kkt s THR 172 N 2.39 1.34 0.15 5.18 -4.23 -1.26 -5.04 115.64 114.17 1kkt s THR 172 Ca 0.49 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 1kkt s THR 172 Cb 0.14 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1kkt s THR 172 CO -0.07 0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.10 1kkt h PRO 173 N 1.59 0.19 0.10 3.99 0.11 -1.83 -3.23 132.00 132.92 1kkt h PRO 173 Ca -0.43 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.37 1kkt h PRO 173 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1kkt h PRO 173 CO 0.74 0.12 -1.57 0.66 -0.21 0.00 0.00 178.00 177.74 1kkt h SER 174 N 0.19 0.33 0.00 -2.05 4.64 -1.60 -3.48 113.55 111.57 1kkt h SER 174 Ca 0.15 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1kkt h SER 174 Cb 0.15 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1kkt h SER 174 CO -0.18 1.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.80 1kkt n GLY 175 N 1.67 1.63 3.68 -0.77 0.00 -1.22 -4.88 105.19 105.29 1kkt n GLY 175 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1kkt n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkt s VAL 176 N -2.05 3.86 0.84 1.61 1.01 -1.26 -4.35 120.40 120.05 1kkt s VAL 176 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1kkt s VAL 176 Cb 0.00 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1kkt s VAL 176 CO 0.00 -0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.01 1kkt s PRO 177 N 3.01 1.70 -0.11 2.72 0.04 -1.26 -4.67 135.00 136.43 1kkt s PRO 177 Ca 0.63 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.94 1kkt s PRO 177 Cb -0.29 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1kkt s PRO 177 CO 0.24 -1.84 0.45 0.71 0.04 0.00 0.00 177.00 176.60 1kkt s TYR 178 N -3.25 3.53 0.04 0.56 1.51 -0.99 -4.79 117.35 113.96 1kkt s TYR 178 Ca 0.62 0.87 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 1kkt s TYR 178 Cb -0.14 -2.50 -0.26 0.00 -0.11 0.00 0.00 41.96 38.95 1kkt s TYR 178 CO 0.53 0.23 1.00 -0.97 -1.11 0.00 0.00 175.55 175.22 1kkt h ASN 179 N 6.50 0.28 -3.31 2.29 -1.24 -1.93 -3.43 115.58 114.74 1kkt h ASN 179 Ca -0.42 -0.36 -0.73 0.00 0.71 0.00 0.00 56.30 55.50 1kkt h ASN 179 Cb 1.18 -0.09 -0.26 0.00 0.73 0.00 0.00 38.32 39.88 1kkt h ASN 179 CO 0.74 1.29 -0.37 0.20 -1.29 0.00 0.00 177.43 178.01 1kkt s ASN 180 N -6.88 5.91 0.32 1.15 0.02 -1.26 0.11 114.94 114.30 1kkt s ASN 180 Ca -0.05 -1.57 0.08 0.00 -1.02 0.00 0.00 52.86 50.29 1kkt s ASN 180 Cb 0.08 -2.09 -0.06 0.00 0.02 0.00 0.00 41.25 39.19 1kkt s ASN 180 CO 0.85 -0.66 -0.06 0.27 0.02 0.00 0.00 177.10 177.52 1kkt s ILE 181 N 1.51 1.92 -0.33 0.60 -4.36 -0.46 -2.03 121.20 118.06 1kkt s ILE 181 Ca 0.04 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1kkt s ILE 181 Cb -0.25 -2.60 0.07 0.00 1.25 0.00 0.00 42.46 40.93 1kkt s ILE 181 CO 0.03 -0.21 0.04 0.21 0.24 0.00 0.00 174.94 175.25 1kkt s ASN 182 N -3.54 4.89 0.22 4.36 3.84 -0.76 -0.35 114.94 123.60 1kkt s ASN 182 Ca 0.32 -1.60 0.23 0.00 0.21 0.00 0.00 52.86 52.02 1kkt s ASN 182 Cb 0.04 -1.70 0.93 0.00 -0.55 0.00 0.00 41.25 39.97 1kkt s ASN 182 CO 0.15 -0.33 1.69 2.30 -2.79 0.00 0.00 177.10 178.11 1kkt n ILE 183 N 4.53 0.83 -0.05 -5.21 -5.35 -1.26 -2.74 119.36 110.11 1kkt n ILE 183 Ca -0.08 0.21 -0.01 0.00 -0.27 0.00 0.00 62.75 62.59 1kkt n ILE 183 Cb 0.42 -1.11 -0.00 0.00 -1.74 0.00 0.00 39.64 37.21 1kkt n ILE 183 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1kkt h THR 184 N 0.00 0.00 -3.17 7.28 1.35 -1.93 -3.40 112.91 113.04 1kkt h THR 184 Ca 0.00 -0.94 -0.75 0.00 -0.55 0.00 0.00 66.41 64.17 1kkt h THR 184 Cb 0.37 0.00 -0.26 0.00 -1.73 0.00 0.00 68.15 66.53 1kkt h THR 184 CO 0.00 0.00 -0.28 -0.94 -0.25 0.00 0.00 175.52 174.05 1kkt s SER 185 N -5.45 6.02 0.00 5.36 1.04 -1.22 -4.92 113.70 114.53 1kkt s SER 185 Ca -0.04 -1.85 0.00 0.00 0.48 0.00 0.00 55.95 54.54 1kkt s SER 185 Cb 0.01 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1kkt s SER 185 CO 0.06 -0.80 0.00 1.41 0.98 0.00 0.00 173.24 174.89 1kkt n HIS 186 N 5.11 0.00 -1.58 5.02 -0.00 -1.11 -4.36 115.22 118.31 1kkt n HIS 186 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.42 1kkt n HIS 186 Cb 0.40 -0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.52 1kkt n HIS 186 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1kkt n GLY 187 N 0.40 -1.37 0.77 -1.41 0.00 -1.21 -4.82 105.19 97.55 1kkt n GLY 187 Ca 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 1kkt n GLY 187 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kkt n ASN 188 N -3.54 -0.32 0.23 1.61 0.23 -1.26 -1.84 115.26 110.37 1kkt n ASN 188 Ca 0.10 -1.43 0.06 0.00 -0.53 0.00 0.00 54.58 52.79 1kkt n ASN 188 Cb 0.36 0.60 0.54 0.00 -2.08 0.00 0.00 39.78 39.20 1kkt n ASN 188 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1kkt h ASP 189 N 0.45 0.00 0.00 0.53 3.58 -1.80 -3.46 116.42 115.72 1kkt h ASP 189 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1kkt h ASP 189 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1kkt h ASP 189 CO 0.08 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 1kkt n GLY 190 N -1.02 0.84 3.63 -0.78 0.00 -1.26 -5.02 105.19 101.58 1kkt n GLY 190 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1kkt n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkt n ALA 191 N -0.57 0.31 -0.03 4.61 0.00 -1.26 -4.95 120.51 118.62 1kkt n ALA 191 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1kkt n ALA 191 Cb 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.17 1kkt n ALA 191 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kkt n THR 192 N -1.47 0.25 -4.31 0.00 -2.24 -1.26 -4.95 114.28 100.30 1kkt n THR 192 Ca 0.13 -0.52 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1kkt n THR 192 Cb 0.46 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 1kkt n THR 192 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kkt s THR 193 N -3.21 1.42 0.02 4.28 -4.23 -1.26 -1.26 115.64 111.40 1kkt s THR 193 Ca -0.08 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1kkt s THR 193 Cb 0.11 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1kkt s THR 193 CO 0.82 -0.62 -0.21 0.21 -0.54 0.00 0.00 174.62 174.28 1kkt s ASN 194 N -3.26 2.46 0.77 3.99 2.47 1.00 -4.88 114.94 117.49 1kkt s ASN 194 Ca 0.21 -0.47 -0.11 0.00 0.42 0.00 0.00 52.86 52.90 1kkt s ASN 194 Cb 0.02 -0.23 0.06 0.00 -1.45 0.00 0.00 41.25 39.65 1kkt s ASN 194 CO 0.05 0.19 1.11 -0.83 -3.72 0.00 0.00 177.10 173.89 1kkt s GLY 195 N -0.94 1.79 0.06 1.21 0.00 -1.26 -0.11 107.32 108.06 1kkt s GLY 195 Ca 0.08 0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.91 1kkt s GLY 195 CO 0.01 0.74 1.58 -2.00 0.00 0.00 0.00 173.10 173.43 1kkt h LEU 196 N -0.99 -0.30 -0.40 0.66 6.46 -1.38 -1.99 115.31 117.38 1kkt h LEU 196 Ca -0.44 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.19 1kkt h LEU 196 Cb 1.24 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1kkt h LEU 196 CO 0.50 -0.13 -0.02 0.00 -0.62 0.00 0.00 178.44 178.17 1kkt h ALA 197 N 0.26 0.54 0.00 1.25 0.00 -1.44 0.31 119.26 120.17 1kkt h ALA 197 Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1kkt h ALA 197 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kkt h ALA 197 CO 0.06 0.33 -0.06 -0.39 0.00 0.00 0.00 179.25 179.19 1kkt h VAL 198 N 0.53 0.28 0.12 0.00 -1.51 -1.79 -1.42 116.25 112.46 1kkt h VAL 198 Ca 0.11 -0.40 -0.37 0.00 -1.23 0.00 0.00 66.70 64.82 1kkt h VAL 198 Cb 0.51 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1kkt h VAL 198 CO 0.02 0.06 -2.02 0.41 -1.23 0.00 0.00 177.57 174.81 1kkt n THR 199 N -3.35 1.77 0.68 7.19 -1.04 -0.75 -4.38 114.28 114.40 1kkt n THR 199 Ca -0.01 -0.65 0.06 0.00 -2.04 0.00 0.00 64.05 61.40 1kkt n THR 199 Cb 0.21 -1.72 0.18 0.00 -1.82 0.00 0.00 70.33 67.18 1kkt n THR 199 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kkt n GLY 200 N 2.01 0.97 2.26 3.41 0.00 0.10 -4.22 105.19 109.71 1kkt n GLY 200 Ca -0.32 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1kkt n GLY 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kkt n THR 201 N 0.62 2.32 0.00 2.61 -1.04 -0.56 -4.48 114.28 113.74 1kkt n THR 201 Ca 0.13 -4.30 0.00 0.00 -2.04 0.00 0.00 64.05 57.84 1kkt n THR 201 Cb 0.37 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1kkt n THR 201 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kkt n LEU 202 N -0.60 0.00 -0.06 -4.42 4.77 -1.26 -4.78 117.00 110.65 1kkt n LEU 202 Ca 0.38 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1kkt n LEU 202 Cb 0.85 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.43 1kkt n LEU 202 CO 0.35 0.00 1.18 1.62 -1.33 0.00 0.00 177.39 179.21 1kkt h VAL 203 N 0.00 0.93 -0.05 4.08 3.04 -1.86 -2.30 116.25 120.10 1kkt h VAL 203 Ca 0.00 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.53 1kkt h VAL 203 Cb 0.30 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1kkt h VAL 203 CO 0.00 0.08 -0.01 0.25 -1.01 0.00 0.00 177.57 176.87 1kkt h LEU 204 N 0.42 0.09 -0.06 3.16 6.46 -1.93 -2.23 115.31 121.23 1kkt h LEU 204 Ca 0.25 -0.38 -0.16 0.00 -0.12 0.00 0.00 57.88 57.47 1kkt h LEU 204 Cb 0.44 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1kkt h LEU 204 CO -0.07 0.45 -0.77 1.05 -0.62 0.00 0.00 178.44 178.49 1kkt h GLU 205 N -0.26 0.00 0.02 1.25 9.09 -1.90 -2.25 114.58 120.53 1kkt h GLU 205 Ca 0.01 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.22 1kkt h GLU 205 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 1kkt h GLU 205 CO 0.01 0.77 -0.93 -1.49 0.05 0.00 0.00 179.01 177.41 1kkt h TRP 206 N 0.00 0.26 -0.01 2.06 4.06 -1.49 -2.34 115.95 118.49 1kkt h TRP 206 Ca -0.01 -0.15 -0.20 0.00 2.06 0.00 0.00 58.89 60.59 1kkt h TRP 206 Cb 1.56 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.69 1kkt h TRP 206 CO 0.00 1.00 -0.85 1.15 -3.56 0.00 0.00 178.44 176.19 1kkt h THR 207 N 0.08 1.46 -0.44 1.49 2.02 -1.46 -2.71 112.91 113.35 1kkt h THR 207 Ca -0.05 -2.48 -0.10 0.00 0.77 0.00 0.00 66.41 64.56 1kkt h THR 207 Cb 1.59 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 70.36 1kkt h THR 207 CO 0.14 0.73 -0.11 -0.09 0.37 0.00 0.00 175.52 176.56 1kkt h ARG 208 N 0.15 0.80 -0.66 6.66 9.65 -1.36 -0.99 114.38 128.63 1kkt h ARG 208 Ca -0.05 -0.27 -0.05 0.00 -1.10 0.00 0.00 59.98 58.52 1kkt h ARG 208 Cb 1.46 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 1kkt h ARG 208 CO 0.13 0.87 0.21 1.25 2.80 0.00 0.00 179.97 185.24 1kkt h LEU 209 N 0.72 0.95 -0.26 3.80 5.85 -1.34 -2.03 115.31 123.00 1kkt h LEU 209 Ca 0.12 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1kkt h LEU 209 Cb 0.60 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1kkt h LEU 209 CO 0.04 0.90 0.11 0.28 -0.34 0.00 0.00 178.44 179.43 1kkt h SER 210 N 0.95 0.35 -0.31 1.25 0.02 -1.15 -1.18 113.55 113.48 1kkt h SER 210 Ca 0.21 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1kkt h SER 210 Cb 0.28 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1kkt h SER 210 CO -0.01 0.41 0.21 0.44 -1.14 0.00 0.00 176.83 176.74 1kkt h ASP 211 N 0.27 0.30 0.90 3.07 3.32 -0.96 0.13 116.42 123.45 1kkt h ASP 211 Ca 0.09 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1kkt h ASP 211 Cb 0.16 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1kkt h ASP 211 CO -0.01 0.21 -1.18 -0.07 -1.72 0.00 0.00 179.24 176.47 1kkt h LEU 212 N 0.35 0.00 0.00 1.55 3.38 -1.12 -3.37 115.31 116.11 1kkt h LEU 212 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1kkt h LEU 212 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1kkt h LEU 212 CO -0.03 0.69 -1.84 0.35 0.09 0.00 0.00 178.44 177.71 1kkt n THR 213 N -3.06 0.39 -0.70 0.22 -2.24 -0.47 -4.96 114.28 103.46 1kkt n THR 213 Ca -0.07 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1kkt n THR 213 Cb 0.86 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1kkt n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkt n GLY 214 N 1.32 0.91 3.48 3.38 0.00 0.45 -5.00 105.19 109.73 1kkt n GLY 214 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1kkt