#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 0.00 -0.72 6.43 2.35 -1.99 -2.77 115.58 118.88 1kkt h ASN 37 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1kkt h ASN 37 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1kkt h ASN 37 CO 0.00 0.49 0.46 -0.61 -1.65 0.00 0.00 177.43 176.13 1kkt h GLN 38 N 0.00 0.89 -0.20 0.81 5.75 -2.00 0.43 115.11 120.80 1kkt h GLN 38 Ca -0.00 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.28 1kkt h GLN 38 Cb 1.20 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1kkt h GLN 38 CO 0.06 0.59 -0.49 0.00 -2.65 0.00 0.00 178.83 176.34 1kkt h ALA 39 N 1.30 0.32 -0.63 3.38 0.00 -1.92 -2.50 119.26 119.21 1kkt h ALA 39 Ca 0.28 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1kkt h ALA 39 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1kkt h ALA 39 CO -0.10 0.49 0.25 0.87 0.00 0.00 0.00 179.25 180.77 1kkt h LYS 40 N 0.38 0.94 -0.10 0.00 1.57 -1.17 -1.40 116.57 116.79 1kkt h LYS 40 Ca -0.01 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1kkt h LYS 40 Cb 1.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1kkt h LYS 40 CO 0.11 0.79 0.06 0.00 -0.57 0.00 0.00 179.45 179.84 1kkt h ALA 41 N 1.10 0.13 0.00 3.86 0.00 -0.15 -1.74 119.26 122.46 1kkt h ALA 41 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1kkt h ALA 41 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kkt h ALA 41 CO -0.02 -0.36 -0.07 -0.44 0.00 0.00 0.00 179.25 178.36 1kkt h ASP 42 N 0.09 0.00 -0.38 0.00 3.32 -1.28 -1.40 116.42 116.77 1kkt h ASP 42 Ca 0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1kkt h ASP 42 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1kkt h ASP 42 CO -0.01 0.07 -0.22 0.00 -1.72 0.00 0.00 179.24 177.37 1kkt h ALA 43 N 1.93 0.79 -0.32 3.45 0.00 -0.38 -2.44 119.26 122.29 1kkt h ALA 43 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1kkt h ALA 43 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kkt h ALA 43 CO 0.01 0.65 -0.41 0.28 0.00 0.00 0.00 179.25 179.78 1kkt h VAL 44 N 0.76 1.29 -0.46 0.00 2.07 -0.73 -2.63 116.25 116.55 1kkt h VAL 44 Ca 0.10 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1kkt h VAL 44 Cb 0.76 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1kkt h VAL 44 CO 0.06 0.52 0.28 0.11 0.02 0.00 0.00 177.57 178.56 1kkt h LYS 45 N 0.63 0.62 -0.32 1.57 1.57 -1.20 -0.27 116.57 119.17 1kkt h LYS 45 Ca 0.05 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1kkt h LYS 45 Cb 0.97 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1kkt h LYS 45 CO 0.09 0.43 -0.24 1.49 -0.57 0.00 0.00 179.45 180.65 1kkt h GLU 46 N 0.63 0.73 -0.89 3.15 4.22 -1.22 0.25 114.58 121.44 1kkt h GLU 46 Ca 0.17 -0.36 0.02 0.00 0.08 0.00 0.00 59.36 59.27 1kkt h GLU 46 Cb -0.03 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1kkt h GLU 46 CO -0.03 0.97 0.59 0.00 -2.18 0.00 0.00 179.01 178.36 1kkt h ALA 47 N 0.74 1.15 -0.02 2.92 0.00 -0.95 0.37 119.26 123.49 1kkt h ALA 47 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kkt h ALA 47 Cb 0.80 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kkt h ALA 47 CO 0.06 0.49 0.00 0.35 0.00 0.00 0.00 179.25 180.16 1kkt h PHE 48 N 1.18 0.03 -0.85 0.00 3.57 -0.90 -2.49 116.94 117.48 1kkt h PHE 48 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1kkt h PHE 48 Cb -0.08 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1kkt h PHE 48 CO -0.01 0.30 0.55 0.37 -2.23 0.00 0.00 178.31 177.29 1kkt h GLN 49 N -0.25 1.03 -0.11 1.11 5.75 -0.52 -0.50 115.11 121.63 1kkt h GLN 49 Ca 0.00 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1kkt h GLN 49 Cb 0.29 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 1kkt h GLN 49 CO 0.00 0.68 -0.17 1.25 -2.65 0.00 0.00 178.83 177.94 1kkt h HIS 50 N 1.07 -0.45 -0.33 3.99 2.76 -0.13 0.38 115.15 122.45 1kkt h HIS 50 Ca 0.34 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.50 1kkt h HIS 50 Cb 0.00 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1kkt h HIS 50 CO -0.02 -0.25 0.10 0.00 -1.30 0.00 0.00 177.93 176.46 1kkt h ALA 51 N 0.79 0.43 -0.90 5.26 0.00 -1.04 -2.66 119.26 121.15 1kkt h ALA 51 Ca 0.09 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1kkt h ALA 51 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1kkt h ALA 51 CO -0.24 0.08 0.59 2.35 0.00 0.00 0.00 179.25 182.02 1kkt h TRP 52 N 0.38 1.08 -0.45 0.00 2.91 -0.73 0.07 115.95 119.21 1kkt h TRP 52 Ca 0.11 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1kkt h TRP 52 Cb 0.26 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 1kkt h TRP 52 CO 0.01 0.62 0.15 -0.91 -1.03 0.00 0.00 178.44 177.28 1kkt h ASN 53 N 1.12 0.65 -0.55 2.65 2.35 -0.72 0.12 115.58 121.19 1kkt h ASN 53 Ca 0.36 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1kkt h ASN 53 Cb 0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1kkt h ASN 53 CO -0.11 0.68 0.04 1.23 -1.65 0.00 0.00 177.43 177.62 1kkt h GLY 54 N 0.59 1.03 0.97 2.83 0.00 -1.09 -0.98 103.07 106.42 1kkt h GLY 54 Ca 0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1kkt h GLY 54 CO -0.01 0.67 -0.18 -1.82 0.00 0.00 0.00 176.54 175.20 1kkt h TYR 55 N 0.84 -0.47 -0.62 5.60 3.20 -0.74 -1.02 116.97 123.76 1kkt h TYR 55 Ca 0.16 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.10 1kkt h TYR 55 Cb 0.49 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1kkt h TYR 55 CO 0.04 -0.27 0.28 1.98 -1.64 0.00 0.00 178.16 178.54 1kkt h MET 56 N -0.55 0.48 -0.36 1.82 4.05 -0.70 0.25 114.93 119.92 1kkt h MET 56 Ca -0.05 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.21 1kkt h MET 56 Cb 0.42 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1kkt h MET 56 CO 0.09 0.32 -0.28 -0.22 0.23 0.00 0.00 176.91 177.05 1kkt h LYS 57 N 0.50 0.76 0.00 0.39 3.64 -1.02 -3.34 116.57 117.49 1kkt h LYS 57 Ca 0.30 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1kkt h LYS 57 Cb 0.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1kkt h LYS 57 CO -0.26 0.95 -0.82 0.66 -2.27 0.00 0.00 179.45 177.71 1kkt n TYR 58 N -4.09 0.00 0.00 1.91 4.02 -0.40 -4.89 117.16 113.71 1kkt n TYR 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1kkt n TYR 58 Cb 0.46 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 -1.45 1.67 -1.57 -0.72 0.00 0.73 -4.24 120.51 114.93 1kkt n ALA 59 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1kkt n ALA 59 Cb 0.13 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.51 1.27 -1.28 0.00 7.35 -0.43 0.63 117.46 123.49 1kkt n PHE 60 Ca 0.00 0.70 -0.25 0.00 -0.76 0.00 0.00 57.45 57.15 1kkt n PHE 60 Cb 0.32 -2.27 0.16 0.00 0.35 0.00 0.00 39.48 38.04 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 2.02 2.31 -1.13 -7.13 -0.04 -1.26 -5.00 135.00 124.77 1kkt n PRO 61 Ca 0.17 -3.09 -0.29 0.00 -0.04 0.00 0.00 63.50 60.25 1kkt n PRO 61 Cb 0.21 -2.17 0.16 0.00 -0.04 0.00 0.00 33.50 31.66 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 -3.40 2.13 0.26 0.54 3.76 0.20 -3.25 115.29 115.55 1kkt s HIS 62 Ca 0.57 1.14 -0.03 0.00 -0.15 0.00 0.00 55.06 56.60 1kkt s HIS 62 Cb 0.48 -3.21 0.39 0.00 1.11 0.00 0.00 32.58 31.36 1kkt s HIS 62 CO 0.08 -2.74 1.88 -0.44 -0.85 0.00 0.00 174.74 172.67 1kkt h ASP 63 N -1.80 1.04 -5.09 1.40 3.32 -1.76 -3.40 116.42 110.14 1kkt h ASP 63 Ca -0.53 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1kkt h ASP 63 Cb 1.31 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.54 1kkt h ASP 63 CO 0.55 0.67 0.02 -1.83 -1.72 0.00 0.00 179.24 176.93 1kkt s GLU 64 N -6.05 1.36 0.05 3.56 1.03 -0.36 -1.43 118.70 116.86 1kkt s GLU 64 Ca -0.12 -0.86 -0.16 0.00 0.03 0.00 0.00 54.97 53.86 1kkt s GLU 64 Cb 0.20 0.51 -0.06 0.00 -0.80 0.00 0.00 34.13 33.98 1kkt s GLU 64 CO 0.81 -0.57 0.48 -1.17 -1.33 0.00 0.00 175.26 173.48 1kkt s LEU 65 N -2.87 4.46 -0.55 1.83 2.96 -1.26 -1.06 118.68 122.19 1kkt s LEU 65 Ca 0.09 1.06 -0.13 0.00 -0.22 0.00 0.00 54.13 54.93 1kkt s LEU 65 Cb -0.01 -2.80 0.14 0.00 0.50 0.00 0.00 46.19 44.02 1kkt s LEU 65 CO -0.03 0.27 0.47 0.42 -1.32 0.00 0.00 176.35 176.16 1kkt s THR 66 N -1.16 4.87 0.31 3.68 -4.23 -0.82 -3.69 115.64 114.59 1kkt s THR 66 Ca 0.28 -1.73 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 1kkt s THR 66 Cb -0.17 -4.13 0.28 0.00 1.34 0.00 0.00 72.50 69.81 1kkt s THR 66 CO 0.16 -0.85 1.83 1.55 -0.54 0.00 0.00 174.62 176.77 1kkt h PRO 67 N 8.58 0.00 0.02 3.99 0.13 -1.84 0.11 132.00 143.00 1kkt h PRO 67 Ca -0.22 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.52 1kkt h PRO 67 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1kkt h PRO 67 CO 0.94 0.00 -2.39 0.28 -0.23 0.00 0.00 178.00 176.60 1kkt n VAL 68 N -2.60 1.54 1.12 1.56 0.31 -1.26 -4.41 118.33 114.59 1kkt n VAL 68 Ca -0.02 -0.57 0.13 0.00 -0.01 0.00 0.00 64.34 63.87 1kkt n VAL 68 Cb 0.21 -1.50 0.23 0.00 -0.91 0.00 0.00 33.84 31.87 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 -3.36 2.56 -3.72 4.52 3.41 -1.20 -4.97 113.62 110.86 1kkt n SER 69 Ca -0.44 -1.85 -0.22 0.00 -0.26 0.00 0.00 58.87 56.10 1kkt n SER 69 Cb 0.99 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.96 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 1.00 -1.15 0.00 4.04 3.02 0.35 -4.98 115.26 117.54 1kkt n ASN 70 Ca 0.16 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1kkt n ASN 70 Cb 0.53 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 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 -1.62 5.58 3.10 7.41 0.00 -0.97 -4.89 105.19 113.80 1kkt n GLY 71 Ca -0.30 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 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 1.76 0.57 0.11 1.61 -3.43 -1.26 -1.95 115.29 112.69 1kkt s HIS 72 Ca 0.00 -1.07 -0.10 0.00 -0.80 0.00 0.00 55.06 53.09 1kkt s HIS 72 Cb 0.00 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 1kkt s HIS 72 CO 0.00 -0.37 0.24 0.00 -2.00 0.00 0.00 174.74 172.61 1kkt s ALA 73 N -3.91 -0.27 -0.47 -1.38 0.00 -0.23 -4.80 121.76 110.70 1kkt s ALA 73 Ca 0.09 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1kkt s ALA 73 Cb 0.08 0.60 0.19 0.00 0.00 0.00 0.00 23.12 23.98 1kkt s ALA 73 CO -0.09 -0.56 0.42 -0.25 0.00 0.00 0.00 175.76 175.28 1kkt n ASP 74 N -0.12 0.49 -0.41 0.00 8.00 -1.26 -1.22 116.55 122.03 1kkt n ASP 74 Ca -0.13 -2.64 0.14 0.00 0.71 0.00 0.00 54.79 52.87 1kkt n ASP 74 Cb 0.63 -0.61 0.46 0.00 -0.02 0.00 0.00 41.12 41.58 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 2.33 1.36 -2.44 -2.24 3.41 -1.26 -4.26 113.62 110.53 1kkt n SER 75 Ca 0.27 -1.29 -0.24 0.00 -0.26 0.00 0.00 58.87 57.35 1kkt n SER 75 Cb 0.46 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.10 3.17 -0.90 4.33 5.12 -1.26 -4.95 116.66 122.07 1kkt n ARG 76 Ca 0.16 -4.30 0.00 0.00 -1.93 0.00 0.00 57.85 51.79 1kkt n ARG 76 Cb 0.36 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 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 -0.47 -3.02 0.00 0.55 4.13 -1.26 -4.06 115.26 111.13 1kkt n ASN 77 Ca 0.36 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1kkt n ASN 77 Cb 0.73 -1.93 0.00 0.00 -1.54 0.00 0.00 39.78 37.04 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 -1.18 1.62 1.43 7.41 0.00 -1.26 -4.62 105.19 108.60 1kkt n GLY 78 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1kkt n GLY 78 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1kkt n TRP 79 N -2.00 1.34 -1.70 1.61 2.14 -1.26 -4.63 117.44 112.95 1kkt n TRP 79 Ca 0.00 -0.79 -0.01 0.00 2.07 0.00 0.00 57.50 58.76 1kkt n TRP 79 Cb 0.00 -0.47 0.01 0.00 -0.81 0.00 0.00 31.31 30.04 1kkt n TRP 79 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1kkt n GLY 80 N -0.02 0.53 0.34 -1.67 0.00 -1.20 -4.89 105.19 98.28 1kkt n GLY 80 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.20 -0.47 4.61 0.00 -1.78 -2.24 119.26 120.59 1kkt h ALA 81 Ca -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1kkt h ALA 81 Cb 1.