n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kkt s ASP 215 N -3.02 6.20 0.22 1.61 3.68 -1.21 -4.95 116.67 119.19 1kkt s ASP 215 Ca 0.00 -0.71 0.22 0.00 2.13 0.00 0.00 52.55 54.19 1kkt s ASP 215 Cb 0.00 -2.23 0.92 0.00 -1.45 0.00 0.00 42.92 40.16 1kkt s ASP 215 CO 0.00 -0.60 1.66 -0.62 0.13 0.00 0.00 175.17 175.74 1kkt n GLU 216 N 5.62 0.16 -0.26 4.34 -0.58 -1.26 -3.90 120.64 124.76 1kkt n GLU 216 Ca -0.07 0.40 0.04 0.00 -0.42 0.00 0.00 57.16 57.11 1kkt n GLU 216 Cb 0.47 -1.81 0.17 0.00 -0.57 0.00 0.00 31.44 29.70 1kkt n GLU 216 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1kkt h GLU 217 N 0.00 0.54 -0.44 3.49 4.81 -1.96 -1.10 114.58 119.91 1kkt h GLU 217 Ca 0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1kkt h GLU 217 Cb 0.33 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1kkt h GLU 217 CO 0.00 0.35 0.10 1.88 -0.73 0.00 0.00 179.01 180.61 1kkt h TYR 218 N 0.55 0.75 -0.42 0.92 0.05 -1.83 -1.66 116.97 115.33 1kkt h TYR 218 Ca 0.39 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 59.04 1kkt h TYR 218 Cb 0.51 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1kkt h TYR 218 CO -0.12 0.70 0.08 0.00 -1.05 0.00 0.00 178.16 177.76 1kkt h ALA 219 N 0.96 0.55 -0.62 3.88 0.00 -1.53 -2.88 119.26 119.62 1kkt h ALA 219 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1kkt h ALA 219 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1kkt h ALA 219 CO 0.00 0.25 0.36 0.87 0.00 0.00 0.00 179.25 180.74 1kkt h LYS 220 N 0.54 0.85 0.38 0.00 1.57 -1.05 -0.79 116.57 118.06 1kkt h LYS 220 Ca 0.13 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1kkt h LYS 220 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1kkt h LYS 220 CO 0.01 0.62 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.25 1kkt h LEU 221 N 0.84 -0.43 -0.61 2.94 3.38 -1.28 -1.84 115.31 118.32 1kkt h LEU 221 Ca 0.22 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1kkt h LEU 221 Cb -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1kkt h LEU 221 CO -0.04 -0.19 0.11 0.77 0.09 0.00 0.00 178.44 179.18 1kkt h SER 222 N -0.65 0.96 0.25 -0.43 4.64 -1.49 -2.59 113.55 114.24 1kkt h SER 222 Ca -0.05 -0.25 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1kkt h SER 222 Cb 0.47 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1kkt h SER 222 CO 0.08 0.97 -0.34 1.56 -0.87 0.00 0.00 176.83 178.24 1kkt h GLN 223 N 0.91 0.14 -0.47 4.77 4.20 -1.17 -0.22 115.11 123.28 1kkt h GLN 223 Ca 0.19 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1kkt h GLN 223 Cb 0.41 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1kkt h GLN 223 CO 0.01 0.46 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.17 1kkt h LYS 224 N 0.12 0.98 -0.53 1.46 3.64 -1.18 0.70 116.57 121.76 1kkt h LYS 224 Ca 0.01 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1kkt h LYS 224 Cb 0.66 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1kkt h LYS 224 CO 0.05 1.11 0.22 0.00 -2.27 0.00 0.00 179.45 178.56 1kkt h ALA 225 N 0.85 0.69 -0.10 5.00 0.00 -1.06 -2.80 119.26 121.85 1kkt h ALA 225 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1kkt h ALA 225 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1kkt h ALA 225 CO 0.07 0.30 -0.24 1.49 0.00 0.00 0.00 179.25 180.86 1kkt h GLU 226 N 0.72 0.18 -1.00 0.00 4.57 -0.72 -3.21 114.58 115.12 1kkt h GLU 226 Ca 0.18 -0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.48 1kkt h GLU 226 Cb 0.19 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.66 1kkt h GLU 226 CO -0.02 0.42 0.62 0.66 -1.18 0.00 0.00 179.01 179.51 1kkt h SER 227 N 0.16 0.78 0.25 1.04 4.64 -0.58 0.33 113.55 120.18 1kkt h SER 227 Ca 0.03 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1kkt h SER 227 Cb 0.52 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1kkt h SER 227 CO 0.04 0.30 -0.18 1.88 -0.87 0.00 0.00 176.83 178.00 1kkt h TYR 228 N 0.77 0.00 0.00 4.77 0.05 -1.67 -2.53 116.97 118.36 1kkt h TYR 228 Ca 0.56 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.16 1kkt h TYR 228 Cb 0.86 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.57 1kkt h TYR 228 CO -0.00 0.18 -0.83 -0.07 -1.05 0.00 0.00 178.16 176.39 1kkt h LEU 229 N 0.00 0.00 -0.37 3.88 3.38 -1.11 -3.26 115.31 117.82 1kkt h LEU 229 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1kkt h LEU 229 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1kkt h LEU 229 CO 0.02 0.83 -0.35 -0.07 0.09 0.00 0.00 178.44 178.96 1kkt h LEU 230 N 0.00 0.00 -6.45 1.67 3.38 -1.17 -3.35 115.31 109.38 1kkt h LEU 230 Ca -0.01 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1kkt h LEU 230 Cb 1.51 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.85 1kkt h LEU 230 CO 0.11 0.35 -0.78 0.29 0.09 0.00 0.00 178.44 178.50 1kkt n LYS 231 N -3.27 1.43 -1.79 1.13 5.02 -1.09 -5.06 118.16 114.52 1kkt n LYS 231 Ca 0.02 -3.99 -0.42 0.00 -2.02 0.00 0.00 58.31 51.90 1kkt n LYS 231 Cb 0.61 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1kkt n LYS 231 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kkt s PRO 232 N -1.35 4.14 -0.02 1.97 0.04 -1.23 -4.84 135.00 133.72 1kkt s PRO 232 Ca 0.33 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 63.90 1kkt s PRO 232 Cb 0.07 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.55 1kkt s PRO 232 CO -0.12 -0.67 0.05 -0.65 0.04 0.00 0.00 177.00 175.65 1kkt s GLN 233 N 0.45 0.04 0.88 4.56 -0.21 -1.26 -4.34 119.66 119.78 1kkt s GLN 233 Ca 0.69 0.10 -0.12 0.00 0.02 0.00 0.00 55.36 56.05 1kkt s GLN 233 Cb -0.48 -0.03 0.12 0.00 1.00 0.00 0.00 33.01 33.62 1kkt s GLN 233 CO 0.38 -0.04 1.09 -2.14 -2.12 0.00 0.00 175.29 172.47 1kkt s PRO 234 N 0.27 1.37 0.54 2.91 0.02 -1.26 -1.43 135.00 137.41 1kkt s PRO 234 Ca -0.02 0.75 0.27 0.00 0.02 0.00 0.00 61.00 62.02 1kkt s PRO 234 Cb -0.03 -1.83 1.52 0.00 0.02 0.00 0.00 34.50 34.18 1kkt s PRO 234 CO -0.01 -2.14 2.11 0.66 -0.33 0.00 0.00 177.00 177.29 1kkt h SER 235 N -1.47 0.00 0.76 2.53 4.64 -1.96 -0.52 113.55 117.53 1kkt h SER 235 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1kkt h SER 235 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1kkt h SER 235 CO 0.56 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 1kkt n SER 236 N -3.74 0.54 -0.05 4.97 3.41 -1.26 -1.88 113.62 115.61 1kkt n SER 236 Ca -0.02 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1kkt n SER 236 Cb 0.20 -0.74 0.66 0.00 -0.26 0.00 0.00 64.21 64.07 1kkt n SER 236 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kkt n SER 237 N -2.09 0.24 -3.82 4.04 7.64 -0.20 -4.12 113.62 115.31 1kkt n SER 237 Ca 0.03 -0.32 -0.28 0.00 1.01 0.00 0.00 58.87 59.31 1kkt n SER 237 Cb 0.24 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 1kkt n SER 237 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1kkt n GLU 238 N -1.15 1.92 -0.29 1.43 2.13 -0.79 -1.52 120.64 122.37 1kkt n GLU 238 Ca 0.14 -4.50 0.10 0.00 0.66 0.00 0.00 57.16 53.56 1kkt n GLU 238 Cb 0.27 -2.27 0.26 0.00 0.27 0.00 0.00 31.44 29.96 1kkt n GLU 238 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1kkt h PRO 239 N 5.19 0.37 -5.34 5.31 0.11 -1.71 -3.42 132.00 132.52 1kkt h PRO 239 Ca 0.16 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.85 1kkt h PRO 239 Cb 0.74 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 31.58 1kkt h PRO 239 CO 0.73 0.25 -0.76 -0.06 -0.21 0.00 0.00 178.00 177.95 1kkt s PHE 240 N -5.94 1.32 -0.05 0.65 0.40 -1.26 -5.07 117.98 108.03 1kkt s PHE 240 Ca -0.12 -0.56 -0.36 0.00 -0.60 0.00 0.00 56.93 55.29 1kkt s PHE 240 Cb 0.24 -0.70 -0.14 0.00 0.51 0.00 0.00 43.02 42.92 1kkt s PHE 240 CO 0.77 0.11 1.68 -2.30 0.70 0.00 0.00 175.22 176.18 1kkt n PRO 241 N 0.63 1.71 0.00 0.24 -0.02 -1.26 -1.51 135.00 134.79 1kkt n PRO 241 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1kkt n PRO 241 Cb 0.57 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1kkt n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kkt n GLY 242 N 3.79 2.95 3.62 -1.23 0.00 -1.26 -3.85 105.19 109.21 1kkt n GLY 242 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1kkt n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkt s LEU 243 N 0.00 4.06 0.45 0.99 1.02 -0.57 -4.42 118.68 120.22 1kkt s LEU 243 Ca 0.00 0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.43 1kkt s LEU 243 Cb 0.00 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 1kkt s LEU 243 CO 0.00 -0.10 0.10 0.68 0.02 0.00 0.00 176.35 177.04 1kkt s VAL 244 N 1.75 1.81 1.18 -1.59 -7.23 -1.26 -3.51 120.40 111.55 1kkt s VAL 244 Ca 0.13 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1kkt s VAL 244 Cb -0.15 -2.67 0.28 0.00 0.56 0.00 0.00 36.38 34.40 1kkt s VAL 244 CO 0.09 0.00 1.07 -0.83 -0.31 0.00 0.00 175.10 175.12 1kkt s GLY 245 N -3.88 1.54 0.00 2.32 0.00 -0.58 -4.32 107.32 102.41 1kkt s GLY 245 Ca 0.28 -0.68 0.24 0.00 0.00 0.00 0.00 44.72 44.56 1kkt s GLY 245 CO 0.15 0.14 1.23 1.44 0.00 0.00 0.00 173.10 176.06 1kkt n SER 246 N -4.78 1.29 -3.85 1.64 7.64 -1.09 -4.80 113.62 109.67 1kkt n SER 246 Ca 0.09 -1.03 -0.11 0.00 1.01 0.00 0.00 58.87 58.83 1kkt n SER 246 Cb 0.58 0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 64.16 1kkt n SER 246 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kkt s SER 247 N -2.69 0.02 -0.04 6.43 1.04 -1.26 -1.68 113.70 115.52 1kkt s SER 247 Ca 0.16 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1kkt s SER 247 Cb 0.18 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1kkt s SER 247 CO 0.65 -0.45 -0.18 -0.63 0.98 0.00 0.00 173.24 173.61 1kkt s ILE 248 N -1.84 1.47 0.03 -1.02 -1.09 0.84 -1.25 121.20 118.34 1kkt s ILE 248 Ca -0.11 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 1kkt s ILE 248 Cb -0.05 -1.25 -0.06 0.00 -1.58 0.00 0.00 42.46 39.52 1kkt s ILE 248 CO -0.00 0.42 1.37 0.20 -1.23 0.00 0.00 174.94 175.70 1kkt s ASN 249 N -0.05 6.87 0.35 3.58 0.02 0.91 -0.00 114.94 126.63 1kkt s ASN 249 Ca -0.02 2.14 0.13 0.00 -1.02 0.00 0.00 52.86 54.10 1kkt s ASN 249 Cb -0.11 -2.57 0.64 0.00 0.02 0.00 0.00 41.25 39.23 1kkt s ASN 249 CO 0.02 -0.68 1.76 0.40 0.02 0.00 0.00 177.10 178.62 1kkt h ILE 250 N 4.73 1.25 -0.25 0.60 2.04 -1.51 0.15 117.51 124.52 1kkt h ILE 250 Ca -0.39 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 63.84 1kkt h ILE 250 Cb 1.19 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1kkt h ILE 250 CO 0.88 0.43 -0.25 0.78 0.00 0.00 0.00 178.15 179.99 1kkt h ASN 251 N 0.00 0.65 0.00 1.72 4.21 -1.91 -3.15 115.58 117.10 1kkt h ASN 251 Ca -0.00 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1kkt h ASN 251 Cb 0.80 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1kkt h ASN 251 CO 0.06 0.99 0.00 -0.90 -1.29 0.00 0.00 177.43 176.29 1kkt n ASP 252 N -4.34 0.31 -0.42 5.81 3.85 -1.23 -3.61 116.55 116.91 1kkt n ASP 252 Ca -0.04 -0.65 -0.05 0.00 -0.71 0.00 0.00 54.79 53.33 1kkt n ASP 252 Cb 0.44 0.66 -0.02 0.00 -1.35 0.00 0.00 41.12 40.85 1kkt n ASP 252 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kkt n GLY 253 N 0.66 0.80 3.93 6.12 0.00 0.54 -4.92 105.19 112.33 1kkt n GLY 253 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1kkt n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kkt s GLN 254 N -2.40 3.48 0.34 1.61 -0.21 -1.25 -4.79 119.66 116.43 1kkt s GLN 254 Ca 0.00 -0.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.65 1kkt s GLN 254 Cb 0.00 -2.90 -0.09 0.00 1.00 0.00 0.00 33.01 31.01 1kkt s GLN 254 CO 0.00 0.46 1.08 -0.06 -2.12 0.00 0.00 175.29 174.65 1kkt s PHE 255 N -1.80 3.42 -1.50 0.91 0.40 -0.52 -0.06 117.98 118.84 1kkt s PHE 255 Ca 0.37 1.67 0.22 0.00 -0.60 0.00 0.00 56.93 58.59 1kkt s PHE 255 Cb -0.11 -3.22 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 1kkt s PHE 255 CO 0.29 -0.61 1.06 0.00 0.70 0.00 0.00 175.22 176.66 1kkt n ALA 256 N 0.58 4.05 -3.19 5.36 0.00 -0.38 -4.63 120.51 122.29 1kkt n ALA 256 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1kkt n ALA 256 Cb 0.47 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1kkt n ALA 256 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1kkt s ASP 257 N -2.74 0.23 -0.14 0.00 -4.77 -1.26 -5.01 116.67 102.98 1kkt s ASP 257 Ca 0.14 -1.12 0.15 0.00 -3.30 0.00 0.00 52.55 48.42 1kkt s ASP 257 Cb 0.17 0.65 0.31 0.00 -1.09 0.00 0.00 42.92 42.96 1kkt s ASP 257 CO 0.71 -1.27 1.16 -1.54 0.70 0.00 0.00 175.17 174.92 1kkt n SER 258 N -0.84 1.89 -4.64 2.11 3.41 -1.26 -4.17 113.62 110.11 1kkt n SER 258 Ca -0.02 -3.19 -0.43 0.00 -0.26 0.00 0.00 58.87 54.97 1kkt n SER 258 Cb 0.61 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1kkt n SER 258 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kkt s ARG 259 N -2.60 4.06 -0.14 4.33 0.52 -1.26 -4.63 118.95 119.24 1kkt s ARG 259 Ca 0.31 1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 56.81 1kkt s ARG 259 Cb 0.29 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1kkt s ARG 259 CO -0.01 -0.92 0.13 0.08 0.02 0.00 0.00 175.30 174.59 1kkt s VAL 260 N 3.90 5.39 -0.11 3.52 1.01 0.20 -2.67 120.40 131.65 1kkt s VAL 260 Ca 0.53 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 62.36 1kkt s VAL 260 Cb -0.17 -3.37 0.12 0.00 0.00 0.00 0.00 36.38 32.95 1kkt s VAL 260 CO 0.18 0.57 1.06 -0.55 0.00 0.00 0.00 175.10 176.36 1kkt s SER 261 N -0.65 -0.25 0.00 3.32 0.15 -1.26 -1.22 113.70 113.79 1kkt s SER 261 Ca 0.13 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.89 1kkt s SER 261 Cb -0.12 0.26 0.18 0.00 -1.71 0.00 0.00 66.02 64.63 1kkt s SER 261 CO 0.02 -0.41 1.04 0.79 1.20 0.00 0.00 173.24 175.88 1kkt n TRP 262 N -0.13 0.23 -1.27 3.44 7.02 -1.26 -4.45 117.44 121.03 1kkt n TRP 262 Ca -0.04 -0.28 -0.30 0.00 -1.02 0.00 0.00 57.50 55.86 1kkt n TRP 262 Cb 0.60 -0.02 0.24 0.00 -2.42 0.00 0.00 31.31 29.71 1kkt n TRP 262 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1kkt s ASN 263 N -0.92 1.05 0.25 -0.99 0.01 -1.26 -3.22 114.94 109.87 1kkt s ASN 263 Ca 0.16 0.42 -0.31 0.00 -0.71 0.00 0.00 52.86 52.42 1kkt s ASN 263 Cb 0.10 -0.51 -0.13 0.00 0.41 0.00 0.00 41.25 41.11 1kkt s ASN 263 CO 0.13 -4.02 1.44 0.61 -1.51 0.00 0.00 177.10 173.75 1kkt n GLY 264 N -1.61 0.88 0.00 0.66 0.00 -1.26 -0.40 105.19 103.47 1kkt n GLY 264 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1kkt n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkt n GLY 265 N 2.13 3.23 1.23 -0.02 0.00 -1.26 -4.78 105.19 105.71 1kkt n GLY 265 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1kkt n GLY 265 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkt n ASP 266 N 0.00 0.34 0.00 1.61 9.92 -0.25 -1.54 116.55 126.62 1kkt n ASP 266 Ca 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1kkt n ASP 266 Cb 0.00 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1kkt n ASP 266 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1kkt n ASP 267 N -3.14 0.00 -0.47 -2.24 3.85 0.47 -1.12 116.55 113.90 1kkt n ASP 267 Ca 0.00 0.00 0.39 0.00 -0.71 0.00 0.00 54.79 54.47 1kkt n ASP 267 Cb 0.24 0.00 0.67 0.00 -1.35 0.00 0.00 41.12 40.68 1kkt n ASP 267 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1kkt h SER 268 N 0.00 0.21 0.01 -1.12 0.02 -1.87 -1.95 113.55 108.83 1kkt h SER 268 Ca 0.00 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1kkt h SER 268 Cb 0.00 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1kkt h SER 268 CO 0.00 -0.16 -0.16 0.15 -1.14 0.00 0.00 176.83 175.52 1kkt h PHE 269 N 0.07 -0.42 -0.32 3.45 3.57 -1.35 -2.20 116.94 119.75 1kkt h PHE 269 Ca 0.83 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 62.26 1kkt h PHE 269 Cb 2.72 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 41.63 1kkt h PHE 269 CO -0.00 -0.24 -0.17 1.88 -2.23 0.00 0.00 178.31 177.55 1kkt h TYR 270 N -0.27 0.63 -0.51 0.41 -1.99 -1.52 -2.93 116.97 110.78 1kkt h TYR 270 Ca 0.05 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.70 1kkt h TYR 270 Cb 0.33 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 1kkt h TYR 270 CO -0.21 0.71 0.27 1.49 -0.00 0.00 0.00 178.16 180.43 1kkt h GLU 271 N 0.52 0.52 0.00 4.88 4.81 -1.40 -2.59 114.58 121.32 1kkt h GLU 271 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1kkt h GLU 271 Cb 0.59 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1kkt h GLU 271 CO 0.04 0.34 0.00 1.88 -0.73 0.00 0.00 179.01 180.54 1kkt h TYR 272 N 0.54 0.00 0.44 0.92 -1.99 -1.26 -2.98 116.97 112.64 1kkt h TYR 272 Ca 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1kkt h TYR 272 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1kkt h TYR 272 CO -0.09 0.00 -0.32 -0.07 -0.00 0.00 0.00 178.16 177.68 1kkt h LEU 273 N 0.00 -0.81 -0.36 3.88 4.07 -1.29 -0.80 115.31 120.00 1kkt h LEU 273 Ca 0.00 0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.83 1kkt h LEU 273 Cb 0.69 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.69 1kkt h LEU 273 CO 0.00 -0.48 -0.72 -0.29 -1.08 0.00 0.00 178.44 175.87 1kkt h ILE 274 N -0.74 1.35 -0.39 1.22 6.09 -1.65 -3.19 117.51 120.20 1kkt h ILE 274 Ca -0.04 -2.06 -0.03 0.00 -1.37 0.00 0.00 64.86 61.36 1kkt h ILE 274 Cb 0.63 2.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.93 1kkt h ILE 274 CO 0.02 0.63 0.12 0.11 -3.07 0.00 0.00 178.15 175.96 1kkt h LYS 275 N 0.36 0.56 -0.40 2.19 1.57 -1.44 -1.72 116.57 117.69 1kkt h LYS 275 Ca -0.03 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1kkt h LYS 275 Cb 1.30 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1kkt h LYS 275 CO 0.13 0.50 -0.03 0.52 -0.57 0.00 0.00 179.45 180.00 1kkt h MET 276 N 0.56 0.66 -0.55 3.15 2.86 -1.13 -0.88 114.93 119.60 1kkt h MET 276 Ca 0.13 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1kkt h MET 276 Cb 0.17 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1kkt h MET 276 CO -0.01 0.70 0.08 -0.92 1.06 0.00 0.00 176.91 177.82 1kkt h TYR 277 N 0.62 0.92 -0.17 -0.22 3.20 -1.35 -1.82 116.97 118.15 1kkt h TYR 277 Ca 0.12 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 1kkt h TYR 277 Cb 0.43 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1kkt h TYR 277 CO 0.02 0.80 -0.46 0.28 -1.64 0.00 0.00 178.16 177.17 1kkt h VAL 278 N 0.83 1.32 -0.39 1.81 2.07 -0.87 -0.94 116.25 120.08 1kkt h VAL 278 Ca 0.17 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1kkt h VAL 278 Cb 0.39 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1kkt h VAL 278 CO 0.01 0.51 0.18 0.22 0.02 0.00 0.00 177.57 178.50 1kkt h TYR 279 N 0.35 0.57 -1.18 1.57 3.20 -0.58 -3.42 116.97 117.49 1kkt h TYR 279 Ca 0.02 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1kkt h TYR 279 Cb 0.94 -0.18 -0.22 0.00 1.54 0.00 0.00 36.73 38.82 1kkt h TYR 279 CO 0.03 0.49 -0.47 0.34 -1.64 0.00 0.00 178.16 176.91 1kkt s ASP 280 N -5.79 -1.04 0.56 -2.11 -1.08 -0.74 -1.27 116.67 105.21 1kkt s ASP 280 Ca -0.13 -0.63 0.28 0.00 -0.52 0.00 0.00 52.55 51.55 1kkt s ASP 280 Cb 0.10 1.73 1.67 0.00 -1.46 0.00 0.00 42.92 44.96 1kkt s ASP 280 CO 0.74 -0.23 2.19 1.55 0.52 0.00 0.00 175.17 179.95 1kkt h PRO 281 N 7.33 0.00 -0.01 4.34 0.13 -1.41 -1.14 132.00 141.25 1kkt h PRO 281 Ca 0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.94 1kkt h PRO 281 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1kkt h PRO 281 CO 0.14 0.04 -0.91 -0.22 -0.23 0.00 0.00 178.00 176.82 1kkt h LYS 282 N 0.00 0.40 0.04 0.86 3.64 -1.96 -3.19 116.57 116.37 1kkt h LYS 282 Ca -0.00 -0.41 -0.31 0.00 -1.27 0.00 0.00 60.65 58.65 1kkt h LYS 282 Cb 0.11 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1kkt h LYS 282 CO 0.01 1.08 -1.78 0.00 -2.27 0.00 0.00 179.45 176.48 1kkt h ARG 283 N 0.23 0.09 -1.13 1.90 3.08 -1.88 -3.40 114.38 113.27 1kkt h ARG 283 Ca -0.07 -0.16 -0.60 0.00 0.07 0.00 0.00 59.98 59.22 1kkt h ARG 283 Cb 1.54 0.06 -0.39 0.00 0.08 0.00 0.00 29.97 31.26 1kkt h ARG 283 CO 0.16 0.75 -0.37 1.19 -1.07 0.00 0.00 179.97 180.63 1kkt n PHE 284 N -3.20 3.04 -0.07 3.04 3.01 -0.46 -4.71 117.46 118.11 1kkt n PHE 284 Ca -0.21 -2.62 -0.01 0.00 1.01 0.00 0.00 57.45 55.62 1kkt n PHE 284 Cb 1.05 -0.50 0.24 0.00 -0.01 0.00 0.00 39.48 40.26 1kkt n PHE 284 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1kkt h GLU 285 N 2.35 0.69 -0.39 -1.08 4.81 -1.78 -2.44 114.58 116.75 1kkt h GLU 285 Ca 0.40 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1kkt h GLU 285 Cb 1.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1kkt h GLU 285 CO 0.97 0.65 0.21 1.15 -0.73 0.00 0.00 179.01 181.26 1kkt h THR 286 N 0.67 1.13 -0.35 0.32 2.02 -1.91 -2.02 112.91 112.76 1kkt h THR 286 Ca 0.15 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1kkt h THR 286 Cb 0.30 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1kkt h THR 286 CO 0.00 0.14 0.15 1.88 0.37 0.00 0.00 175.52 178.06 1kkt h TYR 287 N 0.54 0.53 -0.08 3.16 -1.99 -1.73 -2.28 116.97 115.11 1kkt h TYR 287 Ca 0.14 -0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1kkt h TYR 287 Cb 0.03 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1kkt h TYR 287 CO 0.00 0.48 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.35 1kkt h LYS 288 N 0.43 -0.09 -0.84 4.88 3.64 -1.36 -0.76 116.57 122.47 1kkt h LYS 288 Ca 0.12 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1kkt h LYS 288 Cb 0.16 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 1kkt h LYS 288 CO -0.01 -0.06 0.47 -0.44 -2.27 0.00 0.00 179.45 177.13 1kkt h ASP 289 N -0.09 0.63 -0.36 4.20 3.45 -1.29 0.49 116.42 123.45 1kkt h ASP 289 Ca 0.06 0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.50 1kkt h ASP 289 Cb 0.18 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1kkt h ASP 289 CO -0.14 0.33 -0.05 0.03 -1.57 0.00 0.00 179.24 177.84 1kkt h ARG 290 N 0.73 0.77 -0.24 3.56 2.47 -0.82 -2.62 114.38 118.23 1kkt h ARG 290 Ca 0.43 -0.23 -0.15 0.00 -1.26 0.00 0.00 59.98 58.77 1kkt h ARG 290 Cb 0.48 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1kkt h ARG 290 CO -0.29 0.81 -0.47 2.35 0.56 0.00 0.00 179.97 182.93 1kkt h TRP 291 N 0.71 0.77 -0.38 3.04 7.01 0.34 -2.53 115.95 124.91 1kkt h TRP 291 Ca 0.13 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.88 1kkt h TRP 291 Cb 0.51 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 1kkt h TRP 291 CO 0.03 0.98 0.24 0.28 -2.79 0.00 0.00 178.44 177.18 1kkt h VAL 292 N 0.50 1.11 -0.01 2.65 2.07 -0.76 0.47 116.25 122.27 1kkt h VAL 292 Ca 0.03 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1kkt h VAL 292 Cb 1.01 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1kkt h VAL 292 CO 0.09 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 1kkt h LEU 293 N 0.51 -0.14 -0.56 2.57 4.07 -1.43 0.07 115.31 120.39 1kkt h LEU 293 Ca 0.14 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.17 1kkt h LEU 293 Cb -0.04 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1kkt h LEU 293 CO -0.03 -0.07 0.29 0.00 -1.08 0.00 0.00 178.44 177.55 1kkt h ALA 294 N 0.92 0.72 0.03 1.53 0.00 -1.06 -0.09 119.26 121.31 1kkt h ALA 294 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kkt h ALA 294 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kkt h ALA 294 CO -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.13 1kkt h ALA 295 N 1.30 -0.04 -0.56 0.00 0.00 0.41 -0.63 119.26 119.74 1kkt h ALA 295 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1kkt h ALA 295 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1kkt h ALA 295 CO -0.17 -0.51 0.12 0.93 0.00 0.00 0.00 179.25 179.62 1kkt h GLU 296 N -0.05 0.91 -0.06 0.00 5.08 -0.75 -1.64 114.58 118.08 1kkt h GLU 296 Ca -0.00 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1kkt h GLU 296 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1kkt h GLU 296 CO 0.01 0.86 -0.35 0.77 -1.00 0.00 0.00 179.01 179.29 1kkt h SER 297 N 0.81 0.11 -0.29 1.42 0.02 -0.91 -1.31 113.55 113.39 1kkt h SER 297 Ca 0.17 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1kkt h SER 297 Cb 0.37 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1kkt h SER 297 CO 0.01 0.46 -0.16 0.74 -1.14 0.00 0.00 176.83 176.74 1kkt h THR 298 N 0.10 