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1kkt h ALA 81 CO 0.05 0.40 -0.08 0.77 0.00 0.00 0.00 179.25 180.40 1kkt h SER 82 N 1.10 0.81 -0.02 0.00 0.02 -1.49 0.12 113.55 114.09 1kkt h SER 82 Ca 0.37 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1kkt h SER 82 Cb 0.06 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1kkt h SER 82 CO -0.14 0.92 0.00 0.00 -1.14 0.00 0.00 176.83 176.48 1kkt h ALA 83 N 1.16 0.02 -0.30 3.77 0.00 -1.75 -2.08 119.26 120.08 1kkt h ALA 83 Ca 0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1kkt h ALA 83 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1kkt h ALA 83 CO 0.03 -0.32 -0.28 0.28 0.00 0.00 0.00 179.25 178.97 1kkt h VAL 84 N -0.27 1.28 0.00 0.00 2.07 -1.32 -2.67 116.25 115.33 1kkt h VAL 84 Ca 0.00 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1kkt h VAL 84 Cb 0.31 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1kkt h VAL 84 CO 0.00 0.44 -0.12 -0.78 0.02 0.00 0.00 177.57 177.13 1kkt h ASP 85 N 0.53 0.00 1.08 0.57 3.58 -0.76 -3.09 116.42 118.33 1kkt h ASP 85 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1kkt h ASP 85 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1kkt h ASP 85 CO 0.06 0.12 -0.87 0.00 -2.88 0.00 0.00 179.24 175.68 1kkt h ALA 86 N 1.88 0.56 -0.09 -0.78 0.00 -1.12 -3.21 119.26 116.49 1kkt h ALA 86 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1kkt h ALA 86 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1kkt h ALA 86 CO 0.02 0.00 -0.45 1.25 0.00 0.00 0.00 179.25 180.06 1kkt h LEU 87 N 0.00 -1.41 -1.17 0.00 6.46 -1.40 0.13 115.31 117.93 1kkt h LEU 87 Ca 0.00 0.18 0.27 0.00 -0.12 0.00 0.00 57.88 58.21 1kkt h LEU 87 Cb 0.97 0.56 -0.12 0.00 -0.73 0.00 0.00 40.66 41.35 1kkt h LEU 87 CO 0.00 -0.45 0.64 -1.28 -0.62 0.00 0.00 178.44 176.72 1kkt h SER 88 N -0.54 0.55 0.34 1.25 0.87 -1.77 -0.36 113.55 113.88 1kkt h SER 88 Ca 0.06 0.12 -0.33 0.00 -1.23 0.00 0.00 61.79 60.41 1kkt h SER 88 Cb 0.65 0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1kkt h SER 88 CO -0.39 0.05 -1.54 0.74 -0.53 0.00 0.00 176.83 175.17 1kkt h THR 89 N 0.45 1.18 -0.54 2.23 2.02 -1.53 -3.08 112.91 113.64 1kkt h THR 89 Ca 0.65 -2.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.08 1kkt h THR 89 Cb 1.47 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 70.74 1kkt h THR 89 CO -0.42 0.84 0.24 0.00 0.37 0.00 0.00 175.52 176.55 1kkt h ALA 90 N 0.28 1.41 0.13 6.16 0.00 0.24 -1.47 119.26 126.01 1kkt h ALA 90 Ca -0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1kkt h ALA 90 Cb 2.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1kkt h ALA 90 CO 0.21 0.46 -0.06 0.28 0.00 0.00 0.00 179.25 180.14 1kkt h VAL 91 N 0.77 1.01 -0.39 0.00 2.07 -1.19 0.41 116.25 118.93 1kkt h VAL 91 Ca 0.19 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1kkt h VAL 91 Cb 0.11 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1kkt h VAL 91 CO -0.02 0.14 0.26 0.40 0.02 0.00 0.00 177.57 178.36 1kkt h ILE 92 N -0.45 1.07 -0.00 4.57 2.04 -1.41 0.02 117.51 123.35 1kkt h ILE 92 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1kkt h ILE 92 Cb 0.36 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1kkt h ILE 92 CO 0.03 0.09 -0.07 0.23 0.00 0.00 0.00 178.15 178.43 1kkt n MET 93 N -4.48 0.37 -2.25 2.37 2.81 -0.58 -4.92 117.12 110.43 1kkt n MET 93 Ca 0.03 -0.06 -0.06 0.00 -1.81 0.00 0.00 57.70 55.80 1kkt n MET 93 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.35 0.21 3.36 3.03 0.00 -0.01 -4.98 105.19 108.15 1kkt n GLY 94 Ca 0.12 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.51 4.05 0.32 1.61 1.02 0.08 -4.87 119.74 117.44 1kkt s LYS 95 Ca 0.03 -2.92 0.03 0.00 0.02 0.00 0.00 55.97 53.14 1kkt s LYS 95 Cb -0.01 -4.63 0.62 0.00 -0.52 0.00 0.00 37.83 33.28 1kkt s LYS 95 CO 0.04 -1.36 1.90 0.00 -0.92 0.00 0.00 175.35 175.01 1kkt h ALA 96 N 7.04 1.60 -0.28 5.17 0.00 -1.87 -1.17 119.26 129.75 1kkt h ALA 96 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kkt h ALA 96 Cb 0.91 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1kkt h ALA 96 CO 1.01 0.23 0.18 0.38 0.00 0.00 0.00 179.25 181.05 1kkt h ASP 97 N 0.92 0.30 -0.47 0.00 2.03 -1.93 0.60 116.42 117.87 1kkt h ASP 97 Ca 0.40 -0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.57 1kkt h ASP 97 Cb 0.33 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 1kkt h ASP 97 CO -0.16 0.22 -0.20 0.58 -1.03 0.00 0.00 179.24 178.64 1kkt h VAL 98 N 0.36 1.27 -0.50 4.15 2.07 -1.85 -2.01 116.25 119.75 1kkt h VAL 98 Ca 0.11 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1kkt h VAL 98 Cb -0.02 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1kkt h VAL 98 CO -0.04 0.47 0.26 0.58 0.02 0.00 0.00 177.57 178.86 1kkt h VAL 99 N 0.81 0.98 0.30 2.57 2.07 -0.84 -1.44 116.25 120.69 1kkt h VAL 99 Ca 0.11 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1kkt h VAL 99 Cb 0.78 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1kkt h VAL 99 CO 0.06 0.09 -0.14 0.78 0.02 0.00 0.00 177.57 178.39 1kkt h ASN 100 N 0.51 -0.34 -0.96 0.57 2.35 -0.77 0.10 115.58 117.05 1kkt h ASN 100 Ca 0.21 -0.07 0.23 0.00 -0.55 0.00 0.00 56.30 56.12 1kkt h ASN 100 Cb 0.10 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 1kkt h ASN 100 CO -0.14 -0.14 0.63 0.00 -1.65 0.00 0.00 177.43 176.13 1kkt h ALA 101 N 0.15 2.25 0.11 -0.83 0.00 -1.15 0.29 119.26 120.09 1kkt h ALA 101 Ca -0.04 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1kkt h ALA 101 Cb 0.38 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1kkt h ALA 101 CO 0.07 -0.58 -1.15 0.82 0.00 0.00 0.00 179.25 178.41 1kkt h ILE 102 N 0.39 1.31 -0.88 0.00 2.04 -0.92 -3.09 117.51 116.35 1kkt h ILE 102 Ca 0.51 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1kkt h ILE 102 Cb 1.32 2.73 -0.04 0.00 -0.74 0.00 0.00 36.82 40.08 1kkt h ILE 102 CO -0.20 0.73 0.50 -0.07 0.00 0.00 0.00 178.15 179.10 1kkt h LEU 103 N 0.18 1.09 0.49 1.44 3.38 0.15 -1.15 115.31 120.90 1kkt h LEU 103 Ca -0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1kkt h LEU 103 Cb 1.84 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1kkt h LEU 103 CO 0.22 0.86 -0.41 -0.33 0.09 0.00 0.00 178.44 178.87 1kkt h GLU 104 N 1.23 -0.85 -0.83 1.13 4.39 -0.59 -2.77 114.58 116.28 1kkt h GLU 104 Ca 0.31 0.06 0.13 0.00 0.34 0.00 0.00 59.36 60.20 1kkt h GLU 104 Cb 0.01 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 1kkt h GLU 104 CO -0.05 -0.57 0.44 1.25 -1.16 0.00 0.00 179.01 178.92 1kkt h HIS 105 N -0.88 0.78 0.00 4.33 2.76 -1.43 0.16 115.15 120.86 1kkt h HIS 105 Ca -0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1kkt h HIS 105 Cb 0.75 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1kkt h HIS 105 CO -0.17 0.23 0.00 1.55 -1.30 0.00 0.00 177.93 178.24 1kkt n VAL 106 N -4.84 0.93 0.21 5.26 3.14 -0.45 -0.87 118.33 121.71 1kkt n VAL 106 Ca 0.16 0.53 0.12 0.00 -2.96 0.00 0.00 64.34 62.18 1kkt n VAL 106 Cb 0.38 -1.50 0.09 0.00 -1.06 0.00 0.00 33.84 31.74 1kkt n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kkt h ALA 107 N 2.11 0.68 -0.57 1.55 0.00 -0.41 -3.31 119.26 119.31 1kkt h ALA 107 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1kkt h ALA 107 Cb 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 1kkt h ALA 107 CO 0.00 0.00 0.18 -0.25 0.00 0.00 0.00 179.25 179.18 1kkt n ASP 108 N -2.73 3.60 -4.73 0.00 10.43 -0.05 -4.99 116.55 118.09 1kkt n ASP 108 Ca 0.02 -3.47 -0.35 0.00 2.57 0.00 0.00 54.79 53.56 1kkt n ASP 108 Cb 0.53 -0.69 -0.08 0.00 1.84 0.00 0.00 41.12 42.71 1kkt n ASP 108 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1kkt s ILE 109 N -3.12 4.94 -0.74 0.53 1.01 -1.18 -5.05 121.20 117.58 1kkt s ILE 109 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 1kkt s ILE 109 Cb 0.42 -3.17 0.19 0.00 0.01 0.00 0.00 42.46 39.91 1kkt s ILE 109 CO 0.07 0.54 0.60 -0.62 0.00 0.00 0.00 174.94 175.53 1kkt s ASP 110 N -0.35 5.74 0.00 3.58 3.68 -1.26 -4.93 116.67 123.13 1kkt s ASP 110 Ca 0.09 -3.06 0.01 0.00 2.13 0.00 0.00 52.55 51.72 1kkt s ASP 110 Cb -0.12 -1.94 0.03 0.00 -1.45 0.00 0.00 42.92 39.44 1kkt s ASP 110 CO 0.02 -0.36 0.23 0.49 0.13 0.00 0.00 175.17 175.68 1kkt n PHE 111 N 3.27 0.00 0.27 -5.34 3.01 -1.26 -1.43 117.46 115.98 1kkt n PHE 111 Ca 0.13 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.65 1kkt n PHE 111 Cb 0.39 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.77 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 -0.55 1.31 -4.34 4.37 3.41 -1.26 -4.92 113.62 111.65 1kkt n SER 112 Ca 0.00 -0.35 -0.37 0.00 -0.26 0.00 0.00 58.87 57.90 1kkt n SER 112 Cb 0.00 1.37 -0.13 0.00 -0.26 0.00 0.00 64.21 65.19 1kkt n SER 112 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1kkt s LYS 113 N -2.67 3.16 -0.18 4.33 2.20 -0.51 -4.73 119.74 121.33 1kkt s LYS 113 Ca -0.01 -0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 1kkt s LYS 113 Cb 0.09 -3.29 0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1kkt s LYS 113 CO 0.57 -0.38 0.49 -0.08 -0.36 0.00 0.00 175.35 175.58 1kkt s THR 114 N 1.49 -0.00 -1.08 3.43 -1.32 -1.26 -4.91 115.64 112.00 1kkt s THR 114 Ca 0.03 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.80 1kkt s THR 114 Cb -0.17 -0.68 0.27 0.00 -1.51 0.00 0.00 72.50 70.41 1kkt s THR 114 CO 0.01 0.00 1.90 -1.20 -2.21 0.00 0.00 174.62 173.13 1kkt n SER 115 N 2.89 0.05 -4.53 8.08 7.64 -1.26 -4.88 113.62 121.61 1kkt n SER 115 Ca -0.14 0.32 -0.25 0.00 1.01 0.00 0.00 58.87 59.82 1kkt n SER 115 Cb 0.57 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.26 1kkt n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1kkt s ASP 116 N -2.93 3.25 0.76 6.43 1.01 -1.26 -5.13 116.67 118.79 1kkt s ASP 116 Ca 0.16 -1.33 -0.11 0.00 0.71 0.00 0.00 52.55 51.98 1kkt s ASP 116 Cb 0.19 -0.27 0.05 0.00 1.01 0.00 0.00 42.92 43.90 1kkt s ASP 116 CO 0.53 -0.46 1.09 0.28 0.21 0.00 0.00 175.17 176.82 1kkt s THR 117 N -2.92 3.40 -0.04 -1.27 -1.32 -1.26 -4.89 115.64 107.34 1kkt s THR 117 Ca 0.34 0.47 0.07 0.00 -1.21 0.00 0.00 61.69 61.36 1kkt s THR 117 Cb 0.08 -2.