1.30 -0.74 -2.27 2.02 -0.87 0.11 112.91 112.55 1kkt h THR 298 Ca 0.01 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 1kkt h THR 298 Cb 0.68 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1kkt h THR 298 CO 0.05 0.41 0.25 0.40 0.37 0.00 0.00 175.52 176.99 1kkt h ILE 299 N 0.37 1.26 0.06 3.11 2.04 -0.98 -0.41 117.51 122.96 1kkt h ILE 299 Ca 0.06 -0.88 -0.24 0.00 1.00 0.00 0.00 64.86 64.80 1kkt h ILE 299 Cb 0.69 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1kkt h ILE 299 CO 0.05 0.35 -1.12 0.50 0.00 0.00 0.00 178.15 177.93 1kkt h LYS 300 N 1.10 0.13 0.00 2.37 1.63 -1.15 -3.38 116.57 117.28 1kkt h LYS 300 Ca 0.24 -0.23 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 1kkt h LYS 300 Cb 0.29 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1kkt h LYS 300 CO -0.01 1.11 -1.34 0.72 -3.45 0.00 0.00 179.45 176.47 1kkt n HIS 301 N -3.44 0.00 0.27 1.91 8.25 0.36 -4.76 115.22 117.80 1kkt n HIS 301 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.53 1kkt n HIS 301 Cb 0.98 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.85 1kkt n HIS 301 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1kkt n LEU 302 N -2.27 0.67 -4.63 2.41 4.77 -0.21 -4.91 117.00 112.83 1kkt n LEU 302 Ca -0.09 0.19 -0.47 0.00 -0.03 0.00 0.00 56.01 55.62 1kkt n LEU 302 Cb 0.65 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1kkt n LEU 302 CO 0.10 -0.09 0.87 1.17 -1.33 0.00 0.00 177.39 178.10 1kkt n LYS 303 N -2.38 1.61 -3.77 3.23 4.81 -0.92 -1.40 118.16 119.34 1kkt n LYS 303 Ca 0.00 0.57 -0.13 0.00 -0.87 0.00 0.00 58.31 57.89 1kkt n LYS 303 Cb 0.51 -2.15 -0.10 0.00 0.02 0.00 0.00 35.03 33.31 1kkt n LYS 303 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1kkt s SER 304 N 0.13 -0.27 -0.05 3.14 0.15 -0.34 -4.84 113.70 111.63 1kkt s SER 304 Ca 0.70 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.85 1kkt s SER 304 Cb -0.75 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1kkt s SER 304 CO 0.51 -0.20 -0.22 -1.00 1.20 0.00 0.00 173.24 173.53 1kkt s HIS 305 N -0.27 2.16 0.43 3.44 3.76 -1.26 -1.11 115.29 122.44 1kkt s HIS 305 Ca -0.04 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 53.98 1kkt s HIS 305 Cb -0.03 -1.43 -0.08 0.00 1.11 0.00 0.00 32.58 32.15 1kkt s HIS 305 CO 0.01 -0.20 1.24 -2.14 -0.85 0.00 0.00 174.74 172.80 1kkt s PRO 306 N -0.07 3.85 0.17 8.40 0.02 -1.25 -4.90 135.00 141.23 1kkt s PRO 306 Ca -0.04 2.00 -0.14 0.00 0.02 0.00 0.00 61.00 62.84 1kkt s PRO 306 Cb -0.13 -2.61 0.10 0.00 0.02 0.00 0.00 34.50 31.88 1kkt s PRO 306 CO 0.03 -0.54 1.80 0.87 -0.33 0.00 0.00 177.00 178.84 1kkt h LYS 307 N 2.40 0.54 0.00 5.54 1.79 -1.90 -2.41 116.57 122.52 1kkt h LYS 307 Ca -0.49 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1kkt h LYS 307 Cb 1.25 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1kkt h LYS 307 CO 0.61 0.36 0.00 -1.13 -1.08 0.00 0.00 179.45 178.21 1kkt n SER 308 N -4.83 0.65 -3.21 0.86 3.41 -1.26 -4.21 113.62 105.03 1kkt n SER 308 Ca 0.03 0.59 -0.23 0.00 -0.26 0.00 0.00 58.87 59.00 1kkt n SER 308 Cb 0.09 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 1kkt n SER 308 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kkt n ARG 309 N -2.14 0.54 0.33 4.33 5.12 -0.95 -4.89 116.66 119.00 1kkt n ARG 309 Ca 0.05 -3.06 0.16 0.00 -1.93 0.00 0.00 57.85 53.07 1kkt n ARG 309 Cb 0.36 -1.39 0.85 0.00 -1.16 0.00 0.00 32.46 31.12 1kkt n ARG 309 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1kkt h PRO 310 N 4.56 0.00 0.00 5.56 0.11 -1.63 -0.65 132.00 139.94 1kkt h PRO 310 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1kkt h PRO 310 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1kkt h PRO 310 CO 0.40 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.79 1kkt n ASP 311 N -2.95 0.00 -4.85 -2.05 5.75 -1.26 -4.81 116.55 106.38 1kkt n ASP 311 Ca -0.02 0.46 -0.33 0.00 -0.01 0.00 0.00 54.79 54.89 1kkt n ASP 311 Cb 0.36 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 1kkt n ASP 311 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1kkt s LEU 312 N -2.97 4.15 -0.10 -2.12 1.43 -0.25 -5.01 118.68 113.81 1kkt s LEU 312 Ca 0.14 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1kkt s LEU 312 Cb 0.18 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1kkt s LEU 312 CO 0.50 0.24 -0.15 -0.89 0.23 0.00 0.00 176.35 176.28 1kkt s THR 313 N -1.31 1.43 0.31 5.49 2.01 -1.26 -3.91 115.64 118.39 1kkt s THR 313 Ca 0.27 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1kkt s THR 313 Cb -0.12 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 1kkt s THR 313 CO 0.19 0.43 0.07 -0.36 -0.69 0.00 0.00 174.62 174.25 1kkt s PHE 314 N 0.86 1.88 -0.07 4.92 2.99 -0.27 -4.33 117.98 123.96 1kkt s PHE 314 Ca -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 56.93 55.81 1kkt s PHE 314 Cb -0.15 -1.20 -0.03 0.00 0.00 0.00 0.00 43.02 41.63 1kkt s PHE 314 CO 0.01 -0.06 0.01 -0.51 -0.00 0.00 0.00 175.22 174.67 1kkt s LEU 315 N -3.45 3.64 0.47 -0.37 1.43 -1.26 -1.19 118.68 117.94 1kkt s LEU 315 Ca 0.37 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1kkt s LEU 315 Cb 0.09 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1kkt s LEU 315 CO 0.15 0.36 0.50 -0.94 0.23 0.00 0.00 176.35 176.65 1kkt s SER 316 N -1.06 5.11 0.10 2.29 1.04 -0.49 -4.66 113.70 116.02 1kkt s SER 316 Ca 0.15 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1kkt s SER 316 Cb -0.11 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1kkt s SER 316 CO 0.04 -0.89 0.00 -0.44 0.98 0.00 0.00 173.24 172.94 1kkt s SER 317 N -4.31 5.03 -0.04 7.02 0.01 -0.83 -4.75 113.70 115.84 1kkt s SER 317 Ca 0.50 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1kkt s SER 317 Cb -0.05 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.99 1kkt s SER 317 CO 0.30 0.17 -0.12 -0.47 0.41 0.00 0.00 173.24 173.52 1kkt s TYR 318 N -1.35 1.32 0.00 2.43 5.04 -0.35 -0.37 117.35 124.06 1kkt s TYR 318 Ca 0.26 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1kkt s TYR 318 Cb -0.11 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.27 1kkt s TYR 318 CO 0.19 -0.16 0.00 0.45 -1.34 0.00 0.00 175.55 174.69 1kkt n SER 319 N 3.35 0.00 -3.32 4.32 2.88 -0.94 0.60 113.62 120.50 1kkt n SER 319 Ca -0.19 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.08 1kkt n SER 319 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1kkt n SER 319 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1kkt n ASN 320 N -0.23 3.87 0.00 -3.46 3.02 -1.26 -4.66 115.26 112.54 1kkt n ASN 320 Ca 0.00 -3.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1kkt n ASN 320 Cb 0.00 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1kkt n ASN 320 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1kkt n ARG 321 N 0.62 0.00 -3.53 3.52 1.74 -1.26 -5.00 116.66 112.75 1kkt n ARG 321 Ca 0.30 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.02 1kkt n ARG 321 Cb 0.41 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 1kkt n ARG 321 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1kkt s ASN 322 N -3.30 6.74 -0.09 0.55 2.47 -1.26 -5.09 114.94 114.95 1kkt s ASN 322 Ca 0.00 0.89 -0.01 0.00 0.42 0.00 0.00 52.86 54.17 1kkt s ASN 322 Cb 0.00 -2.22 -0.03 0.00 -1.45 0.00 0.00 41.25 37.55 1kkt s ASN 322 CO 0.00 0.25 -0.05 -0.31 -3.72 0.00 0.00 177.10 173.27 1kkt s TYR 323 N -1.24 2.99 -0.35 0.43 1.51 -1.26 -2.22 117.35 117.20 1kkt s TYR 323 Ca 0.28 -0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.22 1kkt s TYR 323 Cb -0.15 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1kkt s TYR 323 CO 0.16 0.27 0.18 0.34 -1.11 0.00 0.00 175.55 175.38 1kkt s ASP 324 N -0.56 5.61 -1.39 2.29 3.68 0.50 -4.96 116.67 121.84 1kkt s ASP 324 Ca 0.09 -0.93 -0.09 0.00 2.13 0.00 0.00 52.55 53.75 1kkt s ASP 324 Cb -0.12 -1.99 0.08 0.00 -1.45 0.00 0.00 42.92 39.45 1kkt s ASP 324 CO 0.02 -0.34 2.32 0.18 0.13 0.00 0.00 175.17 177.48 1kkt n LEU 325 N 4.96 7.61 -3.75 -1.34 4.32 -1.26 -1.96 117.00 125.58 1kkt n LEU 325 Ca -0.12 -4.62 -0.10 0.00 -0.02 0.00 0.00 56.01 51.15 1kkt n LEU 325 Cb 0.46 -1.47 -0.06 0.00 -1.62 0.00 0.00 43.42 40.73 1kkt n LEU 325 CO 0.35 1.73 0.04 -0.94 -1.22 0.00 0.00 177.39 177.36 1kkt s SER 326 N 1.23 -0.07 0.32 -1.43 1.04 -1.26 -1.61 113.70 111.93 1kkt s SER 326 Ca 0.52 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1kkt s SER 326 Cb 0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1kkt s SER 326 CO -0.06 -0.81 0.41 -0.24 0.98 0.00 0.00 173.24 173.52 1kkt n SER 327 N -0.16 -1.12 -4.15 7.02 2.88 0.19 -4.60 113.62 113.69 1kkt n SER 327 Ca -0.15 -2.78 -0.10 0.00 -1.33 0.00 0.00 58.87 54.51 1kkt n SER 327 Cb 0.63 2.15 -0.10 0.00 -0.75 0.00 0.00 64.21 66.14 1kkt n SER 327 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kkt s GLN 328 N -2.83 0.77 0.29 -1.46 -0.21 -1.26 -1.73 119.66 113.22 1kkt s GLN 328 Ca 0.29 -1.28 -0.00 0.00 0.02 0.00 0.00 55.36 54.38 1kkt s GLN 328 Cb -0.00 -0.11 0.49 0.00 1.00 0.00 0.00 33.01 34.39 1kkt s GLN 328 CO 0.20 -0.04 1.90 1.25 -2.12 0.00 0.00 175.29 176.48 1kkt h HIS 329 N 3.08 1.10 -0.90 0.91 -0.00 -1.42 -1.25 115.15 116.67 1kkt h HIS 329 Ca -0.35 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.19 1kkt h HIS 329 Cb 1.16 -0.36 -0.09 0.00 -0.00 0.00 0.00 27.41 28.12 1kkt h HIS 329 CO 0.58 0.57 0.51 -0.07 -0.00 0.00 0.00 177.93 179.51 1kkt h LEU 330 N 1.08 0.67 -2.33 0.26 3.38 -1.94 -1.03 115.31 115.39 1kkt h LEU 330 Ca 0.41 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1kkt h LEU 330 Cb 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kkt h LEU 330 CO -0.16 0.31 -0.03 0.74 0.09 0.00 0.00 178.44 179.38 1kkt h THR 331 N 0.74 0.22 0.00 0.22 2.02 -1.46 -3.05 112.91 111.60 1kkt h THR 331 Ca 0.48 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1kkt h THR 331 Cb 0.62 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1kkt h THR 331 CO -0.33 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.59 1kkt h PHE 333 N 0.00 0.00 -0.77 0.00 -5.15 -1.70 -3.27 116.94 106.05 1kkt h PHE 333 Ca 0.00 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.88 1kkt h PHE 333 Cb 0.03 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.12 1kkt h PHE 333 CO 0.00 0.00 0.38 0.38 -2.00 0.00 0.00 178.31 177.07 1kkt h ASP 334 N 0.00 0.48 -0.57 -0.68 -0.00 -1.17 -1.84 116.42 112.64 1kkt h ASP 334 Ca 0.00 0.07 0.06 0.00 -0.00 0.00 0.00 57.03 57.16 1kkt h ASP 334 Cb 0.51 -0.01 -0.05 0.00 -0.00 0.00 0.00 39.33 39.78 1kkt h ASP 334 CO 0.00 0.25 0.28 1.23 -0.00 0.00 0.00 179.24 181.00 1kkt h GLY 335 N 0.61 0.81 1.41 7.15 0.00 -1.81 -1.60 103.07 109.65 1kkt h GLY 335 Ca 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1kkt h GLY 335 CO -0.31 0.10 0.20 -1.33 0.00 0.00 0.00 176.54 175.20 1kkt h GLY 336 N 0.53 0.81 0.81 4.60 0.00 -1.57 -1.33 103.07 106.92 1kkt h GLY 336 Ca 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1kkt h GLY 336 CO -0.19 0.39 0.01 0.23 0.00 0.00 0.00 176.54 176.98 1kkt h SER 337 N 0.75 0.07 -0.41 0.19 0.87 -0.83 -1.15 113.55 113.03 1kkt h SER 337 Ca 0.18 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1kkt h SER 337 Cb 0.17 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1kkt h SER 337 CO -0.02 0.26 0.17 -0.26 -0.53 0.00 0.00 176.83 176.45 1kkt h PHE 338 N -0.13 0.67 -0.37 2.24 -1.00 -1.08 -1.71 116.94 115.57 1kkt h PHE 338 Ca 0.01 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1kkt h PHE 338 Cb 0.22 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1kkt h PHE 338 CO -0.00 0.54 -0.27 -0.07 -1.61 0.00 0.00 178.31 176.90 1kkt h LEU 339 N 0.67 0.87 0.12 1.54 3.38 -1.08 0.95 115.31 121.75 1kkt h LEU 339 Ca 0.16 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1kkt h LEU 339 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1kkt h LEU 339 CO -0.01 1.12 -0.06 0.25 0.09 0.00 0.00 178.44 179.83 1kkt h LEU 340 N 0.62 -0.13 -1.13 1.67 6.46 -0.93 -1.13 115.31 120.75 1kkt h LEU 340 Ca 0.07 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1kkt h LEU 340 Cb 0.84 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1kkt h LEU 340 CO 0.07 0.16 0.06 1.23 -0.62 0.00 0.00 178.44 179.34 1kkt h GLY 341 N -0.43 0.73 0.96 3.75 0.00 -1.36 -1.08 103.07 105.65 1kkt h GLY 341 Ca -0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1kkt h GLY 341 CO 0.03 0.40 0.08 -1.33 0.00 0.00 0.00 176.54 175.71 1kkt h GLY 342 N 0.90 0.20 1.67 4.60 0.00 -0.61 -0.36 103.07 109.47 1kkt h GLY 342 Ca 0.14 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 1kkt h GLY 342 CO 0.00 0.08 -0.75 0.00 0.00 0.00 0.00 176.54 175.87 1kkt h THR 343 N 0.14 1.41 -0.33 4.70 1.03 -1.03 0.19 112.91 119.03 1kkt h THR 343 Ca 0.05 -2.24 -0.15 0.00 -0.01 0.00 0.00 66.41 64.06 1kkt h THR 343 Cb 0.04 2.19 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 1kkt h THR 343 CO -0.01 0.67 -0.38 0.58 -0.01 0.00 0.00 175.52 176.36 1kkt h VAL 344 N 0.21 1.28 -0.02 0.00 2.07 -1.11 -2.98 116.25 115.71 1kkt h VAL 344 Ca -0.03 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1kkt h VAL 344 Cb 1.33 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1kkt h VAL 344 CO 0.12 0.51 -0.32 0.18 0.02 0.00 0.00 177.57 178.08 1kkt n LEU 345 N -4.05 1.82 -3.43 2.57 4.77 -0.15 -4.68 117.00 113.85 1kkt n LEU 345 Ca -0.02 -0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 55.16 1kkt n LEU 345 Cb 0.53 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1kkt n LEU 345 CO 0.47 0.33 0.14 -0.67 -1.33 0.00 0.00 177.39 176.33 1kkt n ASP 346 N -0.02 -3.08 -4.16 -1.43 -0.08 0.43 -4.97 116.55 103.24 1kkt n ASP 346 Ca 0.11 -0.59 -0.39 0.00 -1.51 0.00 0.00 54.79 52.42 1kkt n ASP 346 Cb 0.44 -5.04 -0.10 0.00 2.34 0.00 0.00 41.12 38.76 1kkt n ASP 346 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1kkt s ARG 347 N -5.57 2.29 0.48 -0.67 1.81 0.24 -4.95 118.95 112.58 1kkt s ARG 347 Ca 0.14 -1.86 0.15 0.00 -1.72 0.00 0.00 55.73 52.44 1kkt s ARG 347 Cb -0.06 -3.77 1.13 0.00 -0.45 0.00 0.00 34.95 31.80 1kkt s ARG 347 CO 0.72 -1.14 2.07 0.37 -0.68 0.00 0.00 175.30 176.63 1kkt h GLN 348 N 8.15 0.00 -0.40 3.54 5.75 -1.93 -2.09 115.11 128.12 1kkt h GLN 348 Ca -0.15 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 1kkt h GLN 348 Cb 1.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1kkt h GLN 348 CO 0.78 0.10 -0.09 0.38 -2.65 0.00 0.00 178.83 177.35 1kkt h ASP 349 N 0.00 0.68 -0.01 -0.69 2.03 -1.96 0.11 116.42 116.59 1kkt h ASP 349 Ca -0.00 -0.19 -0.17 0.00 -0.73 0.00 0.00 57.03 55.94 1kkt h ASP 349 Cb 0.17 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1kkt h ASP 349 CO 0.01 0.81 -0.57 -0.26 -1.03 0.00 0.00 179.24 178.20 1kkt h PHE 350 N 0.64 0.76 -0.30 4.15 0.04 -1.71 -1.95 116.94 118.58 1kkt h PHE 350 Ca 0.12 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 1kkt h PHE 350 Cb 0.53 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1kkt h PHE 350 CO 0.02 1.03 0.09 0.82 -0.60 0.00 0.00 178.31 179.67 1kkt h ILE 351 N 0.46 1.20 -0.66 -0.55 2.04 -1.18 0.45 117.51 119.27 1kkt h ILE 351 Ca 0.00 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1kkt h ILE 351 Cb 1.13 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1kkt h ILE 351 CO 0.11 0.22 0.44 0.44 0.00 0.00 0.00 178.15 179.36 1kkt h ASP 352 N 0.32 0.75 -0.13 1.72 3.32 -0.68 -1.42 116.42 120.31 1kkt h ASP 352 Ca 0.10 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1kkt h ASP 352 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1kkt h ASP 352 CO -0.00 0.54 -0.41 0.15 -1.72 0.00 0.00 179.24 177.80 1kkt h PHE 353 N 0.89 0.80 -0.79 4.55 3.57 -1.21 -2.65 116.94 122.09 1kkt h PHE 353 Ca 0.25 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1kkt h PHE 353 Cb -0.09 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1kkt h PHE 353 CO -0.03 0.97 0.42 0.78 -2.23 0.00 0.00 178.31 178.22 1kkt h GLY 354 N 0.98 1.19 1.60 2.40 0.00 -0.49 -1.76 103.07 106.99 1kkt h GLY 354 Ca 0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1kkt h GLY 354 CO 0.09 0.52 -0.16 1.41 0.00 0.00 0.00 176.54 178.39 1kkt h LEU 355 N 1.11 0.47 -0.56 3.11 3.38 -1.05 -0.24 115.31 121.53 1kkt h LEU 355 Ca 0.28 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1kkt h LEU 355 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1kkt h LEU 355 CO -0.04 0.66 -0.06 -0.33 0.09 0.00 0.00 178.44 178.76 1kkt h GLU 356 N 0.44 1.02 -0.67 1.13 5.08 -1.03 0.45 114.58 121.01 1kkt h GLU 356 Ca 0.08 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1kkt h GLU 356 Cb 0.54 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1kkt h GLU 356 CO 0.04 1.04 0.10 -0.07 -1.00 0.00 0.00 179.01 179.12 1kkt h LEU 357 N 0.91 1.07 -0.36 1.33 3.38 -0.97 -0.88 115.31 119.80 1kkt h LEU 357 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1kkt h LEU 357 Cb 0.62 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1kkt h LEU 357 CO 0.04 1.07 0.22 0.58 0.09 0.00 0.00 178.44 180.43 1kkt h VAL 358 N 1.04 1.12 -0.72 1.22 2.07 -0.71 -1.54 116.25 118.72 1kkt h VAL 358 Ca 0.20 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1kkt h VAL 358 Cb 0.46 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1kkt h VAL 358 CO 0.02 0.12 0.47 0.44 0.02 0.00 0.00 177.57 178.63 1kkt h ASP 359 N 0.46 0.78 -0.29 0.57 3.32 -0.52 -0.27 116.42 120.48 1kkt h ASP 359 Ca 0.13 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1kkt h ASP 359 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1kkt h ASP 359 CO -0.02 0.55 0.18 1.23 -1.72 0.00 0.00 179.24 179.45 1kkt h GLY 360 N 0.93 0.40 1.28 2.75 0.00 -0.80 -0.11 103.07 107.52 1kkt h GLY 360 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1kkt h GLY 360 CO -0.09 0.12 0.04 0.00 0.00 0.00 0.00 176.54 176.62 1kkt h GLU 362 N 0.82 0.54 -0.87 0.00 4.57 -0.59 -2.40 114.58 116.66 1kkt h GLU 362 Ca 0.16 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1kkt h GLU 362 Cb 0.43 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1kkt h GLU 362 CO 0.02 0.51 0.48 0.00 -1.18 0.00 0.00 179.01 178.83 1kkt h ALA 363 N 1.56 1.11 0.00 2.92 0.00 -0.06 -0.94 119.26 123.85 1kkt h ALA 363 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1kkt h ALA 363 Cb 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1kkt h ALA 363 CO -0.00 0.62 -0.22 1.79 0.00 0.00 0.00 179.25 181.43 1kkt h THR 364 N 1.21 0.90 0.03 0.00 1.35 -1.15 -2.86 112.91 112.40 1kkt h THR 364 Ca 0.31 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1kkt h THR 364 Cb 0.02 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1kkt h THR 364 CO -0.05 0.22 -0.02 1.88 -0.25 0.00 0.00 175.52 177.30 1kkt h TYR 365 N 0.00 -0.04 0.00 4.73 -1.99 -1.10 -3.35 116.97 115.22 1kkt h TYR 365 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1kkt h TYR 365 Cb 0.47 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1kkt h TYR 365 CO 0.00 0.51 0.00 0.27 -0.00 0.00 0.00 178.16 178.94 1kkt n ASN 366 N -4.73 0.00 -0.00 3.88 0.23 -0.46 -3.14 115.26 111.04 1kkt n ASN 366 Ca -0.06 -1.51 0.10 0.00 -0.53 0.00 0.00 54.58 52.57 1kkt n ASN 366 Cb 0.28 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.85 1kkt n ASN 366 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1kkt n SER 367 N -0.69 0.77 -4.94 0.53 7.64 -1.08 -4.93 113.62 110.91 1kkt n SER 367 Ca 0.09 -0.74 -0.24 0.00 1.01 0.00 0.00 58.87 58.98 1kkt n SER 367 Cb 0.04 1.24 0.04 0.00 -1.01 0.00 0.00 64.21 64.52 1kkt n SER 367 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1kkt s THR 368 N -3.07 3.00 0.14 0.44 -4.23 -1.20 -5.01 115.64 105.71 1kkt s THR 368 Ca 0.04 -0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 1kkt s THR 368 Cb 0.15 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1kkt s THR 368 CO 0.85 -0.17 1.61 0.25 -0.54 0.00 0.00 174.62 176.63 1kkt h LEU 369 N -0.15 0.76 0.00 4.79 5.85 -1.82 -3.05 115.31 121.70 1kkt h LEU 369 Ca -0.44 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1kkt h LEU 369 Cb 1.29 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1kkt h LEU 369 CO 0.58 0.84 -0.14 0.35 -0.34 0.00 0.00 178.44 179.73 1kkt n THR 370 N -4.42 0.21 -1.52 1.05 -2.24 -0.94 -4.92 114.28 101.49 1kkt n THR 370 Ca 0.00 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1kkt n THR 370 Cb 0.27 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1kkt n THR 370 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kkt n LYS 371 N -1.79 -0.50 -5.19 -0.78 4.76 -1.15 -4.82 118.16 108.69 1kkt n LYS 371 Ca 0.06 0.59 -0.30 0.00 -2.87 0.00 0.00 58.31 55.79 1kkt n LYS 371 Cb 0.38 -4.41 -0.16 0.00 -1.84 0.00 0.00 35.03 28.99 1kkt n LYS 371 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1kkt s ILE 372 N -2.28 1.93 0.64 -0.18 1.01 -1.19 -4.56 121.20 116.58 1kkt s ILE 372 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1kkt s ILE 372 Cb 0.00 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1kkt s ILE 372 CO 0.00 0.54 1.04 -0.83 0.00 0.00 0.00 174.94 175.70 1kkt s GLY 373 N -0.25 1.77 0.69 6.18 0.00 -1.26 -4.73 107.32 109.74 1kkt s GLY 373 Ca -0.00 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1kkt s GLY 373 CO 0.02 0.40 1.06 2.56 0.00 0.00 0.00 173.10 177.14 1kkt s PRO 374 N -4.83 2.95 0.35 2.90 0.04 -1.26 -4.77 135.00 130.37 1kkt s PRO 374 Ca 0.58 0.92 0.17 0.00 0.04 0.00 0.00 61.00 62.71 1kkt s PRO 374 Cb -0.13 -1.99 0.56 0.00 0.04 0.00 0.00 34.50 32.97 1kkt s PRO 374 CO 0.50 -1.08 1.68 0.22 0.04 0.00 0.00 177.00 178.35 1kkt h ASP 375 N -0.71 0.00 -4.95 6.66 3.58 -0.69 -3.37 116.42 116.94 1kkt h ASP 375 Ca -0.44 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.94 1kkt h ASP 375 Cb 1.21 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.07 1kkt h ASP 375 CO 0.57 0.43 0.13 -0.94 -2.88 0.00 0.00 179.24 176.55 1kkt s SER 376 N -6.50 -0.60 0.20 2.28 1.04 -1.15 -1.45 113.70 107.52 1kkt s SER 376 Ca 0.00 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 56.98 1kkt s SER 376 Cb 0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1kkt s SER 376 CO 0.70 -0.57 0.41 -1.66 0.98 0.00 0.00 173.24 173.10 1kkt s TRP 377 N -1.13 0.22 0.21 5.02 -2.14 -0.71 -1.67 118.94 118.74 1kkt s TRP 377 Ca -0.11 -0.58 0.01 0.00 2.66 0.00 0.00 56.10 58.08 1kkt s TRP 377 Cb -0.01 0.15 -0.05 0.00 -3.10 0.00 0.00 33.47 30.47 1kkt s TRP 377 CO 0.09 -0.85 0.08 0.20 -2.66 0.00 0.00 176.95 173.80 1kkt s GLY 378 N -2.95 1.48 0.00 3.67 0.00 -0.44 -0.63 107.32 108.44 1kkt s GLY 378 Ca 0.16 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1kkt s GLY 378 CO 0.01 -1.51 0.80 -2.67 0.00 0.00 0.00 173.10 169.73 1kkt n TRP 379 N -0.34 0.00 -2.23 1.90 2.14 -0.63 -1.13 117.44 117.15 1kkt n TRP 379 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.13 1kkt n TRP 379 Cb 0.65 0.05 -0.02 0.00 -0.81 0.00 0.00 31.31 31.18 1kkt n TRP 379 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1kkt s ASP 380 N -0.62 6.44 0.46 -0.67 -1.08 -1.25 -4.52 116.67 115.43 1kkt s ASP 380 Ca 0.00 1.38 0.22 0.00 -0.52 0.00 0.00 52.55 53.63 1kkt s ASP 380 Cb 0.00 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.15 1kkt s ASP 380 CO 0.00 -1.25 1.87 -0.65 0.52 0.00 0.00 175.17 175.66 1kkt h PRO 381 N 10.39 0.26 0.00 4.34 0.11 -1.97 -0.49 132.00 144.63 1kkt h PRO 381 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1kkt h PRO 381 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1kkt h PRO 381 CO 1.02 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.61 1kkt n LYS 382 N -4.44 0.11 -0.09 1.05 5.02 -1.26 -3.79 118.16 114.76 1kkt n LYS 382 Ca 0.19 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 1kkt n LYS 382 Cb 0.79 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.37 1kkt n LYS 382 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kkt n LYS 383 N -1.44 1.59 -1.98 1.97 5.02 -0.20 -5.03 118.16 118.09 1kkt n LYS 383 Ca 0.08 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 53.99 1kkt n LYS 383 Cb 0.29 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 1kkt n LYS 383 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kkt s VAL 384 N -1.82 3.53 0.34 -0.18 1.01 -1.18 -4.94 120.40 117.15 1kkt s VAL 384 Ca 0.17 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1kkt s VAL 384 Cb 0.15 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 1kkt s VAL 384 CO 0.02 -0.10 1.50 -2.84 0.00 0.00 0.00 175.10 173.67 1kkt s PRO 385 N 4.32 4.15 0.32 2.72 0.02 -1.26 -4.82 135.00 140.44 1kkt s PRO 385 Ca 0.76 2.52 0.08 0.00 0.02 0.00 0.00 61.00 64.38 1kkt s PRO 385 Cb -0.32 -3.00 0.82 0.00 0.02 0.00 0.00 34.50 32.01 1kkt s PRO 385 CO 0.31 -0.52 1.77 0.77 -0.33 0.00 0.00 177.00 179.00 1kkt h SER 386 N 3.72 0.72 0.52 2.53 0.02 -2.00 0.14 113.55 119.20 1kkt h SER 386 Ca -0.49 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1kkt h SER 386 Cb 1.