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.07 1kkt s THR 117 CO 0.16 -0.58 -0.24 0.68 -2.21 0.00 0.00 174.62 172.43 1kkt s VAL 118 N -2.88 1.89 -0.25 5.08 -7.23 0.11 -4.83 120.40 112.29 1kkt s VAL 118 Ca 0.61 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1kkt s VAL 118 Cb -0.17 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1kkt s VAL 118 CO 0.55 0.53 0.60 -0.55 -0.31 0.00 0.00 175.10 175.92 1kkt s SER 119 N -0.35 6.55 0.23 4.85 0.15 -1.26 -1.18 113.70 122.71 1kkt s SER 119 Ca 0.03 0.67 -0.06 0.00 0.70 0.00 0.00 55.95 57.29 1kkt s SER 119 Cb -0.11 -2.32 0.30 0.00 -1.71 0.00 0.00 66.02 62.17 1kkt s SER 119 CO 0.01 -0.34 1.86 0.25 1.20 0.00 0.00 173.24 176.22 1kkt h LEU 120 N 8.83 0.84 0.56 3.45 5.85 -0.33 -1.32 115.31 133.19 1kkt h LEU 120 Ca -0.28 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1kkt h LEU 120 Cb 1.13 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.00 1kkt h LEU 120 CO 0.76 0.55 -0.27 0.15 -0.34 0.00 0.00 178.44 179.29 1kkt h PHE 121 N 0.98 -0.70 -0.74 1.25 3.04 -1.83 -1.01 116.94 117.93 1kkt h PHE 121 Ca 0.35 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.39 1kkt h PHE 121 Cb 0.11 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1kkt h PHE 121 CO -0.03 -0.44 0.48 0.93 -2.02 0.00 0.00 178.31 177.24 1kkt h GLU 122 N -0.82 0.58 0.00 1.11 4.39 -1.95 0.13 114.58 118.02 1kkt h GLU 122 Ca -0.08 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1kkt h GLU 122 Cb 0.58 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1kkt h GLU 122 CO 0.13 0.38 -0.65 1.15 -1.16 0.00 0.00 179.01 178.86 1kkt h THR 123 N 0.60 1.36 0.05 1.13 2.02 -1.23 -2.60 112.91 114.23 1kkt h THR 123 Ca 0.34 -2.30 -0.10 0.00 0.77 0.00 0.00 66.41 65.13 1kkt h THR 123 Cb 0.53 2.27 0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1kkt h THR 123 CO -0.12 0.63 -0.40 0.74 0.37 0.00 0.00 175.52 176.74 1kkt h THR 124 N 0.00 1.60 0.00 3.16 2.02 0.32 -1.81 112.91 118.20 1kkt h THR 124 Ca -0.01 -2.27 -0.05 0.00 0.77 0.00 0.00 66.41 64.85 1kkt h THR 124 Cb 1.22 3.08 -0.01 0.00 -1.74 0.00 0.00 68.15 70.70 1kkt h THR 124 CO 0.08 0.62 -0.26 0.16 0.37 0.00 0.00 175.52 176.50 1kkt h ILE 125 N -0.56 0.56 0.00 3.11 3.07 -1.12 -1.37 117.51 121.20 1kkt h ILE 125 Ca -0.06 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.04 1kkt h ILE 125 Cb 1.25 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 1kkt h ILE 125 CO 0.08 0.25 -0.76 0.54 -1.05 0.00 0.00 178.15 177.21 1kkt n ARG 126 N -3.34 0.40 0.03 0.16 1.74 -0.98 -4.44 116.66 110.24 1kkt n ARG 126 Ca 0.01 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.13 1kkt n ARG 126 Cb 0.49 -1.20 -0.09 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.76 -0.13 0.66 -1.55 -1.99 -1.63 -1.35 116.97 110.23 1kkt h TYR 127 Ca 0.00 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1kkt h TYR 127 Cb 0.76 0.04 0.01 0.00 2.00 0.00 0.00 36.73 39.54 1kkt h TYR 127 CO -0.33 0.36 -0.32 1.25 -0.00 0.00 0.00 178.16 179.13 1kkt h LEU 128 N -0.72 -0.75 -1.61 3.88 6.46 -1.29 -2.60 115.31 118.67 1kkt h LEU 128 Ca -0.01 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1kkt h LEU 128 Cb 0.55 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1kkt h LEU 128 CO 0.02 -0.52 0.35 0.00 -0.62 0.00 0.00 178.44 177.68 1kkt h ALA 129 N -1.54 1.88 -0.39 1.25 0.00 -1.42 -2.28 119.26 116.75 1kkt h ALA 129 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1kkt h ALA 129 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1kkt h ALA 129 CO 0.15 0.04 0.25 0.78 0.00 0.00 0.00 179.25 180.47 1kkt h GLY 130 N 0.49 0.54 0.89 0.00 0.00 -1.12 0.58 103.07 104.45 1kkt h GLY 130 Ca 0.23 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1kkt h GLY 130 CO -0.06 0.19 -0.61 -0.33 0.00 0.00 0.00 176.54 175.72 1kkt h MET 131 N 0.51 0.51 -0.72 4.80 2.86 -1.17 -2.40 114.93 119.32 1kkt h MET 131 Ca 0.14 -0.48 0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1kkt h MET 131 Cb -0.04 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1kkt h MET 131 CO -0.04 1.11 0.41 -0.07 1.06 0.00 0.00 176.91 179.38 1kkt h LEU 132 N 0.08 0.61 -0.40 1.22 4.07 -1.35 0.85 115.31 120.39 1kkt h LEU 132 Ca -0.06 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1kkt h LEU 132 Cb 1.28 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 1kkt h LEU 132 CO 0.12 0.38 0.21 -1.28 -1.08 0.00 0.00 178.44 176.79 1kkt h SER 133 N 0.74 0.50 -0.90 -0.43 0.87 -0.89 0.22 113.55 113.66 1kkt h SER 133 Ca 0.32 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1kkt h SER 133 Cb 0.21 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 1kkt h SER 133 CO -0.19 0.46 0.59 1.23 -0.53 0.00 0.00 176.83 178.39 1kkt h GLY 134 N 0.51 1.31 0.80 5.77 0.00 -0.74 -0.66 103.07 110.06 1kkt h GLY 134 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1kkt h GLY 134 CO -0.02 0.36 -0.36 -1.82 0.00 0.00 0.00 176.54 174.70 1kkt h TYR 135 N 1.10 -0.94 -1.00 5.60 5.03 -0.04 0.09 116.97 126.82 1kkt h TYR 135 Ca 0.37 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.81 1kkt h TYR 135 Cb 0.08 0.31 -0.09 0.00 1.55 0.00 0.00 36.73 38.57 1kkt h TYR 135 CO -0.00 -0.57 0.62 -0.44 -1.32 0.00 0.00 178.16 176.45 1kkt h ASP 136 N -1.22 0.85 0.64 -2.11 3.32 -0.79 0.24 116.42 117.34 1kkt h ASP 136 Ca -0.10 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1kkt h ASP 136 Cb 0.79 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.25 1kkt h ASP 136 CO 0.17 0.38 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.69 1kkt h LEU 137 N 0.87 -0.72 -2.65 1.55 -0.00 -1.04 -2.12 115.31 111.19 1kkt h LEU 137 Ca 0.54 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.44 1kkt h LEU 137 Cb 0.70 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1kkt h LEU 137 CO -0.32 -0.39 -0.01 -0.07 -0.00 0.00 0.00 178.44 177.65 1kkt h LEU 138 N -1.10 0.00 0.00 1.67 3.38 -0.67 -1.09 115.31 117.49 1kkt h LEU 138 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1kkt h LEU 138 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1kkt h LEU 138 CO 0.14 0.01 -0.86 -0.61 0.09 0.00 0.00 178.44 177.21 1kkt h GLN 139 N 0.00 0.00 0.00 1.13 5.75 -0.52 -3.28 115.11 118.19 1kkt h GLN 139 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1kkt h GLN 139 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1kkt h GLN 139 CO 0.00 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.59 1kkt n GLY 140 N 1.18 1.09 0.38 2.39 0.00 -0.62 -4.76 105.19 104.86 1kkt n GLY 140 Ca 0.01 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 0.39 -0.69 1.61 0.13 -1.76 -1.44 132.00 130.24 1kkt h PRO 141 Ca 0.00 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.78 1kkt h PRO 141 Cb 0.00 -0.09 -0.19 0.00 0.13 0.00 0.00 31.00 30.85 1kkt h PRO 141 CO 0.00 0.26 0.30 0.00 -0.23 0.00 0.00 178.00 178.32 1kkt n ALA 142 N -2.53 4.85 -0.31 -0.56 0.00 -0.51 -4.70 120.51 116.75 1kkt n ALA 142 Ca 0.15 -2.88 0.11 0.00 0.00 0.00 0.00 53.44 50.81 1kkt n ALA 142 Cb 0.55 -1.12 0.28 0.00 0.00 0.00 0.00 19.45 19.15 1kkt n ALA 142 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kkt h LYS 143 N 1.28 0.58 -3.78 0.00 3.64 -1.32 -3.22 116.57 113.75 1kkt h LYS 143 Ca 0.40 -0.03 -0.77 0.00 -1.27 0.00 0.00 60.65 58.97 1kkt h LYS 143 Cb 2.28 -0.13 -0.22 0.00 -0.41 0.00 0.00 32.23 33.75 1kkt h LYS 143 CO 0.75 0.38 1.16 0.09 -2.27 0.00 0.00 179.45 179.56 1kkt n ASN 144 N -4.89 5.52 0.00 4.20 3.02 -1.26 -4.34 115.26 117.50 1kkt n ASN 144 Ca 0.20 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 1kkt n ASN 144 Cb 0.54 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1kkt n ASN 144 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1kkt n LEU 145 N 3.57 0.00 -4.33 3.41 7.94 -1.22 -5.11 117.00 121.26 1kkt n LEU 145 Ca 0.32 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.90 1kkt n LEU 145 Cb 0.38 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.18 1kkt n LEU 145 CO 0.65 0.00 -0.54 -0.69 -1.11 0.00 0.00 177.39 175.70 1kkt s VAL 146 N -1.00 2.29 -0.02 1.96 1.01 -1.26 -4.80 120.40 118.58 1kkt s VAL 146 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1kkt s VAL 146 Cb 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 1kkt s VAL 146 CO 0.00 0.58 0.11 0.44 0.00 0.00 0.00 175.10 176.23 1kkt h ASP 147 N 5.68 -0.02 -1.72 3.32 3.32 -1.99 -3.45 116.42 121.55 1kkt h ASP 147 Ca -0.40 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 55.96 1kkt h ASP 147 Cb 1.15 0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.72 1kkt h ASP 147 CO 0.48 0.08 0.97 -3.20 -1.72 0.00 0.00 179.24 175.84 1kkt n ASN 148 N -2.61 2.76 0.00 6.45 2.85 -1.26 -4.86 115.26 118.59 1kkt n ASN 148 Ca -0.00 1.04 -0.10 0.00 -0.11 0.00 0.00 54.58 55.41 1kkt n ASN 148 Cb 0.01 -1.22 -0.14 0.00 1.24 0.00 0.00 39.78 39.67 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 7.88 0.04 -0.78 1.20 5.75 -2.01 -3.36 115.11 123.84 1kkt h GLN 149 Ca -0.47 -0.08 0.14 0.00 -0.15 0.00 0.00 58.65 58.09 1kkt h GLN 149 Cb 1.30 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.79 1kkt h GLN 149 CO 0.95 0.70 0.34 -0.44 -2.65 0.00 0.00 178.83 177.73 1kkt h ASP 150 N 0.01 0.36 0.41 -0.69 3.45 -1.99 -1.78 116.42 116.19 1kkt h ASP 150 Ca -0.24 0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.30 1kkt h ASP 150 Cb 1.97 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.81 1kkt h ASP 150 CO 0.10 0.14 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.64 1kkt h LEU 151 N 0.50 -0.47 -1.30 1.55 3.38 -1.95 0.13 115.31 117.14 1kkt h LEU 151 Ca 0.42 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.66 1kkt h LEU 151 Cb 0.62 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1kkt h LEU 151 CO -0.38 -0.32 0.65 0.40 0.09 0.00 0.00 178.44 178.87 1kkt h ILE 152 N -0.57 0.55 0.00 1.22 2.04 -1.50 0.70 117.51 119.95 1kkt h ILE 152 Ca -0.06 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1kkt h ILE 152 Cb 0.43 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1kkt h ILE 152 CO 0.09 0.08 -0.44 0.44 0.00 0.00 0.00 178.15 178.33 1kkt h ASP 153 N 0.45 0.00 -0.24 1.72 3.32 -0.92 -3.23 116.42 117.52 1kkt h ASP 153 Ca 0.59 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.62 1kkt h ASP 153 Cb 1.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 1kkt h ASP 153 CO -0.32 0.15 0.08 1.23 -1.72 0.00 0.00 179.24 178.66 1kkt h GLY 154 N 3.87 0.49 0.74 2.75 0.00 0.32 -2.13 103.07 109.10 1kkt h GLY 154 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1kkt h GLY 154 CO 0.02 0.23 0.02 1.41 0.00 0.00 0.00 176.54 178.21 1kkt h LEU 155 N 0.45 -0.04 -0.88 3.11 3.38 -1.48 0.30 115.31 120.16 1kkt h LEU 155 Ca 0.11 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1kkt h LEU 155 Cb 0.17 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1kkt h LEU 155 CO -0.00 0.01 -0.11 0.25 0.09 0.00 0.00 178.44 178.68 1kkt h LEU 156 N 0.09 0.70 0.25 1.67 5.85 -1.63 0.15 115.31 122.39 1kkt h LEU 156 Ca 0.09 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1kkt h LEU 156 Cb 0.10 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1kkt h LEU 156 CO -0.14 0.84 -0.12 0.44 -0.34 0.00 0.00 178.44 179.12 1kkt h ASP 157 N 0.65 -0.29 -0.75 1.25 3.45 -0.87 -2.59 116.42 117.27 1kkt h ASP 157 Ca 0.11 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.41 1kkt h ASP 157 Cb 0.56 0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.37 1kkt h ASP 157 CO 0.03 0.01 0.47 1.56 -1.57 0.00 0.00 179.24 179.75 1kkt h GLN 158 N -0.61 1.01 -0.82 3.56 1.08 -0.31 -1.52 115.11 117.50 1kkt h GLN 158 Ca -0.03 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1kkt h GLN 158 Cb 0.44 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 1kkt h GLN 158 CO 0.06 0.70 0.54 0.77 -0.95 0.00 0.00 178.83 179.94 1kkt h SER 159 N 1.04 0.88 -0.08 1.46 0.02 -0.62 -1.15 113.55 115.10 1kkt h SER 159 Ca 0.27 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 1kkt h SER 159 Cb -0.07 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.27 1kkt h SER 159 CO -0.05 0.61 -0.58 -0.09 -1.14 0.00 0.00 176.83 175.58 1kkt h ARG 160 N 1.03 0.53 -1.00 3.45 2.43 -0.95 -2.65 114.38 117.22 1kkt h ARG 160 Ca 0.32 -0.46 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1kkt h ARG 160 Cb 0.01 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1kkt h ARG 160 CO -0.09 1.09 0.64 -0.91 -1.51 0.00 0.00 179.97 179.20 1kkt h ASN 161 N 0.11 1.01 -0.14 -3.80 2.35 -0.87 -1.15 115.58 113.09 1kkt h ASN 161 Ca -0.05 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1kkt h ASN 161 Cb 1.24 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1kkt h ASN 161 CO 0.12 0.63 0.01 0.25 -1.65 0.00 0.00 177.43 176.79 1kkt h LEU 162 N 1.14 0.24 -1.88 1.61 5.85 -1.23 -2.60 115.31 118.44 1kkt h LEU 162 Ca 0.44 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1kkt h LEU 162 Cb 0.22 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1kkt h LEU 162 CO -0.19 0.47 -0.11 0.00 -0.34 0.00 0.00 178.44 178.27 1kkt h ALA 163 N 0.78 1.67 0.01 1.25 0.00 -1.06 -2.54 119.26 119.36 1kkt h ALA 163 Ca 0.04 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1kkt h ALA 163 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kkt h ALA 163 CO 0.01 0.13 -0.91 -0.44 0.00 0.00 0.00 179.25 178.04 1kkt h ASP 164 N 0.00 0.36 0.92 0.00 3.45 -1.07 0.12 116.42 120.21 1kkt h ASP 164 Ca -0.00 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1kkt h ASP 164 Cb 0.21 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1kkt h ASP 164 CO 0.01 1.10 -0.04 1.33 -1.57 0.00 0.00 179.24 180.07 1kkt n VAL 165 N -3.68 0.00 -0.06 -1.35 0.24 -0.99 -3.83 118.33 108.66 1kkt n VAL 165 Ca -0.05 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.19 1kkt n VAL 165 Cb 0.82 -0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 1kkt n VAL 165 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1kkt n LEU 166 N -1.48 0.39 -0.34 1.34 4.77 -1.00 -4.69 117.00 116.00 1kkt n LEU 166 Ca 0.07 -0.01 0.33 0.00 -0.03 0.00 0.00 56.01 56.37 1kkt n LEU 166 Cb 0.33 0.18 0.69 0.00 -2.33 0.00 0.00 43.42 42.29 1kkt n LEU 166 CO 0.27 0.34 1.30 0.07 -1.33 0.00 0.00 177.39 178.04 1kkt h LYS 167 N 0.00 0.10 0.00 3.23 2.10 -0.85 0.16 116.57 121.31 1kkt h LYS 167 Ca -0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1kkt h LYS 167 Cb 1.68 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1kkt h LYS 167 CO 0.01 0.07 0.19 0.27 -2.00 0.00 0.00 179.45 177.98 1kkt h PHE 168 N 0.10 0.00 -0.02 0.07 -5.15 -1.84 0.16 116.94 110.27 1kkt h PHE 168 Ca 0.59 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.34 1kkt h PHE 168 Cb 2.12 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.28 1kkt h PHE 168 CO -0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 178.31 176.22 1kkt h ALA 169 N 1.57 1.83 -0.01 12.09 0.00 -1.01 -0.37 119.26 133.36 1kkt h ALA 169 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1kkt h ALA 169 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kkt h ALA 169 CO 0.00 0.13 -0.04 1.19 0.00 0.00 0.00 179.25 180.53 1kkt n PHE 170 N -4.42 0.00 -1.38 0.00 3.01 0.58 -2.01 117.46 113.23 1kkt n PHE 170 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 1kkt n PHE 170 Cb 0.17 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 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 -0.71 3.59 -4.34 4.37 4.64 -0.15 -4.48 116.55 119.47 1kkt n ASP 171 Ca 0.19 -2.72 -0.25 0.00 -1.38 0.00 0.00 54.79 50.63 1kkt n ASP 171 Cb 0.24 -1.37 -0.09 0.00 -1.04 0.00 0.00 41.12 38.86 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 3.97 0.94 0.11 5.18 -4.23 -1.26 -5.05 115.64 115.30 1kkt s THR 172 Ca 0.52 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 1kkt s THR 172 Cb 0.14 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 1kkt s THR 172 CO 0.01 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.10 1kkt h PRO 173 N 1.86 0.40 0.00 3.99 0.11 -1.85 -3.26 132.00 133.25 1kkt h PRO 173 Ca -0.39 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 1kkt h PRO 173 Cb 1.27 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1kkt h PRO 173 CO 0.65 0.42 -1.35 0.66 -0.21 0.00 0.00 178.00 178.17 1kkt h SER 174 N 0.30 0.00 0.00 -2.05 4.64 -1.49 -3.48 113.55 111.47 1kkt h SER 174 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1kkt h SER 174 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1kkt h SER 174 CO -0.01 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 1kkt n GLY 175 N 1.44 2.14 3.65 -0.77 0.00 -1.23 -4.87 105.19 105.55 1kkt n GLY 175 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.11 3.38 0.99 1.61 1.01 -1.26 -4.50 120.40 119.52 1kkt s VAL 176 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1kkt s VAL 176 Cb 0.00 -3.33 0.18 0.00 0.00 0.00 0.00 36.38 33.23 1kkt s VAL 176 CO 0.00 -0.09 1.12 -2.16 0.00 0.00 0.00 175.10 173.97 1kkt s PRO 177 N 4.54 0.48 -0.22 2.72 0.04 -1.26 -4.73 135.00 136.58 1kkt s PRO 177 Ca 0.80 0.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1kkt s PRO 177 Cb -0.34 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1kkt s PRO 177 CO 0.34 -2.66 0.31 0.71 0.04 0.00 0.00 177.00 175.73 1kkt s TYR 178 N -3.10 3.34 -0.00 0.56 1.51 -0.85 -4.82 117.35 113.99 1kkt s TYR 178 Ca 0.66 0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 56.94 1kkt s TYR 178 Cb -0.16 -2.43 -0.19 0.00 -0.11 0.00 0.00 41.96 39.07 1kkt s TYR 178 CO 0.56 0.01 1.23 -0.97 -1.11 0.00 0.00 175.55 175.26 1kkt h ASN 179 N 7.47 0.24 -3.51 2.29 -1.24 -1.92 -3.42 115.58 115.50 1kkt h ASN 179 Ca -0.37 -0.57 -0.68 0.00 0.71 0.00 0.00 56.30 55.39 1kkt h ASN 179 Cb 1.16 -0.07 -0.18 0.00 0.73 0.00 0.00 38.32 39.97 1kkt h ASN 179 CO 0.69 0.77 -0.06 0.20 -1.29 0.00 0.00 177.43 177.74 1kkt s ASN 180 N -6.08 6.24 0.30 1.15 -0.87 -1.26 0.40 114.94 114.82 1kkt s ASN 180 Ca -0.15 -0.61 0.03 0.00 -1.57 0.00 0.00 52.86 50.56 1kkt s ASN 180 Cb 0.03 -2.26 -0.06 0.00 -0.02 0.00 0.00 41.25 38.93 1kkt s ASN 180 CO 0.73 -0.70 0.05 0.27 -2.57 0.00 0.00 177.10 174.89 1kkt s ILE 181 N 2.43 1.09 -0.65 0.60 -4.36 -0.32 -1.05 121.20 118.94 1kkt s ILE 181 Ca 0.16 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1kkt s ILE 181 Cb -0.16 -2.70 0.16 0.00 1.25 0.00 0.00 42.46 41.01 1kkt s ILE 181 CO 0.15 -0.06 0.44 0.21 0.24 0.00 0.00 174.94 175.93 1kkt s ASN 182 N -3.43 4.95 0.58 4.36 3.84 -0.44 -0.71 114.94 124.09 1kkt s ASN 182 Ca 0.35 -3.25 0.17 0.00 0.21 0.00 0.00 52.86 50.35 1kkt s ASN 182 Cb 0.08 -1.75 0.95 0.00 -0.55 0.00 0.00 41.25 39.98 1kkt s ASN 182 CO 0.14 -0.23 1.50 0.16 -2.79 0.00 0.00 177.10 175.88 1kkt h ILE 183 N 4.98 0.00 0.02 -5.21 3.07 -1.86 0.94 117.51 119.45 1kkt h ILE 183 Ca 0.02 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.28 1kkt h ILE 183 Cb 0.87 0.39 -0.02 0.00 -0.27 0.00 0.00 36.82 37.79 1kkt h ILE 183 CO 0.73 0.00 -0.82 0.74 -1.05 0.00 0.00 178.15 177.74 1kkt h THR 184 N 0.00 1.26 0.00 0.16 2.02 -1.93 -3.38 112.91 111.04 1kkt h THR 184 Ca 0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1kkt h THR 184 Cb 1.04 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1kkt h THR 184 CO 0.00 0.48 -0.77 -1.54 0.37 0.00 0.00 175.52 174.06 1kkt n SER 185 N -4.42 0.72 0.00 4.18 3.41 -0.62 -4.92 113.62 111.96 1kkt n SER 185 Ca -0.23 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1kkt n SER 185 Cb 0.64 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1kkt n SER 185 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1kkt n HIS 186 N -1.54 0.00 -1.47 7.33 -0.00 0.32 -4.98 115.22 114.87 1kkt n HIS 186 Ca 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.47 1kkt n HIS 186 Cb 0.34 -0.80 0.11 0.00 -0.00 0.00 0.00 29.99 29.64 1kkt n HIS 186 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1kkt s GLY 187 N -2.00 1.61 0.27 -1.41 0.00 -1.22 -4.80 107.32 99.77 1kkt s GLY 187 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.49 1kkt s GLY 187 CO 0.00 0.21 0.03 0.54 0.00 0.00 0.00 173.10 173.88 1kkt s ASN 188 N -3.83 1.98 0.57 1.64 2.20 -1.26 -1.32 114.94 114.92 1kkt s ASN 188 Ca 0.62 -1.30 0.30 0.00 -0.94 0.00 0.00 52.86 51.54 1kkt s ASN 188 Cb -0.15 -0.01 1.44 0.00 -2.00 0.00 0.00 41.25 40.52 1kkt s ASN 188 CO 0.55 -0.57 1.82 -0.78 -2.94 0.00 0.00 177.10 175.18 1kkt h ASP 189 N 2.31 0.00 0.00 3.54 1.82 -1.47 -3.44 116.42 119.18 1kkt h ASP 189 Ca -0.39 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1kkt h ASP 189 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1kkt h ASP 189 CO 0.66 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.90 