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1kkt h SER 386 CO 0.70 0.23 0.00 -0.90 -1.14 0.00 0.00 176.83 175.71 1kkt n ASP 387 N -4.76 0.00 -0.07 3.07 5.75 -1.26 -3.02 116.55 116.27 1kkt n ASP 387 Ca 0.24 0.10 0.01 0.00 -0.01 0.00 0.00 54.79 55.13 1kkt n ASP 387 Cb 0.63 -0.34 0.01 0.00 -1.03 0.00 0.00 41.12 40.39 1kkt n ASP 387 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kkt n GLN 388 N -1.34 0.18 -0.31 0.11 6.02 0.41 -4.82 117.38 117.63 1kkt n GLN 388 Ca 0.09 -0.85 -0.06 0.00 -0.01 0.00 0.00 57.00 56.18 1kkt n GLN 388 Cb 0.20 -1.03 -0.01 0.00 1.02 0.00 0.00 30.24 30.42 1kkt n GLN 388 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1kkt h LYS 389 N 0.31 -0.09 0.00 -1.09 3.64 -1.23 0.07 116.57 118.18 1kkt h LYS 389 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1kkt h LYS 389 Cb 0.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1kkt h LYS 389 CO 0.00 -0.06 -0.37 0.93 -2.27 0.00 0.00 179.45 177.69 1kkt h GLU 390 N -0.09 0.00 -0.10 1.90 5.08 -1.87 -1.85 114.58 117.64 1kkt h GLU 390 Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1kkt h GLU 390 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1kkt h GLU 390 CO -0.85 0.37 -0.05 0.35 -1.00 0.00 0.00 179.01 177.82 1kkt h PHE 391 N 0.00 0.25 -0.24 4.33 3.57 -1.44 -2.92 116.94 120.49 1kkt h PHE 391 Ca -0.00 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1kkt h PHE 391 Cb 0.74 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1kkt h PHE 391 CO 0.00 0.56 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.70 1kkt h TYR 392 N -0.14 -0.06 -0.60 0.41 3.20 -0.88 0.47 116.97 119.37 1kkt h TYR 392 Ca 0.02 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1kkt h TYR 392 Cb 0.50 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1kkt h TYR 392 CO 0.07 -0.06 0.41 0.93 -1.64 0.00 0.00 178.16 177.86 1kkt h GLU 393 N 0.04 0.34 0.01 1.82 5.08 -1.31 0.19 114.58 120.76 1kkt h GLU 393 Ca 0.11 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 58.08 1kkt h GLU 393 Cb 0.16 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1kkt h GLU 393 CO -0.21 0.22 -2.34 0.36 -1.00 0.00 0.00 179.01 176.04 1kkt n LYS 394 N -4.46 0.67 0.05 2.33 2.85 -0.90 -4.61 118.16 114.10 1kkt n LYS 394 Ca 0.10 0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.31 1kkt n LYS 394 Cb 0.42 -1.56 -0.14 0.00 -0.65 0.00 0.00 35.03 33.09 1kkt n LYS 394 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kkt h ALA 395 N 0.38 0.30 0.00 0.58 0.00 -0.02 -3.49 119.26 117.01 1kkt h ALA 395 Ca -0.53 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.21 1kkt h ALA 395 Cb 2.03 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1kkt h ALA 395 CO -0.02 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1kkt n GLY 396 N 1.73 1.12 3.61 0.00 0.00 0.67 -4.96 105.19 107.37 1kkt n GLY 396 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1kkt n GLY 396 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kkt s PHE 397 N -2.00 -0.13 0.11 1.61 -0.12 -1.24 -4.75 117.98 111.46 1kkt s PHE 397 Ca 0.00 0.01 0.10 0.00 -0.05 0.00 0.00 56.93 56.99 1kkt s PHE 397 Cb 0.00 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1kkt s PHE 397 CO 0.00 -0.37 -0.26 1.52 -0.05 0.00 0.00 175.22 176.06 1kkt s TYR 398 N -2.65 2.20 -0.12 3.49 -0.85 -0.28 -3.75 117.35 115.38 1kkt s TYR 398 Ca 0.11 -0.39 -0.24 0.00 -0.52 0.00 0.00 57.07 56.02 1kkt s TYR 398 Cb 0.01 -1.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.12 1kkt s TYR 398 CO -0.04 0.29 0.77 0.42 -1.52 0.00 0.00 175.55 175.47 1kkt s ILE 399 N -1.04 4.96 -0.16 -3.49 1.01 -1.26 -1.33 121.20 119.88 1kkt s ILE 399 Ca 0.12 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.30 1kkt s ILE 399 Cb -0.10 -4.10 -0.23 0.00 0.01 0.00 0.00 42.46 38.04 1kkt s ILE 399 CO 0.05 0.13 0.19 -1.20 0.00 0.00 0.00 174.94 174.11 1kkt n SER 400 N 4.56 1.93 -3.62 3.58 7.64 -0.67 -4.84 113.62 122.20 1kkt n SER 400 Ca 0.02 0.11 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 1kkt n SER 400 Cb 0.50 -0.61 -0.17 0.00 -1.01 0.00 0.00 64.21 62.93 1kkt n SER 400 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1kkt s SER 401 N -6.76 1.70 -0.05 6.43 0.15 -1.13 -4.99 113.70 109.04 1kkt s SER 401 Ca -0.25 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.24 1kkt s SER 401 Cb 0.07 -0.06 0.38 0.00 -1.71 0.00 0.00 66.02 64.70 1kkt s SER 401 CO 0.72 -0.31 1.22 0.61 1.20 0.00 0.00 173.24 176.69 1kkt n GLY 402 N 5.30 1.42 3.86 9.45 0.00 -1.26 -1.58 105.19 122.37 1kkt n GLY 402 Ca -0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1kkt n GLY 402 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kkt s SER 403 N -0.75 6.34 -0.13 1.61 1.04 -1.13 0.12 113.70 120.80 1kkt s SER 403 Ca 0.27 1.42 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 1kkt s SER 403 Cb 0.17 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.87 1kkt s SER 403 CO 0.14 -0.77 0.02 -0.47 0.98 0.00 0.00 173.24 173.14 1kkt s TYR 404 N -2.99 0.76 -0.62 5.02 5.04 0.26 -2.04 117.35 122.78 1kkt s TYR 404 Ca 0.55 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1kkt s TYR 404 Cb -0.11 -0.88 0.43 0.00 0.35 0.00 0.00 41.96 41.75 1kkt s TYR 404 CO 0.47 -0.46 1.81 1.33 -1.34 0.00 0.00 175.55 177.36 1kkt n VAL 405 N 5.12 3.33 -3.13 3.14 0.24 -1.26 -0.49 118.33 125.28 1kkt n VAL 405 Ca -0.08 -3.58 -0.22 0.00 -2.04 0.00 0.00 64.34 58.42 1kkt n VAL 405 Cb 0.49 -1.18 0.05 0.00 -1.47 0.00 0.00 33.84 31.72 1kkt n VAL 405 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1kkt n LEU 406 N -0.78 -2.84 -4.81 1.34 4.77 -1.26 -4.79 117.00 108.64 1kkt n LEU 406 Ca 0.56 -0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1kkt n LEU 406 Cb 0.63 -2.93 -0.05 0.00 -2.33 0.00 0.00 43.42 38.75 1kkt n LEU 406 CO 0.63 0.33 0.69 -0.13 -1.33 0.00 0.00 177.39 177.58 1kkt s ARG 407 N -5.81 3.95 0.00 3.23 0.52 -1.26 -4.55 118.95 115.02 1kkt s ARG 407 Ca 0.36 1.26 0.14 0.00 -0.52 0.00 0.00 55.73 56.97 1kkt s ARG 407 Cb -0.16 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.24 1kkt s ARG 407 CO 0.45 -0.29 0.85 -0.35 0.02 0.00 0.00 175.30 175.97 1kkt n PRO 408 N -0.89 1.38 -0.34 3.54 -0.04 -1.26 -4.77 135.00 132.62 1kkt n PRO 408 Ca 0.08 -1.03 0.10 0.00 -0.04 0.00 0.00 63.50 62.61 1kkt n PRO 408 Cb 0.53 -1.22 0.30 0.00 -0.04 0.00 0.00 33.50 33.06 1kkt n PRO 408 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kkt h GLU 409 N 2.12 0.84 -0.15 0.54 3.07 -1.93 0.26 114.58 119.34 1kkt h GLU 409 Ca 0.00 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1kkt h GLU 409 Cb 0.51 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1kkt h GLU 409 CO 0.00 0.56 -0.13 0.28 -1.40 0.00 0.00 179.01 178.31 1kkt h VAL 410 N 0.87 1.34 -0.24 3.13 2.07 -1.82 -2.23 116.25 119.37 1kkt h VAL 410 Ca 0.50 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1kkt h VAL 410 Cb 0.65 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1kkt h VAL 410 CO -0.28 0.37 -0.09 0.40 0.02 0.00 0.00 177.57 177.99 1kkt h ILE 411 N -0.02 1.20 -0.10 4.57 2.04 -1.77 -1.39 117.51 122.03 1kkt h ILE 411 Ca 0.03 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1kkt h ILE 411 Cb 0.65 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1kkt h ILE 411 CO 0.03 0.27 0.05 -0.08 0.00 0.00 0.00 178.15 178.43 1kkt h GLU 412 N 0.36 0.10 -0.28 2.37 4.81 -0.33 -0.16 114.58 121.46 1kkt h GLU 412 Ca 0.07 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1kkt h GLU 412 Cb 0.39 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1kkt h GLU 412 CO 0.02 0.07 -0.32 0.77 -0.73 0.00 0.00 179.01 178.82 1kkt h SER 413 N 0.11 0.61 -0.75 1.04 0.02 -1.03 -2.39 113.55 111.15 1kkt h SER 413 Ca 0.04 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1kkt h SER 413 Cb 0.00 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1kkt h SER 413 CO -0.03 0.89 0.49 -0.26 -1.14 0.00 0.00 176.83 176.78 1kkt h PHE 414 N 0.50 0.96 -0.42 3.45 0.05 -0.99 -0.40 116.94 120.09 1kkt h PHE 414 Ca 0.06 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.90 1kkt h PHE 414 Cb 0.80 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 38.39 1kkt h PHE 414 CO 0.03 0.61 0.20 -0.92 -0.18 0.00 0.00 178.31 178.06 1kkt h TYR 415 N 1.02 0.37 -0.58 -0.55 5.03 -0.61 -1.35 116.97 120.31 1kkt h TYR 415 Ca 0.27 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.52 1kkt h TYR 415 Cb -0.10 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.05 1kkt h TYR 415 CO -0.02 0.19 0.05 1.88 -1.32 0.00 0.00 178.16 178.94 1kkt h TYR 416 N 0.41 1.07 -1.00 -3.82 -1.99 -1.02 -2.02 116.97 108.60 1kkt h TYR 416 Ca 0.18 -0.17 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1kkt h TYR 416 Cb 0.10 -0.29 -0.07 0.00 2.00 0.00 0.00 36.73 38.48 1kkt h TYR 416 CO -0.11 0.94 0.65 0.00 -0.00 0.00 0.00 178.16 179.64 1kkt h ALA 417 N 0.99 1.39 -0.35 3.88 0.00 -0.60 0.14 119.26 124.70 1kkt h ALA 417 Ca 0.17 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1kkt h ALA 417 Cb 0.48 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kkt h ALA 417 CO 0.02 0.45 -0.38 1.25 0.00 0.00 0.00 179.25 180.59 1kkt h HIS 418 N 1.18 1.07 -0.38 0.00 -0.00 -1.04 -1.30 115.15 114.67 1kkt h HIS 418 Ca 0.43 -0.33 -0.13 0.00 -0.00 0.00 0.00 60.37 60.34 1kkt h HIS 418 Cb 0.16 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1kkt h HIS 418 CO -0.00 1.14 -0.28 0.00 -0.00 0.00 0.00 177.93 178.79 1kkt h ARG 419 N 0.69 0.82 0.06 5.26 2.47 -0.61 0.15 114.38 123.21 1kkt h ARG 419 Ca 0.05 -0.37 -0.22 0.00 -1.26 0.00 0.00 59.98 58.19 1kkt h ARG 419 Cb 0.97 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 29.30 1kkt h ARG 419 CO 0.09 1.00 -0.88 0.28 0.56 0.00 0.00 179.97 181.02 1kkt h VAL 420 N 0.70 1.38 0.00 2.04 2.07 -0.75 -3.37 116.25 118.32 1kkt h VAL 420 Ca 0.08 -2.29 -0.29 0.00 0.82 0.00 0.00 66.70 65.03 1kkt h VAL 420 Cb 0.82 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 1kkt h VAL 420 CO 0.07 0.68 -1.86 0.35 0.02 0.00 0.00 177.57 176.83 1kkt n THR 421 N -4.03 1.45 -1.00 2.57 -2.24 -0.49 -4.97 114.28 105.57 1kkt n THR 421 Ca -0.12 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1kkt n THR 421 Cb 0.82 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1kkt n THR 421 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkt n GLY 422 N 1.58 0.88 3.73 3.38 0.00 0.51 -5.00 105.19 110.27 1kkt n GLY 422 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1kkt n GLY 422 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkt s LYS 423 N -0.00 4.60 0.39 1.61 -0.14 -1.26 -4.95 119.74 119.99 1kkt s LYS 423 Ca 0.00 1.66 0.12 0.00 -1.36 0.00 0.00 55.97 56.39 1kkt s LYS 423 Cb 0.00 -3.31 0.80 0.00 -1.68 0.00 0.00 37.83 33.64 1kkt s LYS 423 CO 0.00 0.08 1.89 1.49 -0.76 0.00 0.00 175.35 178.04 1kkt h GLU 424 N 5.39 0.07 -0.96 1.68 4.57 -1.94 -3.19 114.58 120.19 1kkt h GLU 424 Ca -0.44 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 57.87 1kkt h GLU 424 Cb 1.21 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 1kkt h GLU 424 CO 0.73 0.33 0.61 0.97 -1.18 0.00 0.00 179.01 180.47 1kkt h ILE 425 N 0.06 0.83 -0.04 2.32 6.09 -2.00 -1.19 117.51 123.59 1kkt h ILE 425 Ca 0.01 -0.28 -0.11 0.00 -1.37 0.00 0.00 64.86 63.11 1kkt h ILE 