1kkt n GLY 190 N -1.61 1.12 3.59 -0.78 0.00 -1.26 -5.01 105.19 101.24 1kkt n GLY 190 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.21 -0.28 0.86 4.61 0.00 -1.26 -4.92 120.51 119.31 1kkt n ALA 191 Ca 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1kkt n ALA 191 Cb 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 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 -2.23 0.00 -4.08 0.00 -2.24 -1.26 -4.94 114.28 99.53 1kkt n THR 192 Ca 0.13 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1kkt n THR 192 Cb 0.49 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.78 0.15 -0.04 4.28 -4.23 -1.26 -2.25 115.64 109.51 1kkt s THR 193 Ca 0.07 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1kkt s THR 193 Cb 0.14 -1.74 -0.00 0.00 1.34 0.00 0.00 72.50 72.24 1kkt s THR 193 CO 0.77 -0.69 -0.14 0.21 -0.54 0.00 0.00 174.62 174.23 1kkt s ASN 194 N -2.97 1.85 0.80 3.99 2.47 0.40 -4.86 114.94 116.61 1kkt s ASN 194 Ca 0.15 -0.30 -0.12 0.00 0.42 0.00 0.00 52.86 53.01 1kkt s ASN 194 Cb 0.07 -0.50 0.08 0.00 -1.45 0.00 0.00 41.25 39.45 1kkt s ASN 194 CO -0.05 0.13 1.14 -0.83 -3.72 0.00 0.00 177.10 173.77 1kkt s GLY 195 N 0.08 1.88 0.05 1.21 0.00 -1.26 -0.61 107.32 108.67 1kkt s GLY 195 Ca -0.03 0.54 -0.24 0.00 0.00 0.00 0.00 44.72 44.99 1kkt s GLY 195 CO 0.01 0.93 1.37 -2.00 0.00 0.00 0.00 173.10 173.41 1kkt h LEU 196 N -1.06 -0.90 -0.27 0.66 6.46 -0.82 -1.60 115.31 117.79 1kkt h LEU 196 Ca -0.45 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.43 1kkt h LEU 196 Cb 1.26 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 41.43 1kkt h LEU 196 CO 0.48 -0.46 -0.01 0.00 -0.62 0.00 0.00 178.44 177.84 1kkt h ALA 197 N -1.25 0.23 0.00 1.25 0.00 -1.41 0.35 119.26 118.42 1kkt h ALA 197 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kkt h ALA 197 Cb 0.60 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1kkt h ALA 197 CO -0.01 -0.42 -0.01 -0.39 0.00 0.00 0.00 179.25 178.42 1kkt h VAL 198 N 0.07 0.06 0.02 0.00 -1.51 -1.78 -2.17 116.25 110.94 1kkt h VAL 198 Ca 0.13 -0.19 -0.28 0.00 -1.23 0.00 0.00 66.70 65.12 1kkt h VAL 198 Cb 0.17 1.17 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 1kkt h VAL 198 CO -0.22 0.01 -1.55 0.41 -1.23 0.00 0.00 177.57 174.99 1kkt n THR 199 N -3.15 1.57 -0.62 7.19 -1.04 -0.59 -4.49 114.28 113.15 1kkt n THR 199 Ca -0.02 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.05 61.64 1kkt n THR 199 Cb 0.15 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 66.82 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 1.51 3.86 2.61 3.41 0.00 0.11 -4.24 105.19 112.46 1kkt n GLY 200 Ca -0.35 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.63 1.40 0.00 2.61 -1.04 -0.83 -4.41 114.28 111.39 1kkt n THR 201 Ca 0.43 -3.50 0.00 0.00 -2.04 0.00 0.00 64.05 58.94 1kkt n THR 201 Cb 1.27 0.25 0.00 0.00 -1.82 0.00 0.00 70.33 70.04 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 -0.26 0.05 -0.26 -4.42 4.77 -1.26 -4.78 117.00 110.84 1kkt n LEU 202 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1kkt n LEU 202 Cb 0.79 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.06 1kkt n LEU 202 CO 0.26 0.01 0.86 -0.37 -1.33 0.00 0.00 177.39 176.82 1kkt h VAL 203 N 0.00 0.37 0.06 4.08 -1.51 -1.86 -1.98 116.25 115.41 1kkt h VAL 203 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1kkt h VAL 203 Cb 0.36 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.71 1kkt h VAL 203 CO 0.00 0.03 -0.23 0.25 -1.23 0.00 0.00 177.57 176.39 1kkt h LEU 204 N 0.15 -0.69 -0.83 4.19 6.46 -1.93 -1.25 115.31 121.41 1kkt h LEU 204 Ca 0.43 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 58.15 1kkt h LEU 204 Cb 0.78 0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1kkt h LEU 204 CO -0.63 -0.24 -0.54 1.05 -0.62 0.00 0.00 178.44 177.46 1kkt h GLU 205 N -0.33 0.00 -0.14 1.25 9.09 -1.91 -2.38 114.58 120.16 1kkt h GLU 205 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.31 1kkt h GLU 205 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1kkt h GLU 205 CO -0.12 0.54 -0.28 -1.49 0.05 0.00 0.00 179.01 177.71 1kkt h TRP 206 N 0.00 0.55 -0.84 2.06 4.06 -1.34 -2.08 115.95 118.37 1kkt h TRP 206 Ca -0.01 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.74 1kkt h TRP 206 Cb 1.02 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 1kkt h TRP 206 CO 0.00 0.90 0.48 1.15 -3.56 0.00 0.00 178.44 177.41 1kkt h THR 207 N 0.05 1.24 -0.49 1.49 2.02 -1.25 -1.77 112.91 114.20 1kkt h THR 207 Ca 0.01 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1kkt h THR 207 Cb 0.87 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1kkt h THR 207 CO 0.06 0.26 0.31 -0.09 0.37 0.00 0.00 175.52 176.43 1kkt h ARG 208 N 1.16 0.65 -0.51 6.66 9.65 -1.36 -1.65 114.38 128.98 1kkt h ARG 208 Ca 0.30 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1kkt h ARG 208 Cb -0.01 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1kkt h ARG 208 CO -0.05 0.44 0.12 1.25 2.80 0.00 0.00 179.97 184.53 1kkt h LEU 209 N 0.67 0.77 -1.10 3.80 5.85 -0.60 -2.38 115.31 122.31 1kkt h LEU 209 Ca 0.18 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1kkt h LEU 209 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1kkt h LEU 209 CO -0.04 0.80 0.01 0.28 -0.34 0.00 0.00 178.44 179.16 1kkt h SER 210 N 0.70 0.61 0.07 1.25 0.02 -1.00 -1.71 113.55 113.48 1kkt h SER 210 Ca 0.16 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1kkt h SER 210 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1kkt h SER 210 CO 0.00 0.67 -0.30 0.44 -1.14 0.00 0.00 176.83 176.50 1kkt h ASP 211 N 0.61 0.36 0.35 3.07 5.19 -1.01 0.42 116.42 125.41 1kkt h ASP 211 Ca 0.13 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kkt h ASP 211 Cb 0.37 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1kkt h ASP 211 CO 0.01 0.66 -0.53 0.18 -3.12 0.00 0.00 179.24 176.44 1kkt n LEU 212 N -4.10 0.75 -0.08 1.55 4.77 -0.93 -4.30 117.00 114.66 1kkt n LEU 212 Ca -0.01 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1kkt n LEU 212 Cb 0.42 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1kkt n LEU 212 CO 0.41 0.17 -1.01 0.35 -1.33 0.00 0.00 177.39 175.98 1kkt n THR 213 N -1.27 0.91 0.00 -5.08 -2.24 -0.67 -4.99 114.28 100.94 1kkt n THR 213 Ca 0.07 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1kkt n THR 213 Cb 0.34 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 2.71 0.55 3.50 3.38 0.00 0.15 -5.02 105.19 110.46 1kkt n GLY 214 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.86 6.25 0.00 1.61 3.68 -1.21 -4.89 116.67 120.24 1kkt s ASP 215 Ca 0.00 -0.60 0.13 0.00 2.13 0.00 0.00 52.55 54.21 1kkt s ASP 215 Cb 0.00 -2.46 0.69 0.00 -1.45 0.00 0.00 42.92 39.70 1kkt s ASP 215 CO 0.00 -1.43 1.26 -0.62 0.13 0.00 0.00 175.17 174.51 1kkt n GLU 216 N 7.94 0.27 0.20 4.34 1.02 -1.26 -3.72 120.64 129.43 1kkt n GLU 216 Ca 0.00 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1kkt n GLU 216 Cb 0.47 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1kkt n GLU 216 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1kkt h GLU 217 N 0.00 -0.56 -0.99 3.49 4.81 -1.96 -1.35 114.58 118.03 1kkt h GLU 217 Ca 0.00 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1kkt h GLU 217 Cb 0.06 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 1kkt h GLU 217 CO 0.00 -0.37 0.64 1.88 -0.73 0.00 0.00 179.01 180.43 1kkt h TYR 218 N -0.58 1.19 -0.14 0.92 0.05 -1.87 -1.61 116.97 114.93 1kkt h TYR 218 Ca -0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1kkt h TYR 218 Cb 0.51 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 1kkt h TYR 218 CO -0.15 0.61 -0.12 0.00 -1.05 0.00 0.00 178.16 177.46 1kkt h ALA 219 N 1.45 0.20 -0.83 3.88 0.00 -1.65 -3.05 119.26 119.27 1kkt h ALA 219 Ca 0.43 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1kkt h ALA 219 Cb 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1kkt h ALA 219 CO -0.17 0.06 0.44 0.87 0.00 0.00 0.00 179.25 180.44 1kkt h LYS 220 N -0.04 1.16 0.64 0.00 1.57 -1.01 -1.06 116.57 117.83 1kkt h LYS 220 Ca 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1kkt h LYS 220 Cb 0.63 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1kkt h LYS 220 CO 0.03 0.86 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.22 1kkt h LEU 221 N 1.16 -1.26 -0.25 2.94 3.38 -1.31 -0.63 115.31 119.34 1kkt h LEU 221 Ca 0.29 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1kkt h LEU 221 Cb 0.05 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1kkt h LEU 221 CO -0.04 -0.69 0.11 0.77 0.09 0.00 0.00 178.44 178.68 1kkt h SER 222 N -1.08 0.33 -0.12 -0.43 4.64 -1.46 -2.78 113.55 112.65 1kkt h SER 222 Ca -0.08 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1kkt h SER 222 Cb 0.89 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1kkt h SER 222 CO 0.03 0.37 0.04 1.56 -0.87 0.00 0.00 176.83 177.96 1kkt h GLN 223 N 0.26 0.24 -0.28 4.77 4.20 -1.20 -0.44 115.11 122.66 1kkt h GLN 223 Ca 0.08 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1kkt h GLN 223 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1kkt h GLN 223 CO -0.01 0.24 0.18 -0.22 -0.67 0.00 0.00 178.83 178.35 1kkt h LYS 224 N 0.25 0.35 -0.52 1.46 1.63 -0.84 0.16 116.57 119.06 1kkt h LYS 224 Ca 0.06 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1kkt h LYS 224 Cb 0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1kkt h LYS 224 CO -0.00 0.23 0.19 0.00 -3.45 0.00 0.00 179.45 176.42 1kkt h ALA 225 N 1.11 0.68 -0.58 5.00 0.00 -1.07 -3.02 119.26 121.39 1kkt h ALA 225 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1kkt h ALA 225 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1kkt h ALA 225 CO -0.04 0.31 0.37 1.49 0.00 0.00 0.00 179.25 181.39 1kkt h GLU 226 N 0.71 0.77 -0.97 0.00 4.57 -0.57 -3.09 114.58 115.99 1kkt h GLU 226 Ca 0.17 -0.05 0.29 0.00 -1.18 0.00 0.00 59.36 58.59 1kkt h GLU 226 Cb 0.23 -0.17 -0.18 0.00 -0.16 0.00 0.00 28.75 28.47 1kkt h GLU 226 CO -0.01 0.52 0.15 0.66 -1.18 0.00 0.00 179.01 179.15 1kkt h SER 227 N 0.78 -0.27 -0.69 1.04 4.64 -0.56 0.76 113.55 119.24 1kkt h SER 227 Ca 0.21 0.26 0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1kkt h SER 227 Cb -0.06 0.42 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1kkt h SER 227 CO -0.04 -0.34 0.46 1.88 -0.87 0.00 0.00 176.83 177.91 1kkt h TYR 228 N 0.04 0.82 -0.05 4.77 0.05 -1.66 -0.19 116.97 120.75 1kkt h TYR 228 Ca 0.63 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 59.33 1kkt h TYR 228 Cb 1.39 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 1kkt h TYR 228 CO -0.38 0.49 -0.47 -0.07 -1.05 0.00 0.00 178.16 176.68 1kkt h LEU 229 N 0.86 0.13 -0.27 3.88 3.38 0.37 -2.99 115.31 120.66 1kkt h LEU 229 Ca 0.27 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1kkt h LEU 229 Cb 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1kkt h LEU 229 CO -0.07 0.59 -0.33 -0.07 0.09 0.00 0.00 178.44 178.65 1kkt h LEU 230 N 0.10 0.76 -7.37 1.67 3.38 -0.39 -3.35 115.31 110.11 1kkt h LEU 230 Ca 0.00 -0.49 -0.69 0.00 0.09 0.00 0.00 57.88 56.79 1kkt h LEU 230 Cb 0.87 -0.21 -0.36 0.00 0.09 0.00 0.00 40.66 41.05 1kkt h LEU 230 CO 0.07 1.10 -0.22 -0.54 0.09 0.00 0.00 178.44 178.94 1kkt s LYS 231 N -4.28 3.00 -0.09 1.13 1.02 -0.35 -5.07 119.74 115.09 1kkt s LYS 231 Ca -0.12 -3.07 -0.29 0.00 0.02 0.00 0.00 55.97 52.51 1kkt s LYS 231 Cb 0.08 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1kkt s LYS 231 CO 0.83 -1.24 1.64 -1.25 -0.92 0.00 0.00 175.35 174.41 1kkt s PRO 232 N -0.98 4.10 -0.02 -1.68 0.04 -1.18 -4.74 135.00 130.53 1kkt s PRO 232 Ca 0.24 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1kkt s PRO 232 Cb -0.11 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1kkt s PRO 232 CO -0.10 -0.93 -0.09 -0.65 0.04 0.00 0.00 177.00 175.27 1kkt s GLN 233 N 4.15 0.89 0.83 4.56 -0.21 -1.26 -4.11 119.66 124.51 1kkt s GLN 233 Ca 0.73 -0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.70 1kkt s GLN 233 Cb -0.31 -0.84 0.09 0.00 1.00 0.00 0.00 33.01 32.95 1kkt s GLN 233 CO 0.29 0.13 1.10 -1.25 -2.12 0.00 0.00 175.29 173.43 1kkt s PRO 234 N 0.11 1.77 0.59 2.91 0.04 -1.26 -2.02 135.00 137.14 1kkt s PRO 234 Ca -0.02 1.12 0.30 0.00 0.04 0.00 0.00 61.00 62.44 1kkt s PRO 234 Cb -0.07 -1.84 1.75 0.00 0.04 0.00 0.00 34.50 34.37 1kkt s PRO 234 CO 0.00 -1.97 2.17 0.66 0.04 0.00 0.00 177.00 177.90 1kkt h SER 235 N -1.37 0.00 0.51 6.66 4.64 -1.98 -0.04 113.55 121.96 1kkt h SER 235 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1kkt h SER 235 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1kkt h SER 235 CO 0.51 0.00 -0.06 0.77 -0.87 0.00 0.00 176.83 177.18 1kkt h SER 236 N 0.00 0.00 0.21 4.97 4.64 -1.96 -2.12 113.55 119.29 1kkt h SER 236 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1kkt h SER 236 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1kkt h SER 236 CO -0.00 0.06 0.00 -1.20 -0.87 0.00 0.00 176.83 174.82 1kkt n SER 237 N -3.33 0.00 -3.64 4.97 7.64 -0.03 -4.11 113.62 115.12 1kkt n SER 237 Ca -0.01 -0.60 -0.29 0.00 1.01 0.00 0.00 58.87 58.98 1kkt n SER 237 Cb 0.23 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.11 2.55 -0.43 1.43 2.13 -0.80 -1.88 120.64 122.52 1kkt n GLU 238 Ca 0.19 -4.61 0.39 0.00 0.66 0.00 0.00 57.16 53.79 1kkt n GLU 238 Cb 0.15 -2.30 0.74 0.00 0.27 0.00 0.00 31.44 30.30 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 4.72 0.04 -3.74 5.31 0.11 -1.70 -3.41 132.00 133.32 1kkt h PRO 239 Ca 0.18 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 1kkt h PRO 239 Cb 0.69 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 31.65 1kkt h PRO 239 CO 0.85 0.02 -0.36 -0.06 -0.21 0.00 0.00 178.00 178.25 1kkt s PHE 240 N -4.99 0.12 -0.19 0.65 0.40 -1.25 -5.06 117.98 107.65 1kkt s PHE 240 Ca -0.05 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.47 1kkt s PHE 240 Cb 0.25 -0.04 -0.07 0.00 0.51 0.00 0.00 43.02 43.66 1kkt s PHE 240 CO 0.83 -0.53 2.16 -2.30 0.70 0.00 0.00 175.22 176.08 1kkt n PRO 241 N 0.08 1.98 0.00 0.24 -0.02 -1.26 -1.76 135.00 134.25 1kkt n PRO 241 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1kkt n PRO 241 Cb 0.62 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 5.60 2.92 3.40 -1.23 0.00 -1.26 -3.38 105.19 111.23 1kkt n GLY 242 Ca 0.30 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 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 5.29 0.61 0.99 1.02 -0.72 -4.55 118.68 121.31 1kkt s LEU 243 Ca 0.00 -1.23 0.08 0.00 0.02 0.00 0.00 54.13 53.00 1kkt s LEU 243 Cb 0.00 -2.34 0.10 0.00 0.02 0.00 0.00 46.19 43.97 1kkt s LEU 243 CO 0.00 -0.96 0.85 0.68 0.02 0.00 0.00 176.35 176.93 1kkt s VAL 244 N 2.50 2.08 0.53 -1.59 -7.23 -1.26 -3.22 120.40 112.21 1kkt s VAL 244 Ca 0.12 -0.93 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1kkt s VAL 244 Cb -0.22 -2.16 0.13 0.00 0.56 0.00 0.00 36.38 34.69 1kkt s VAL 244 CO 0.08 0.00 0.49 0.61 -0.31 0.00 0.00 175.10 175.97 1kkt n GLY 245 N -2.38 -2.51 0.27 2.32 0.00 -0.79 -4.28 105.19 97.80 1kkt n GLY 245 Ca 0.16 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1kkt n GLY 245 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kkt n SER 246 N -3.79 1.40 -4.00 1.61 7.64 -0.99 -4.80 113.62 110.68 1kkt n SER 246 Ca 0.07 -1.20 -0.10 0.00 1.01 0.00 0.00 58.87 58.65 1kkt n SER 246 Cb 0.26 0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 63.98 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 -2.15 0.37 -0.05 6.43 1.04 -1.26 -0.44 113.70 117.64 1kkt s SER 247 Ca 0.12 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1kkt s SER 247 Cb 0.13 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1kkt s SER 247 CO 0.50 -0.30 -0.10 -0.63 0.98 0.00 0.00 173.24 173.69 1kkt s ILE 248 N -1.59 0.95 -0.04 -1.02 1.09 0.22 -1.72 121.20 119.09 1kkt s ILE 248 Ca -0.13 -0.40 -0.30 0.00 -1.10 0.00 0.00 60.65 58.72 1kkt s ILE 248 Cb -0.09 -0.87 -0.05 0.00 -1.06 0.00 0.00 42.46 40.39 1kkt s ILE 248 CO -0.01 0.31 1.49 0.20 -0.10 0.00 0.00 174.94 176.83 1kkt s ASN 249 N 0.54 6.78 0.63 3.58 0.02 0.57 -0.46 114.94 126.61 1kkt s ASN 249 Ca -0.10 2.11 0.40 0.00 -1.02 0.00 0.00 52.86 54.25 1kkt s ASN 249 Cb -0.13 -2.55 2.18 0.00 0.02 0.00 0.00 41.25 40.77 1kkt s ASN 249 CO 0.02 -0.82 2.23 0.40 0.02 0.00 0.00 177.10 178.95 1kkt h ILE 250 N 5.27 0.00 0.00 0.60 2.04 -1.75 -2.25 117.51 121.41 1kkt h ILE 250 Ca -0.37 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.19 1kkt h ILE 250 Cb 1.17 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1kkt h ILE 250 CO 0.94 0.00 -1.78 0.59 0.00 0.00 0.00 178.15 177.89 1kkt n ASN 251 N -2.96 1.91 0.00 1.72 5.03 -1.26 -3.19 115.26 116.50 1kkt n ASN 251 Ca -0.03 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.82 1kkt n ASN 251 Cb 0.12 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.01 1kkt n ASN 251 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1kkt n ASP 252 N -4.36 0.00 0.00 6.41 8.00 -1.13 -2.93 116.55 122.54 1kkt n ASP 252 Ca -0.39 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1kkt n ASP 252 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1kkt n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kkt n GLY 253 N 1.57 -0.50 3.93 0.44 0.00 -0.86 -4.57 105.19 105.21 1kkt n GLY 253 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.17 -0.28 1.61 -0.21 -1.26 -4.71 119.66 117.99 1kkt s GLN 254 Ca 0.00 -0.23 -0.20 0.00 0.02 0.00 0.00 55.36 54.94 1kkt s GLN 254 Cb 0.00 -2.47 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 1kkt s GLN 254 CO 0.00 -0.30 0.63 -0.06 -2.12 0.00 0.00 175.29 173.44 1kkt s PHE 255 N -2.66 3.25 0.40 0.91 0.40 -0.86 -0.31 117.98 119.11 1kkt s PHE 255 Ca 0.48 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.59 1kkt s PHE 255 Cb -0.10 -2.92 0.85 0.00 0.51 0.00 0.00 43.02 41.36 1kkt s PHE 255 CO 0.41 -0.40 2.03 0.00 0.70 0.00 0.00 175.22 177.95 1kkt h ALA 256 N 8.05 1.75 -3.68 5.36 0.00 -1.68 -3.44 119.26 125.62 1kkt h ALA 256 Ca -0.27 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1kkt h ALA 256 Cb 1.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1kkt h ALA 256 CO 0.79 0.20 -0.06 -0.40 0.00 0.00 0.00 179.25 179.78 1kkt n ASP 257 N -4.47 1.04 -1.04 0.00 5.75 -1.26 -5.05 116.55 111.52 1kkt n ASP 257 Ca 0.06 -1.27 0.05 0.00 -0.01 0.00 0.00 54.79 53.61 1kkt n ASP 257 Cb 0.13 0.12 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 1kkt n ASP 257 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1kkt n SER 258 N -1.94 1.27 -4.70 -1.12 3.41 -1.26 -4.44 113.62 104.83 1kkt n SER 258 Ca -0.01 -2.78 -0.40 0.00 -0.26 0.00 0.00 58.87 55.43 1kkt n SER 258 Cb 0.08 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1kkt n SER 258 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1kkt s ARG 259 N -1.36 4.37 0.02 4.33 3.52 -1.26 -4.56 118.95 124.01 1kkt s ARG 259 Ca 0.33 0.79 0.07 0.00 -0.13 0.00 0.00 55.73 56.79 1kkt s ARG 259 Cb 0.35 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.24 1kkt s ARG 259 CO -0.11 -0.02 -0.20 0.54 -0.81 0.00 0.00 175.30 174.70 1kkt s VAL 260 N 1.13 1.59 -0.07 7.11 0.11 0.17 -2.35 120.40 128.08 1kkt s VAL 260 Ca 0.34 -1.04 -0.32 0.00 -2.93 0.00 0.00 61.98 58.03 1kkt s VAL 260 Cb -0.17 -1.36 0.13 0.00 -1.53 0.00 0.00 36.38 33.45 1kkt s VAL 260 CO 0.15 0.29 1.39 -0.94 -3.33 0.00 0.00 175.10 172.66 1kkt s SER 261 N -0.89 -0.01 -0.03 3.54 1.04 -1.26 -0.75 113.70 115.34 1kkt s SER 261 Ca 0.07 -0.05 0.14 0.00 0.48 0.00 0.00 55.95 56.59 1kkt s SER 261 Cb -0.08 0.05 0.41 0.00 0.10 0.00 0.00 66.02 66.50 1kkt s SER 261 CO 0.01 -0.10 1.34 0.79 0.98 0.00 0.00 173.24 176.26 1kkt n TRP 262 N -0.58 0.66 -1.57 5.02 7.02 -1.26 -4.32 117.44 122.41 1kkt n TRP 262 Ca -0.07 -0.55 -0.23 0.00 -1.02 0.00 0.00 57.50 55.63 1kkt n TRP 262 Cb 0.63 -0.07 0.17 0.00 -2.42 0.00 0.00 31.31 29.62 1kkt n TRP 262 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1kkt n ASN 263 N 0.62 -0.30 -4.65 -0.99 3.02 -1.26 -3.50 115.26 108.19 1kkt n ASN 263 Ca 0.15 -1.31 -0.44 0.00 -0.03 0.00 0.00 54.58 52.95 1kkt n ASN 263 Cb 0.54 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 1kkt n ASN 263 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkt n GLY 264 N -2.12 0.35 0.00 7.41 0.00 -1.26 -0.59 105.19 108.97 1kkt n GLY 264 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 1.36 3.15 1.12 -0.02 0.00 -1.26 -4.74 105.19 104.79 1kkt n GLY 265 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.42 0.00 1.61 10.43 -0.64 -1.41 116.55 126.97 1kkt n ASP 266 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1kkt n ASP 266 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1kkt n ASP 266 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1kkt n ASP 267 N -2.73 0.00 -0.27 -2.24 3.85 0.24 -0.32 116.55 115.08 1kkt n ASP 267 Ca 0.00 0.00 0.34 0.00 -0.71 0.00 0.00 54.79 54.42 1kkt n ASP 267 Cb 0.33 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 40.80 1kkt n ASP 267 CO 0.00 0.00 0.00 -1.28 -1.01 0.00 0.00 177.20 174.91 1kkt h SER 268 N 0.00 0.00 0.77 -1.12 0.87 -1.87 -2.52 113.55 109.68 1kkt h SER 268 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1kkt h SER 268 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1kkt h SER 