425 Cb 0.51 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.73 1kkt h ILE 425 CO 0.04 0.15 -0.50 1.88 -3.07 0.00 0.00 178.15 176.64 1kkt h TYR 426 N 0.81 0.12 -0.31 2.19 -1.99 -1.90 -1.46 116.97 114.43 1kkt h TYR 426 Ca 0.50 -0.04 -0.15 0.00 2.00 0.00 0.00 58.73 61.04 1kkt h TYR 426 Cb 0.70 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 1kkt h TYR 426 CO -0.00 0.59 -0.41 -0.09 -0.00 0.00 0.00 178.16 178.24 1kkt h ARG 427 N 0.08 0.77 -0.66 4.88 2.43 -1.40 -2.35 114.38 118.14 1kkt h ARG 427 Ca 0.00 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 1kkt h ARG 427 Cb 0.92 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1kkt h ARG 427 CO 0.07 1.04 0.28 -0.44 -1.51 0.00 0.00 179.97 179.40 1kkt h ASP 428 N 0.63 0.89 -0.39 -3.80 3.45 -0.89 -1.51 116.42 114.79 1kkt h ASP 428 Ca 0.05 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 1kkt h ASP 428 Cb 0.97 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1kkt h ASP 428 CO 0.09 0.81 0.16 -0.50 -1.57 0.00 0.00 179.24 178.23 1kkt h TRP 429 N 0.92 0.65 -0.22 4.55 6.55 -1.15 0.25 115.95 127.50 1kkt h TRP 429 Ca 0.22 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.01 1kkt h TRP 429 Cb 0.18 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1kkt h TRP 429 CO 0.01 0.53 0.06 0.28 -1.05 0.00 0.00 178.44 178.27 1kkt h VAL 430 N 0.64 1.20 -0.41 1.49 2.07 -0.84 -1.93 116.25 118.47 1kkt h VAL 430 Ca 0.15 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1kkt h VAL 430 Cb 0.16 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1kkt h VAL 430 CO -0.01 0.20 0.16 -0.25 0.02 0.00 0.00 177.57 177.69 1kkt h TRP 431 N 0.18 0.62 -0.90 1.57 2.91 -0.64 -0.24 115.95 119.45 1kkt h TRP 431 Ca 0.07 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1kkt h TRP 431 Cb 0.25 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.66 1kkt h TRP 431 CO 0.00 0.54 0.58 -0.91 -1.03 0.00 0.00 178.44 177.62 1kkt h ASN 432 N 0.51 0.95 -0.18 2.65 -0.26 -0.46 0.09 115.58 118.88 1kkt h ASN 432 Ca 0.14 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1kkt h ASN 432 Cb 0.19 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1kkt h ASN 432 CO -0.01 0.64 -0.02 0.00 -1.06 0.00 0.00 177.43 176.98 1kkt h ALA 433 N 1.38 0.24 -0.54 -0.83 0.00 -1.07 -2.17 119.26 116.27 1kkt h ALA 433 Ca 0.37 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1kkt h ALA 433 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1kkt h ALA 433 CO -0.13 -0.02 0.29 0.35 0.00 0.00 0.00 179.25 179.74 1kkt h PHE 434 N 0.06 0.53 -0.69 0.00 3.57 -0.43 0.33 116.94 120.30 1kkt h PHE 434 Ca 0.05 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1kkt h PHE 434 Cb 0.44 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1kkt h PHE 434 CO 0.04 0.27 0.23 0.28 -2.23 0.00 0.00 178.31 176.90 1kkt h VAL 435 N 0.56 1.25 -0.56 1.41 2.07 -1.00 0.22 116.25 120.21 1kkt h VAL 435 Ca 0.23 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1kkt h VAL 435 Cb 0.12 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1kkt h VAL 435 CO -0.15 0.34 0.24 0.00 0.02 0.00 0.00 177.57 178.02 1kkt h ALA 436 N 1.10 0.73 -0.30 1.67 0.00 -0.80 0.92 119.26 122.58 1kkt h ALA 436 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1kkt h ALA 436 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kkt h ALA 436 CO -0.01 0.33 0.09 0.82 0.00 0.00 0.00 179.25 180.47 1kkt h ILE 437 N 0.77 1.21 -0.96 0.00 2.04 -0.66 -0.76 117.51 119.15 1kkt h ILE 437 Ca 0.19 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1kkt h ILE 437 Cb 0.18 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1kkt h ILE 437 CO -0.02 0.22 0.59 -1.13 0.00 0.00 0.00 178.15 177.82 1kkt h ASN 438 N 0.32 1.14 0.29 1.72 -1.24 -0.69 0.11 115.58 117.23 1kkt h ASN 438 Ca 0.10 -0.06 -0.22 0.00 0.71 0.00 0.00 56.30 56.83 1kkt h ASN 438 Cb 0.26 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1kkt h ASN 438 CO -0.00 0.86 -0.89 -1.28 -1.29 0.00 0.00 177.43 174.83 1kkt h SER 439 N 1.32 0.55 0.00 1.15 0.87 -0.68 -3.22 113.55 113.54 1kkt h SER 439 Ca 0.35 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1kkt h SER 439 Cb -0.08 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1kkt h SER 439 CO -0.07 1.21 -1.79 1.07 -0.53 0.00 0.00 176.83 176.72 1kkt n THR 440 N -3.77 0.00 0.50 2.23 5.66 -0.30 -4.60 114.28 113.99 1kkt n THR 440 Ca -0.06 -0.41 0.09 0.00 -3.05 0.00 0.00 64.05 60.62 1kkt n THR 440 Cb 0.81 0.15 -0.12 0.00 -1.55 0.00 0.00 70.33 69.62 1kkt n THR 440 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kkt s ARG 442 N -2.97 4.32 0.42 0.00 3.52 -1.22 -0.20 118.95 122.82 1kkt s ARG 442 Ca 0.01 2.18 0.04 0.00 -0.13 0.00 0.00 55.73 57.83 1kkt s ARG 442 Cb 0.13 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1kkt s ARG 442 CO 0.77 -0.36 0.05 0.95 -0.81 0.00 0.00 175.30 175.89 1kkt s THR 443 N 0.21 1.19 0.47 4.11 -4.23 0.86 -4.90 115.64 113.35 1kkt s THR 443 Ca 0.59 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.27 1kkt s THR 443 Cb -0.39 -2.52 0.33 0.00 1.34 0.00 0.00 72.50 71.26 1kkt s THR 443 CO 0.39 0.00 2.01 0.44 -0.54 0.00 0.00 174.62 176.92 1kkt h ASP 444 N 1.72 0.24 0.00 3.99 3.32 -1.96 -3.07 116.42 120.66 1kkt h ASP 444 Ca -0.41 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.48 1kkt h ASP 444 Cb 1.27 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1kkt h ASP 444 CO 0.70 0.15 -2.07 -1.54 -1.72 0.00 0.00 179.24 174.76 1kkt n SER 445 N -4.46 0.53 0.00 6.45 3.41 -1.26 -4.92 113.62 113.36 1kkt n SER 445 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1kkt n SER 445 Cb 0.38 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 1kkt n SER 445 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkt n GLY 446 N 1.64 1.47 3.04 5.00 0.00 -1.16 -3.42 105.19 111.76 1kkt n GLY 446 Ca -0.17 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1kkt n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kkt s PHE 447 N 1.64 0.89 0.20 1.61 0.08 -1.26 -0.10 117.98 121.04 1kkt s PHE 447 Ca 0.00 -0.18 0.11 0.00 0.12 0.00 0.00 56.93 56.98 1kkt s PHE 447 Cb 0.00 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1kkt s PHE 447 CO 0.00 -0.01 -0.23 0.00 -0.10 0.00 0.00 175.22 174.88 1kkt s ALA 448 N -0.29 2.49 0.67 5.36 0.00 0.72 -4.49 121.76 126.23 1kkt s ALA 448 Ca 0.03 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 1kkt s ALA 448 Cb -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1kkt s ALA 448 CO -0.00 0.40 1.10 0.00 0.00 0.00 0.00 175.76 177.25 1kkt s ALA 449 N -1.77 2.48 0.06 0.00 0.00 -1.00 -4.69 121.76 116.83 1kkt s ALA 449 Ca 0.21 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1kkt s ALA 449 Cb -0.07 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1kkt s ALA 449 CO 0.10 -1.31 -0.22 0.08 0.00 0.00 0.00 175.76 174.41 1kkt s VAL 450 N -2.51 1.77 0.07 0.00 1.01 0.36 -0.57 120.40 120.53 1kkt s VAL 450 Ca 0.65 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1kkt s VAL 450 Cb -0.19 -1.55 -0.22 0.00 0.00 0.00 0.00 36.38 34.43 1kkt s VAL 450 CO 0.44 0.19 1.08 0.77 0.00 0.00 0.00 175.10 177.59 1kkt h SER 451 N 4.71 0.03 -2.31 3.32 4.64 -0.88 0.76 113.55 123.83 1kkt h SER 451 Ca -0.44 -0.04 -0.37 0.00 -0.47 0.00 0.00 61.79 60.47 1kkt h SER 451 Cb 1.16 -0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 62.89 1kkt h SER 451 CO 0.43 1.03 -0.66 -0.62 -0.87 0.00 0.00 176.83 176.14 1kkt s ASP 452 N -6.56 2.02 0.00 4.97 -1.08 0.24 -2.86 116.67 113.40 1kkt s ASP 452 Ca -0.01 -0.81 0.10 0.00 -0.52 0.00 0.00 52.55 51.31 1kkt s ASP 452 Cb 0.09 0.33 0.50 0.00 -1.46 0.00 0.00 42.92 42.38 1kkt s ASP 452 CO 0.82 -0.39 1.26 1.33 0.52 0.00 0.00 175.17 178.71 1kkt n VAL 453 N 5.30 0.93 -1.15 1.11 0.24 0.12 -2.26 118.33 122.62 1kkt n VAL 453 Ca -0.03 0.23 0.02 0.00 -2.04 0.00 0.00 64.34 62.52 1kkt n VAL 453 Cb 0.46 -1.06 0.25 0.00 -1.47 0.00 0.00 33.84 32.02 1kkt n VAL 453 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1kkt n ASN 454 N -1.36 3.60 -4.23 -1.34 5.15 -1.26 -2.22 115.26 113.61 1kkt n ASN 454 Ca 0.04 -3.29 -0.15 0.00 -0.60 0.00 0.00 54.58 50.58 1kkt n ASN 454 Cb 0.10 -0.61 -0.11 0.00 -0.53 0.00 0.00 39.78 38.63 1kkt n ASN 454 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kkt s LYS 455 N -3.00 0.99 0.22 1.20 1.02 -0.96 -4.63 119.74 114.58 1kkt s LYS 455 Ca 0.45 -1.31 -0.32 0.00 0.02 0.00 0.00 55.97 54.82 1kkt s LYS 455 Cb 0.38 -0.66 -0.14 0.00 -0.52 0.00 0.00 37.83 36.89 1kkt s LYS 455 CO 0.07 0.10 1.37 0.00 -0.92 0.00 0.00 175.35 175.97 1kkt n ALA 456 N 0.21 0.78 -1.57 5.17 0.00 -1.26 -1.18 120.51 122.66 1kkt n ALA 456 Ca -0.13 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.55 1kkt n ALA 456 Cb 0.59 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 1kkt n ALA 456 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkt n ASN 457 N 2.19 -4.74 -0.13 0.00 3.02 -1.26 -2.02 115.26 112.31 1kkt n ASN 457 Ca 0.12 0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 55.08 1kkt n ASN 457 Cb 0.30 -4.24 -0.01 0.00 -0.61 0.00 0.00 39.78 35.22 1kkt n ASN 457 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkt n GLY 458 N -0.37 0.53 6.26 7.41 0.00 -0.32 -4.70 105.19 114.00 1kkt n GLY 458 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1kkt n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkt n GLY 459 N -2.37 1.69 3.35 -0.02 0.00 -0.85 -0.59 105.19 106.39 1kkt n GLY 459 Ca -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1kkt n GLY 459 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkt s SER 460 N -4.00 3.08 0.13 1.61 0.01 -1.26 -4.95 113.70 108.32 1kkt s SER 460 Ca 0.00 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.40 1kkt s SER 460 Cb 0.00 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.95 1kkt s SER 460 CO 0.00 0.16 0.56 -0.54 0.41 0.00 0.00 173.24 173.83 1kkt s LYS 461 N -1.87 4.03 0.20 12.44 1.02 -1.26 -0.96 119.74 133.33 1kkt s LYS 461 Ca 0.12 0.55 -0.10 0.00 0.02 0.00 0.00 55.97 56.55 1kkt s LYS 461 Cb -0.10 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1kkt s LYS 461 CO 0.05 0.51 0.52 0.71 -0.92 0.00 0.00 175.35 176.22 1kkt s TYR 462 N -1.40 3.46 -1.40 3.18 1.51 0.26 -4.94 117.35 118.02 1kkt s TYR 462 Ca 0.36 0.86 -0.09 0.00 -1.01 0.00 0.00 57.07 57.19 1kkt s TYR 462 Cb -0.16 -2.24 0.07 0.00 -0.11 0.00 0.00 41.96 39.52 1kkt s TYR 462 CO 0.19 0.32 2.34 -3.47 -1.11 0.00 0.00 175.55 173.82 1kkt n ASP 463 N 0.07 6.56 -3.72 2.29 2.03 -1.26 -3.87 116.55 118.65 1kkt n ASP 463 Ca -0.01 -2.95 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 1kkt n ASP 463 Cb 0.52 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1kkt n ASP 463 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1kkt s ASN 464 N 1.43 -0.43 -0.31 1.67 3.84 -1.26 -4.66 114.94 115.22 1kkt s ASN 464 Ca 0.52 0.79 -0.02 0.00 0.21 0.00 0.00 52.86 54.35 1kkt s ASN 464 Cb 0.15 0.71 0.11 0.00 -0.55 0.00 0.00 41.25 41.67 1kkt s ASN 464 CO -0.06 -0.17 0.14 -1.58 -2.79 0.00 0.00 177.10 172.65 1kkt s GLN 465 N 1.01 0.42 0.63 0.43 0.74 -1.24 -2.37 119.66 119.26 1kkt s GLN 465 Ca -0.07 -0.86 -0.17 0.00 0.05 0.00 0.00 55.36 54.31 1kkt s GLN 465 Cb -0.07 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.61 1kkt s GLN 465 CO -0.08 -1.06 1.15 -1.21 -0.55 0.00 0.00 175.29 173.55 1kkt s GLU 466 N 1.72 2.86 0.43 1.67 0.41 -1.26 -4.49 118.70 120.04 1kkt s GLU 466 Ca 0.11 1.61 0.17 0.00 -0.41 0.00 0.00 54.97 56.45 1kkt s GLU 466 Cb -0.18 -1.94 1.08 0.00 -1.78 0.00 0.00 34.13 31.31 1kkt s GLU 466 CO -0.26 -1.24 1.91 1.03 -0.49 0.00 0.00 175.26 176.21 1kkt h SER 467 N 0.46 0.37 0.33 -0.19 0.87 -1.92 -1.80 113.55 111.66 1kkt h SER 467 Ca -0.49 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1kkt h SER 467 Cb 1.27 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1kkt h SER 467 CO 0.54 0.18 0.00 2.22 -0.53 0.00 0.00 176.83 179.25 1kkt n PHE 468 N -4.47 0.00 -0.07 2.24 1.16 -1.26 -2.07 117.46 112.99 1kkt n PHE 468 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1kkt