268 CO 0.00 0.00 -0.41 0.15 -0.53 0.00 0.00 176.83 176.04 1kkt h PHE 269 N 0.00 -1.09 -0.14 2.24 3.57 -0.88 -2.58 116.94 118.07 1kkt h PHE 269 Ca 0.53 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 1kkt h PHE 269 Cb 2.41 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 41.52 1kkt h PHE 269 CO 0.00 -0.65 0.05 1.88 -2.23 0.00 0.00 178.31 177.36 1kkt h TYR 270 N -1.09 0.18 0.55 0.41 -1.99 -1.61 -2.87 116.97 110.55 1kkt h TYR 270 Ca -0.10 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1kkt h TYR 270 Cb 0.86 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.53 1kkt h TYR 270 CO -0.06 0.16 -0.29 1.49 -0.00 0.00 0.00 178.16 179.46 1kkt h GLU 271 N 0.19 -0.75 0.00 4.88 4.81 -1.46 -2.71 114.58 119.55 1kkt h GLU 271 Ca 0.05 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1kkt h GLU 271 Cb 0.06 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1kkt h GLU 271 CO -0.00 -0.50 0.00 0.66 -0.73 0.00 0.00 179.01 178.44 1kkt n TYR 272 N -5.43 0.76 0.33 0.92 4.02 -0.99 -2.67 117.16 114.10 1kkt n TYR 272 Ca -0.12 0.33 -0.16 0.00 -0.01 0.00 0.00 57.90 57.94 1kkt n TYR 272 Cb 0.33 -1.04 -0.08 0.00 -0.02 0.00 0.00 39.34 38.53 1kkt n TYR 272 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1kkt h LEU 273 N 0.00 -0.70 -0.56 7.72 5.85 -1.29 -0.89 115.31 125.44 1kkt h LEU 273 Ca 0.00 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1kkt h LEU 273 Cb 0.23 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1kkt h LEU 273 CO 0.00 -0.40 -0.67 -0.29 -0.34 0.00 0.00 178.44 176.74 1kkt h ILE 274 N -0.99 1.41 -0.02 4.05 6.09 -1.62 -3.17 117.51 123.26 1kkt h ILE 274 Ca -0.08 -2.12 -0.08 0.00 -1.37 0.00 0.00 64.86 61.20 1kkt h ILE 274 Cb 0.68 2.10 -0.01 0.00 0.47 0.00 0.00 36.82 40.06 1kkt h ILE 274 CO 0.14 0.63 -0.37 0.11 -3.07 0.00 0.00 178.15 175.59 1kkt h LYS 275 N 0.17 0.04 0.00 2.19 1.57 -1.49 -1.99 116.57 117.06 1kkt h LYS 275 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1kkt h LYS 275 Cb 1.20 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1kkt h LYS 275 CO 0.10 0.41 -0.34 0.52 -0.57 0.00 0.00 179.45 179.57 1kkt h MET 276 N 0.03 0.00 -0.30 3.15 2.86 -1.13 -1.32 114.93 118.23 1kkt h MET 276 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1kkt h MET 276 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1kkt h MET 276 CO 0.05 0.34 -0.30 -0.92 1.06 0.00 0.00 176.91 177.14 1kkt h TYR 277 N 0.00 0.72 0.00 -0.22 3.20 -1.42 -2.40 116.97 116.85 1kkt h TYR 277 Ca -0.00 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 1kkt h TYR 277 Cb 0.68 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1kkt h TYR 277 CO 0.00 0.86 -0.50 0.28 -1.64 0.00 0.00 178.16 177.16 1kkt h VAL 278 N 0.54 1.09 -0.32 1.81 2.07 -1.09 -1.35 116.25 118.99 1kkt h VAL 278 Ca 0.06 -1.91 -0.12 0.00 0.82 0.00 0.00 66.70 65.56 1kkt h VAL 278 Cb 0.79 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1kkt h VAL 278 CO 0.06 0.49 -0.25 0.22 0.02 0.00 0.00 177.57 178.11 1kkt h TYR 279 N 0.00 0.87 -0.94 1.57 3.20 -0.90 -3.43 116.97 117.34 1kkt h TYR 279 Ca -0.01 -0.25 0.03 0.00 3.14 0.00 0.00 58.73 61.65 1kkt h TYR 279 Cb 1.08 -0.19 -0.20 0.00 1.54 0.00 0.00 36.73 38.95 1kkt h TYR 279 CO 0.00 0.99 -0.36 0.34 -1.64 0.00 0.00 178.16 177.49 1kkt s ASP 280 N -6.54 -1.52 0.64 -2.11 -1.08 -0.94 0.54 116.67 105.68 1kkt s ASP 280 Ca -0.12 -0.01 0.43 0.00 -0.52 0.00 0.00 52.55 52.33 1kkt s ASP 280 Cb 0.09 1.95 2.34 0.00 -1.46 0.00 0.00 42.92 45.85 1kkt s ASP 280 CO 0.83 -0.26 2.32 1.55 0.52 0.00 0.00 175.17 180.14 1kkt h PRO 281 N 7.72 0.00 0.00 4.34 0.13 -1.49 -2.52 132.00 140.19 1kkt h PRO 281 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1kkt h PRO 281 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kkt h PRO 281 CO 0.12 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.06 1kkt n LYS 282 N -3.03 0.00 -0.14 0.86 4.81 -1.26 -3.36 118.16 116.05 1kkt n LYS 282 Ca -0.03 0.43 0.18 0.00 -0.87 0.00 0.00 58.31 58.02 1kkt n LYS 282 Cb 0.07 -1.04 0.57 0.00 0.02 0.00 0.00 35.03 34.65 1kkt n LYS 282 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kkt h ARG 283 N 0.00 0.28 -1.03 1.64 3.08 -1.96 -3.18 114.38 113.21 1kkt h ARG 283 Ca 0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.46 1kkt h ARG 283 Cb 0.00 -0.06 -0.42 0.00 0.08 0.00 0.00 29.97 29.57 1kkt h ARG 283 CO 0.00 0.18 -0.73 1.19 -1.07 0.00 0.00 179.97 179.54 1kkt n PHE 284 N -4.44 2.99 0.04 3.04 3.01 -0.95 -4.69 117.46 116.46 1kkt n PHE 284 Ca 0.14 -2.54 0.00 0.00 1.01 0.00 0.00 57.45 56.06 1kkt n PHE 284 Cb 0.60 -0.29 0.32 0.00 -0.01 0.00 0.00 39.48 40.10 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 2.32 0.42 -0.41 -1.08 4.22 -1.55 -2.25 114.58 116.25 1kkt h GLU 285 Ca 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 59.36 59.69 1kkt h GLU 285 Cb 1.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1kkt h GLU 285 CO 0.82 0.51 0.25 1.15 -2.18 0.00 0.00 179.01 179.55 1kkt h THR 286 N 0.40 1.12 -0.49 0.32 2.02 -1.88 -2.46 112.91 111.93 1kkt h THR 286 Ca 0.08 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1kkt h THR 286 Cb 0.39 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1kkt h THR 286 CO 0.02 0.12 -0.12 1.88 0.37 0.00 0.00 175.52 177.79 1kkt h TYR 287 N 0.56 1.07 -0.41 3.16 -1.99 -1.70 -2.67 116.97 114.98 1kkt h TYR 287 Ca 0.15 -0.23 -0.11 0.00 2.00 0.00 0.00 58.73 60.54 1kkt h TYR 287 Cb -0.03 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.43 1kkt h TYR 287 CO 0.00 1.03 -0.19 1.57 -0.00 0.00 0.00 178.16 180.57 1kkt h LYS 288 N 0.81 0.80 -0.41 4.88 2.10 -1.45 -0.95 116.57 122.34 1kkt h LYS 288 Ca 0.12 -0.31 0.03 0.00 -2.00 0.00 0.00 60.65 58.50 1kkt h LYS 288 Cb 0.68 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.93 1kkt h LYS 288 CO 0.05 0.93 0.20 -0.44 -2.00 0.00 0.00 179.45 178.19 1kkt h ASP 289 N 0.70 0.30 -0.47 7.07 3.45 -1.34 0.48 116.42 126.61 1kkt h ASP 289 Ca 0.10 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.49 1kkt h ASP 289 Cb 0.70 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 1kkt h ASP 289 CO 0.05 0.21 -0.07 0.03 -1.57 0.00 0.00 179.24 177.90 1kkt h ARG 290 N 0.41 0.88 -0.56 3.56 2.47 -1.29 -1.83 114.38 118.03 1kkt h ARG 290 Ca 0.18 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1kkt h ARG 290 Cb 0.08 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1kkt h ARG 290 CO -0.12 0.96 0.34 2.35 0.56 0.00 0.00 179.97 184.05 1kkt h TRP 291 N 0.73 0.74 -1.00 3.04 7.01 -0.58 0.90 115.95 126.79 1kkt h TRP 291 Ca 0.12 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1kkt h TRP 291 Cb 0.61 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.38 1kkt h TRP 291 CO 0.05 0.51 0.66 0.28 -2.79 0.00 0.00 178.44 177.14 1kkt h VAL 292 N 0.75 1.25 -0.30 2.65 2.07 0.08 0.71 116.25 123.47 1kkt h VAL 292 Ca 0.20 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1kkt h VAL 292 Cb -0.02 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.53 1kkt h VAL 292 CO -0.04 0.25 0.14 0.25 0.02 0.00 0.00 177.57 178.18 1kkt h LEU 293 N 1.35 0.39 -0.16 2.57 5.85 -0.44 -1.72 115.31 123.15 1kkt h LEU 293 Ca 0.37 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1kkt h LEU 293 Cb -0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1kkt h LEU 293 CO -0.08 0.42 0.02 0.00 -0.34 0.00 0.00 178.44 178.46 1kkt h ALA 294 N 0.99 0.22 -0.36 1.25 0.00 0.01 -0.64 119.26 120.73 1kkt h ALA 294 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1kkt h ALA 294 Cb 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1kkt h ALA 294 CO -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 179.25 178.97 1kkt h ALA 295 N 0.80 0.11 -0.23 0.00 0.00 0.54 0.43 119.26 120.92 1kkt h ALA 295 Ca 0.05 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1kkt h ALA 295 Cb 0.33 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1kkt h ALA 295 CO 0.00 -0.54 -0.22 0.93 0.00 0.00 0.00 179.25 179.42 1kkt h GLU 296 N -0.10 0.56 -0.60 0.00 5.08 -1.30 -2.07 114.58 116.15 1kkt h GLU 296 Ca 0.18 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1kkt h GLU 296 Cb 0.38 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1kkt h GLU 296 CO -0.43 0.88 0.40 0.77 -1.00 0.00 0.00 179.01 179.63 1kkt h SER 297 N 0.26 0.62 0.32 1.42 0.02 -0.66 -0.69 113.55 114.84 1kkt h SER 297 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1kkt h SER 297 Cb 0.77 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1kkt h SER 297 CO 0.06 0.43 -0.16 0.74 -1.14 0.00 0.00 176.83 176.76 1kkt h THR 298 N 0.72 0.70 0.00 -2.27 2.02 0.04 -0.39 112.91 113.73 1kkt h THR 298 Ca 0.24 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1kkt h THR 298 Cb 0.05 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1kkt h THR 298 CO -0.06 0.08 -0.01 0.40 0.37 0.00 0.00 175.52 176.30 1kkt h ILE 299 N -0.66 0.25 0.00 3.11 2.04 -0.94 0.38 117.51 121.68 1kkt h ILE 299 Ca -0.04 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1kkt h ILE 299 Cb 0.47 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1kkt h ILE 299 CO 0.07 0.01 -1.65 1.17 0.00 0.00 0.00 178.15 177.76 1kkt n LYS 300 N -3.42 0.64 0.00 2.37 3.00 -0.31 -4.41 118.16 116.03 1kkt n LYS 300 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1kkt n LYS 300 Cb 0.10 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.43 1kkt n LYS 300 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1kkt n HIS 301 N -2.71 0.00 -0.02 5.64 8.25 -0.17 -4.84 115.22 121.37 1kkt n HIS 301 Ca -0.11 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1kkt n HIS 301 Cb 0.80 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.72 0.32 -4.54 2.41 4.77 0.13 -4.96 117.00 114.41 1kkt n LEU 302 Ca 0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 1kkt n LEU 302 Cb 0.00 0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1kkt n LEU 302 CO 0.00 0.22 0.34 1.17 -1.33 0.00 0.00 177.39 177.79 1kkt n LYS 303 N -2.66 0.92 -3.57 3.23 4.81 -0.83 -1.75 118.16 118.30 1kkt n LYS 303 Ca -0.16 0.34 -0.17 0.00 -0.87 0.00 0.00 58.31 57.45 1kkt n LYS 303 Cb 0.87 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 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 -0.92 -0.62 -0.02 3.14 0.15 -1.13 -4.82 113.70 109.48 1kkt s SER 304 Ca 0.65 0.79 0.05 0.00 0.70 0.00 0.00 55.95 58.14 1kkt s SER 304 Cb -0.54 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1kkt s SER 304 CO 0.56 -0.51 -0.16 -1.00 1.20 0.00 0.00 173.24 173.33 1kkt s HIS 305 N -0.87 1.43 0.48 3.44 3.76 -1.26 -0.65 115.29 121.62 1kkt s HIS 305 Ca -0.09 -0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 54.32 1kkt s HIS 305 Cb -0.02 -0.93 -0.08 0.00 1.11 0.00 0.00 32.58 32.66 1kkt s HIS 305 CO 0.07 -0.05 1.07 -2.14 -0.85 0.00 0.00 174.74 172.85 1kkt s PRO 306 N -0.29 3.76 0.05 8.40 0.02 -1.21 -4.89 135.00 140.83 1kkt s PRO 306 Ca 0.04 1.49 -0.25 0.00 0.02 0.00 0.00 61.00 62.30 1kkt s PRO 306 Cb -0.07 -2.18 -0.17 0.00 0.02 0.00 0.00 34.50 32.10 1kkt s PRO 306 CO -0.00 -0.49 1.54 0.87 -0.33 0.00 0.00 177.00 178.59 1kkt h LYS 307 N 1.69 -0.11 0.00 5.54 1.57 -1.89 -1.27 116.57 122.10 1kkt h LYS 307 Ca -0.49 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1kkt h LYS 307 Cb 1.