n PHE 468 Cb 0.57 -0.42 -0.03 0.00 -1.61 0.00 0.00 39.48 37.99 1kkt n PHE 468 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1kkt h LEU 469 N 0.00 0.30 -0.06 5.98 7.12 -1.56 0.21 115.31 127.29 1kkt h LEU 469 Ca 0.00 -0.07 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 1kkt h LEU 469 Cb 0.16 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1kkt h LEU 469 CO 0.00 0.28 -0.16 -0.26 -0.13 0.00 0.00 178.44 178.16 1kkt h PHE 470 N 0.30 0.27 -0.37 1.25 -1.00 -1.62 -2.48 116.94 113.29 1kkt h PHE 470 Ca 0.09 -0.11 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1kkt h PHE 470 Cb 0.04 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1kkt h PHE 470 CO -0.04 0.78 -0.23 0.00 -1.61 0.00 0.00 178.31 177.21 1kkt h ALA 471 N 0.45 0.52 0.00 2.45 0.00 -1.48 -3.37 119.26 117.82 1kkt h ALA 471 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1kkt h ALA 471 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1kkt h ALA 471 CO 0.03 0.50 -1.19 0.39 0.00 0.00 0.00 179.25 178.98 1kkt n GLU 472 N -4.24 0.19 -0.14 0.00 1.02 0.69 -4.22 120.64 113.94 1kkt n GLU 472 Ca -0.02 0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1kkt n GLU 472 Cb 0.44 -0.82 0.04 0.00 -0.02 0.00 0.00 31.44 31.09 1kkt n GLU 472 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kkt h VAL 473 N -0.33 0.92 -0.09 2.62 2.07 -1.40 -1.21 116.25 118.83 1kkt h VAL 473 Ca -0.17 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 1kkt h VAL 473 Cb 0.97 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1kkt h VAL 473 CO -0.10 0.07 -0.70 0.24 0.02 0.00 0.00 177.57 177.09 1kkt h MET 474 N 0.39 0.43 0.11 1.57 2.86 -1.64 -2.74 114.93 115.90 1kkt h MET 474 Ca 0.20 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1kkt h MET 474 Cb 0.15 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1kkt h MET 474 CO -0.17 0.97 -0.05 -0.22 1.06 0.00 0.00 176.91 178.49 1kkt h LYS 475 N 0.30 -0.14 -0.59 1.72 3.64 -1.66 -2.46 116.57 117.37 1kkt h LYS 475 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1kkt h LYS 475 Cb 1.27 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1kkt h LYS 475 CO 0.12 0.32 0.31 1.88 -2.27 0.00 0.00 179.45 179.81 1kkt h TYR 476 N -0.70 0.81 -0.63 1.91 0.99 -1.34 0.93 116.97 118.94 1kkt h TYR 476 Ca -0.02 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 1kkt h TYR 476 Cb 0.53 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.98 1kkt h TYR 476 CO 0.09 0.58 0.08 0.77 -0.00 0.00 0.00 178.16 179.68 1kkt h SER 477 N 0.83 0.99 -0.01 3.88 0.02 -1.54 -2.30 113.55 115.42 1kkt h SER 477 Ca 0.21 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1kkt h SER 477 Cb 0.05 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1kkt h SER 477 CO -0.03 1.00 -0.05 0.22 -1.14 0.00 0.00 176.83 176.82 1kkt h TYR 478 N 0.97 0.08 -0.77 3.45 3.20 -0.91 -3.26 116.97 119.73 1kkt h TYR 478 Ca 0.19 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.15 1kkt h TYR 478 Cb 0.44 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1kkt h TYR 478 CO 0.03 0.70 0.51 -0.07 -1.64 0.00 0.00 178.16 177.69 1kkt h LEU 479 N -0.56 0.54 -2.21 2.82 4.07 -0.82 0.26 115.31 119.41 1kkt h LEU 479 Ca -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1kkt h LEU 479 Cb 0.70 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1kkt h LEU 479 CO 0.01 0.30 -0.06 0.00 -1.08 0.00 0.00 178.44 177.61 1kkt h ALA 480 N 1.63 1.36 -0.00 1.53 0.00 -1.45 -2.99 119.26 119.33 1kkt h ALA 480 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1kkt h ALA 480 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1kkt h ALA 480 CO -0.14 0.07 -0.07 0.72 0.00 0.00 0.00 179.25 179.83 1kkt n HIS 481 N -3.68 0.00 -2.34 0.00 8.25 -0.27 -4.96 115.22 112.21 1kkt n HIS 481 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1kkt n HIS 481 Cb 0.16 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.34 1kkt n HIS 481 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kkt s SER 482 N -0.78 4.77 0.71 0.41 1.04 0.75 -4.48 113.70 116.13 1kkt s SER 482 Ca 0.03 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.56 1kkt s SER 482 Cb 0.03 -0.87 0.03 0.00 0.10 0.00 0.00 66.02 65.31 1kkt s SER 482 CO 0.09 -1.58 1.11 -1.83 0.98 0.00 0.00 173.24 172.00 1kkt s GLU 483 N -5.15 2.51 0.71 4.02 4.04 -1.26 -4.95 118.70 118.61 1kkt s GLU 483 Ca 0.61 1.32 -0.15 0.00 0.04 0.00 0.00 54.97 56.79 1kkt s GLU 483 Cb -0.10 -1.92 0.03 0.00 0.02 0.00 0.00 34.13 32.16 1kkt s GLU 483 CO 0.44 -1.47 1.18 0.34 -1.84 0.00 0.00 175.26 173.91 1kkt s ASP 484 N -2.88 4.45 -0.01 0.83 3.68 -1.26 -4.97 116.67 116.51 1kkt s ASP 484 Ca 0.65 2.28 -0.30 0.00 2.13 0.00 0.00 52.55 57.31 1kkt s ASP 484 Cb -0.20 -2.58 0.12 0.00 -1.45 0.00 0.00 42.92 38.81 1kkt s ASP 484 CO 0.48 -2.09 1.24 0.00 0.13 0.00 0.00 175.17 174.93 1kkt s ALA 485 N -2.04 -2.15 0.39 3.66 0.00 -1.26 -5.02 121.76 115.33 1kkt s ALA 485 Ca 0.73 0.70 0.11 0.00 0.00 0.00 0.00 51.96 53.49 1kkt s ALA 485 Cb -0.27 0.36 0.89 0.00 0.00 0.00 0.00 23.12 24.09 1kkt s ALA 485 CO 0.44 -1.01 1.92 0.00 0.00 0.00 0.00 175.76 177.11 1kkt h ALA 486 N 2.00 1.90 0.00 0.00 0.00 -1.99 -1.73 119.26 119.44 1kkt h ALA 486 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1kkt h ALA 486 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1kkt h ALA 486 CO 0.28 -0.08 0.00 -2.67 0.00 0.00 0.00 179.25 176.78 1kkt n TRP 487 N -4.50 0.00 -2.61 0.00 2.14 -1.26 -4.32 117.44 106.89 1kkt n TRP 487 Ca 0.14 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.36 1kkt n TRP 487 Cb 0.40 -0.35 -0.04 0.00 -0.81 0.00 0.00 31.31 30.51 1kkt n TRP 487 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1kkt s GLN 488 N -2.70 3.99 0.25 -2.67 -1.52 -0.65 -4.95 119.66 111.40 1kkt s GLN 488 Ca 0.19 1.34 -0.30 0.00 -1.95 0.00 0.00 55.36 54.64 1kkt s GLN 488 Cb 0.15 -2.22 -0.09 0.00 -0.22 0.00 0.00 33.01 30.63 1kkt s GLN 488 CO 0.37 -0.27 1.31 0.08 -0.25 0.00 0.00 175.29 176.53 1kkt s VAL 489 N -1.95 3.02 0.37 1.09 1.01 -1.26 -4.87 120.40 117.81 1kkt s VAL 489 Ca 0.64 0.91 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1kkt s VAL 489 Cb -0.16 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1kkt s VAL 489 CO 0.20 0.17 0.03 -1.10 0.00 0.00 0.00 175.10 174.39 1kkt s GLN 490 N -0.76 2.03 0.43 2.72 -1.52 -1.26 -4.93 119.66 116.37 1kkt s GLN 490 Ca 0.54 -1.90 -0.01 0.00 -1.95 0.00 0.00 55.36 52.04 1kkt s GLN 490 Cb -0.38 -1.82 -0.02 0.00 -0.22 0.00 0.00 33.01 30.58 1kkt s GLN 490 CO 0.43 0.03 0.66 0.15 -0.25 0.00 0.00 175.29 176.32 1kkt s LYS 491 N -3.73 3.27 6.51 2.91 1.02 -1.26 -4.70 119.74 123.75 1kkt s LYS 491 Ca 0.36 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1kkt s LYS 491 Cb 0.04 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1kkt s LYS 491 CO 0.19 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1kkt n GLY 492 N -2.04 3.22 1.70 -3.33 0.00 -1.13 -2.54 105.19 101.07 1kkt n GLY 492 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1kkt n GLY 492 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkt n GLY 493 N 0.00 4.29 0.50 -0.02 0.00 -1.26 -4.15 105.19 104.55 1kkt n GLY 493 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.06 1kkt n GLY 493 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kkt n LYS 494 N -0.75 1.69 -2.08 1.61 5.02 -1.05 -4.92 118.16 117.67 1kkt n LYS 494 Ca 0.42 -1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.29 1kkt n LYS 494 Cb 1.32 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.83 1kkt n LYS 494 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1kkt s ASN 495 N -1.95 6.73 0.00 4.39 -0.87 -1.26 -4.85 114.94 117.13 1kkt s ASN 495 Ca 0.37 2.37 0.11 0.00 -1.57 0.00 0.00 52.86 54.14 1kkt s ASN 495 Cb 0.21 -2.58 -0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1kkt s ASN 495 CO 0.33 -0.76 0.66 0.35 -2.57 0.00 0.00 177.10 175.11 1kkt n THR 496 N 4.30 0.00 -4.08 1.60 -2.24 -1.26 -4.92 114.28 107.68 1kkt n THR 496 Ca 0.13 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1kkt n THR 496 Cb 0.41 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 1kkt n THR 496 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1kkt s PHE 497 N -1.42 0.71 -0.02 4.78 0.40 -1.26 -1.95 117.98 119.22 1kkt s PHE 497 Ca 0.09 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1kkt s PHE 497 Cb 0.09 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 43.20 1kkt s PHE 497 CO 0.27 -0.07 -0.05 0.54 0.70 0.00 0.00 175.22 176.60 1kkt s VAL 498 N -1.34 0.52 0.03 -0.44 0.11 0.75 -4.89 120.40 115.14 1kkt s VAL 498 Ca -0.09 -0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 1kkt s VAL 498 Cb -0.10 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1kkt s VAL 498 CO 0.01 0.18 0.84 -0.31 -3.33 0.00 0.00 175.10 172.49 1kkt s TYR 499 N 0.35 3.71 1.01 1.54 1.51 -1.26 -0.14 117.35 124.06 1kkt s TYR 499 Ca -0.04 1.55 -0.17 0.00 -1.01 0.00 0.00 57.07 57.40 1kkt s TYR 499 Cb -0.08 -2.93 0.23 0.00 -0.11 0.00 0.00 41.96 39.07 1kkt s TYR 499 CO -0.00 0.17 1.31 0.27 -1.11 0.00 0.00 175.55 176.18 1kkt n ASN 500 N 3.20 -0.15 0.00 2.29 6.94 -0.47 -4.88 115.26 122.20 1kkt n ASN 500 Ca 0.01 -1.45 0.11 0.00 -0.02 0.00 0.00 54.58 53.22 1kkt n ASN 500 Cb 0.50 -1.02 0.57 0.00 -2.36 0.00 0.00 39.78 37.48 1kkt n ASN 500 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1kkt n THR 501 N -3.96 0.23 -0.96 5.53 5.66 -1.26 -1.95 114.28 117.58 1kkt n THR 501 Ca 0.17 0.06 0.08 0.00 -3.05 0.00 0.00 64.05 61.31 1kkt n THR 501 Cb 0.58 -0.71 0.27 0.00 -1.55 0.00 0.00 70.33 68.92 1kkt n THR 501 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1kkt n GLU 502 N -1.18 3.09 -2.26 1.09 4.07 -1.26 -4.95 120.64 119.24 1kkt n GLU 502 Ca 0.12 -2.85 -0.15 0.00 -0.06 0.00 0.00 57.16 54.22 1kkt n GLU 502 Cb 0.13 -1.86 -0.01 0.00 -0.06 0.00 0.00 31.44 29.64 1kkt n GLU 502 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kkt n ALA 503 N -0.37 -0.44 -2.54 4.31 0.00 -0.82 -4.37 120.51 116.28 1kkt n ALA 503 Ca 0.22 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1kkt n ALA 503 Cb 0.90 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1kkt n ALA 503 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1kkt s HIS 504 N -2.76 3.22 -0.11 0.00 3.76 -1.26 -4.83 115.29 113.31 1kkt s HIS 504 Ca 0.00 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1kkt s HIS 504 Cb 0.00 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1kkt s HIS 504 CO 0.00 -0.38 1.62 -2.14 -0.85 0.00 0.00 174.74 172.99 1kkt s PRO 505 N 1.84 4.06 -0.11 8.40 0.02 -1.26 -1.36 135.00 146.58 1kkt s PRO 505 Ca 0.08 2.00 -0.01 0.00 0.02 0.00 0.00 61.00 63.09 1kkt s PRO 505 Cb -0.17 -3.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.33 1kkt s PRO 505 CO 0.11 -0.98 -0.06 0.42 -0.33 0.00 0.00 177.00 176.15 1kkt s ILE 506 N 4.40 3.70 0.32 2.83 -1.09 0.80 -4.46 121.20 127.69 1kkt s ILE 506 Ca 0.72 -0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 58.40 1kkt s ILE 506 Cb -0.30 -2.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.91 1kkt s ILE 506 CO 0.28 0.54 1.27 -0.55 -1.23 0.00 0.00 174.94 175.26 1kkt s SER 507 N -0.14 6.87 0.70 3.58 0.15 -1.26 -0.18 113.70 123.42 1kkt s SER 507 Ca 0.02 2.60 -0.11 0.00 0.70 0.00 0.00 55.95 59.16 1kkt s SER 507 Cb -0.13 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1kkt s SER 507 CO 0.03 -0.46 1.07 0.68 1.20 0.00 0.00 173.24 175.75 1kkt s VAL 508 N -1.09 3.88 0.79 4.45 -7.23 -0.82 -4.85 120.40 115.52 1kkt s VAL 508 Ca 0.48 0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 61.14 1kkt s VAL 508 Cb -0.38 -3.31 0.07 0.00 0.56 0.00 0.00 36.38 33.32 1kkt s VAL 508 CO 0.50 -0.78 1.21 0.00 -0.31 0.00 0.00 175.10 175.72 1kkt s ALA 509 N -2.98 1.90 0.00 1.32 0.00 -0.39 -5.02 121.76 116.58 1kkt s ALA 509 Ca 0.59 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1kkt s ALA 509 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1kkt s ALA 509 CO 0.54 -2.20 0.00 0.54 0.00 0.00 0.00 175.76 174.64