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1kkt h LYS 307 CO 0.59 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 178.43 1kkt n SER 308 N -5.05 0.28 -3.08 0.86 3.41 -1.26 -4.00 113.62 104.77 1kkt n SER 308 Ca -0.08 0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 58.90 1kkt n SER 308 Cb 0.14 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 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 -1.80 0.57 0.29 4.33 5.12 -1.07 -4.85 116.66 119.25 1kkt n ARG 309 Ca 0.04 -2.72 0.15 0.00 -1.93 0.00 0.00 57.85 53.39 1kkt n ARG 309 Cb 0.23 -1.41 0.87 0.00 -1.16 0.00 0.00 32.46 30.99 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 4.53 0.00 0.00 5.56 0.11 -1.37 -2.21 132.00 138.62 1kkt h PRO 310 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1kkt h PRO 310 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1kkt h PRO 310 CO 0.35 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.77 1kkt n ASP 311 N -3.76 0.00 -4.37 -2.05 5.75 -1.26 -4.71 116.55 106.16 1kkt n ASP 311 Ca -0.03 -1.31 -0.30 0.00 -0.01 0.00 0.00 54.79 53.14 1kkt n ASP 311 Cb 0.13 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.20 2.25 -0.06 -2.12 1.43 -0.83 -4.99 118.68 113.15 1kkt s LEU 312 Ca 0.07 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1kkt s LEU 312 Cb 0.03 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1kkt s LEU 312 CO 0.05 0.26 -0.24 -0.89 0.23 0.00 0.00 176.35 175.76 1kkt s THR 313 N -0.84 1.99 -0.07 5.49 2.01 -1.26 -3.80 115.64 119.17 1kkt s THR 313 Ca 0.12 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1kkt s THR 313 Cb -0.10 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.76 1kkt s THR 313 CO 0.03 0.55 0.14 -0.36 -0.69 0.00 0.00 174.62 174.29 1kkt s PHE 314 N -0.04 -0.15 0.61 4.92 2.99 0.17 -4.38 117.98 122.11 1kkt s PHE 314 Ca -0.07 0.52 -0.18 0.00 0.00 0.00 0.00 56.93 57.20 1kkt s PHE 314 Cb -0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 43.02 42.66 1kkt s PHE 314 CO 0.05 -0.21 1.16 -0.51 -0.00 0.00 0.00 175.22 175.71 1kkt s LEU 315 N 1.74 3.59 0.36 -0.37 1.43 -1.26 -2.85 118.68 121.31 1kkt s LEU 315 Ca -0.03 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1kkt s LEU 315 Cb -0.12 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.46 1kkt s LEU 315 CO -0.06 -1.58 0.05 -0.94 0.23 0.00 0.00 176.35 174.06 1kkt s SER 316 N -1.90 2.82 0.15 2.29 1.04 -0.72 -4.68 113.70 112.70 1kkt s SER 316 Ca 0.74 -1.41 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1kkt s SER 316 Cb -0.26 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1kkt s SER 316 CO 0.34 -0.60 0.26 -0.44 0.98 0.00 0.00 173.24 173.78 1kkt s SER 317 N -3.56 6.21 -0.03 7.02 0.01 -1.09 -4.74 113.70 117.51 1kkt s SER 317 Ca 0.34 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1kkt s SER 317 Cb 0.08 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1kkt s SER 317 CO 0.16 0.06 -0.06 -0.47 0.41 0.00 0.00 173.24 173.33 1kkt s TYR 318 N -1.74 0.78 0.00 2.43 5.04 0.07 -1.18 117.35 122.75 1kkt s TYR 318 Ca 0.34 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1kkt s TYR 318 Cb -0.11 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.58 1kkt s TYR 318 CO 0.28 -0.14 0.00 0.45 -1.34 0.00 0.00 175.55 174.79 1kkt n SER 319 N 3.69 0.00 -3.75 4.32 2.88 -1.12 0.42 113.62 120.07 1kkt n SER 319 Ca -0.22 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.02 1kkt n SER 319 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1kkt n SER 319 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1kkt s ASN 320 N 0.76 3.86 0.00 -3.46 0.01 -1.26 -4.59 114.94 110.27 1kkt s ASN 320 Ca 0.00 -2.32 0.00 0.00 -0.71 0.00 0.00 52.86 49.83 1kkt s ASN 320 Cb 0.00 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.61 1kkt s ASN 320 CO 0.00 -0.32 0.00 0.54 -1.51 0.00 0.00 177.10 175.81 1kkt n ARG 321 N 3.96 0.00 -3.95 -0.60 3.00 -1.26 -4.94 116.66 112.87 1kkt n ARG 321 Ca 0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.54 1kkt n ARG 321 Cb 0.37 -0.98 -0.06 0.00 0.00 0.00 0.00 32.46 31.80 1kkt n ARG 321 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1kkt s ASN 322 N -0.21 6.22 -0.02 0.55 2.47 -1.26 -5.11 114.94 117.58 1kkt s ASN 322 Ca 0.00 0.37 0.01 0.00 0.42 0.00 0.00 52.86 53.66 1kkt s ASN 322 Cb 0.00 -1.95 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 1kkt s ASN 322 CO 0.00 0.35 -0.01 -0.31 -3.72 0.00 0.00 177.10 173.41 1kkt s TYR 323 N -1.13 3.07 -0.27 0.43 1.51 -1.26 -2.80 117.35 116.90 1kkt s TYR 323 Ca 0.20 0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.27 1kkt s TYR 323 Cb -0.12 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1kkt s TYR 323 CO 0.10 0.45 0.08 0.34 -1.11 0.00 0.00 175.55 175.40 1kkt s ASP 324 N -1.41 5.12 -1.31 2.29 3.68 -0.32 -4.97 116.67 119.75 1kkt s ASP 324 Ca 0.18 -0.39 -0.09 0.00 2.13 0.00 0.00 52.55 54.38 1kkt s ASP 324 Cb -0.11 -1.91 0.14 0.00 -1.45 0.00 0.00 42.92 39.59 1kkt s ASP 324 CO 0.08 -0.10 2.04 0.18 0.13 0.00 0.00 175.17 177.51 1kkt n LEU 325 N 4.91 7.06 -3.62 -1.34 4.32 -1.26 -2.68 117.00 124.38 1kkt n LEU 325 Ca -0.16 -4.67 -0.13 0.00 -0.02 0.00 0.00 56.01 51.03 1kkt n LEU 325 Cb 0.50 -1.46 -0.06 0.00 -1.62 0.00 0.00 43.42 40.78 1kkt n LEU 325 CO 0.31 1.55 0.21 -0.94 -1.22 0.00 0.00 177.39 177.30 1kkt s SER 326 N 0.87 -0.35 0.31 -1.43 1.04 -1.26 -1.45 113.70 111.42 1kkt s SER 326 Ca 0.44 0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 1kkt s SER 326 Cb 0.12 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1kkt s SER 326 CO -0.02 -0.70 0.38 -0.55 0.98 0.00 0.00 173.24 173.33 1kkt s SER 327 N -2.02 0.83 0.32 7.02 0.15 -0.35 -4.59 113.70 115.05 1kkt s SER 327 Ca -0.05 -1.46 0.07 0.00 0.70 0.00 0.00 55.95 55.21 1kkt s SER 327 Cb -0.01 0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1kkt s SER 327 CO -0.03 -1.16 -0.03 -1.10 1.20 0.00 0.00 173.24 172.12 1kkt s GLN 328 N -3.43 1.68 0.31 5.44 -0.21 -1.26 -1.62 119.66 120.58 1kkt s GLN 328 Ca 0.33 -1.89 0.03 0.00 0.02 0.00 0.00 55.36 53.85 1kkt s GLN 328 Cb 0.01 -1.28 0.52 0.00 1.00 0.00 0.00 33.01 33.26 1kkt s GLN 328 CO 0.19 0.00 1.83 1.25 -2.12 0.00 0.00 175.29 176.44 1kkt h HIS 329 N 2.13 0.61 -0.71 0.91 -0.00 -1.24 -2.15 115.15 114.70 1kkt h HIS 329 Ca -0.41 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 59.92 1kkt h HIS 329 Cb 1.24 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.44 1kkt h HIS 329 CO 0.69 0.61 0.47 -0.07 -0.00 0.00 0.00 177.93 179.62 1kkt h LEU 330 N 0.55 0.73 -1.91 0.26 3.38 -1.94 -2.26 115.31 114.13 1kkt h LEU 330 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1kkt h LEU 330 Cb 0.40 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1kkt h LEU 330 CO 0.02 0.50 -0.12 0.74 0.09 0.00 0.00 178.44 179.67 1kkt h THR 331 N 0.85 0.77 0.00 0.22 2.02 -1.60 -3.03 112.91 112.14 1kkt h THR 331 Ca 0.29 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1kkt h THR 331 Cb 0.08 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1kkt h THR 331 CO -0.08 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1kkt h PHE 333 N 0.00 0.00 -0.13 0.00 -5.15 -1.70 -3.34 116.94 106.62 1kkt h PHE 333 Ca 0.00 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.82 1kkt h PHE 333 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.11 1kkt h PHE 333 CO 0.00 0.00 -0.25 0.38 -2.00 0.00 0.00 178.31 176.44 1kkt h ASP 334 N 0.00 -0.79 -0.70 -0.68 -0.00 -1.47 -2.47 116.42 110.31 1kkt h ASP 334 Ca 0.00 0.12 0.14 0.00 -0.00 0.00 0.00 57.03 57.29 1kkt h ASP 334 Cb 0.80 0.35 -0.13 0.00 -0.00 0.00 0.00 39.33 40.35 1kkt h ASP 334 CO 0.00 -0.30 -0.18 1.23 -0.00 0.00 0.00 179.24 179.99 1kkt h GLY 335 N -0.32 0.48 2.00 7.15 0.00 -1.80 0.73 103.07 111.31 1kkt h GLY 335 Ca 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1kkt h GLY 335 CO -0.32 -0.26 -0.03 -1.33 0.00 0.00 0.00 176.54 174.60 1kkt h GLY 336 N -0.01 0.00 0.95 4.60 0.00 -1.69 -0.13 103.07 106.79 1kkt h GLY 336 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 1kkt h GLY 336 CO -0.72 0.00 -0.44 0.23 0.00 0.00 0.00 176.54 175.61 1kkt h SER 337 N 0.00 0.71 -0.31 0.19 0.87 0.84 -1.31 113.55 114.54 1kkt h SER 337 Ca -0.00 -0.57 -0.14 0.00 -1.23 0.00 0.00 61.79 59.85 1kkt h SER 337 Cb 0.06 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1kkt h SER 337 CO 0.00 1.14 -0.34 -0.26 -0.53 0.00 0.00 176.83 176.84 1kkt h PHE 338 N 0.30 0.99 -0.31 2.24 -1.00 -0.51 -0.27 116.94 118.39 1kkt h PHE 338 Ca -0.00 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.48 1kkt h PHE 338 Cb 1.05 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 1kkt h PHE 338 CO 0.09 1.06 0.11 -0.07 -1.61 0.00 0.00 178.31 177.90 1kkt h LEU 339 N 0.70 0.44 -0.21 1.54 3.38 -1.03 0.51 115.31 120.63 1kkt h LEU 339 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1kkt h LEU 339 Cb 0.91 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1kkt h LEU 339 CO 0.08 0.51 0.02 0.25 0.09 0.00 0.00 178.44 179.39 1kkt h LEU 340 N 0.34 0.34 -1.53 1.67 7.12 -1.20 -1.28 115.31 120.77 1kkt h LEU 340 Ca 0.10 -0.28 -0.05 0.00 0.13 0.00 0.00 57.88 57.78 1kkt h LEU 340 Cb 0.22 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1kkt h LEU 340 CO -0.01 0.54 -0.24 1.23 -0.13 0.00 0.00 178.44 179.84 1kkt h GLY 341 N 0.13 0.00 0.97 3.75 0.00 -0.89 -2.49 103.07 104.55 1kkt h GLY 341 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 1kkt h GLY 341 CO 0.01 0.00 -1.01 -1.33 0.00 0.00 0.00 176.54 174.21 1kkt h GLY 342 N 1.10 0.54 1.11 4.60 0.00 0.31 -2.29 103.07 108.44 1kkt h GLY 342 Ca -0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 47.33 46.01 1kkt h GLY 342 CO 0.03 1.03 -0.30 0.00 0.00 0.00 0.00 176.54 177.30 1kkt h THR 343 N -0.01 1.27 -0.14 4.70 1.03 -1.21 0.34 112.91 118.89 1kkt h THR 343 Ca -0.16 -1.47 -0.05 0.00 -0.01 0.00 0.00 66.41 64.72 1kkt h THR 343 Cb 1.74 1.26 -0.00 0.00 -1.07 0.00 0.00 68.15 70.08 1kkt h THR 343 CO 0.19 0.50 -0.10 0.58 -0.01 0.00 0.00 175.52 176.68 1kkt h VAL 344 N 0.80 1.33 -0.00 0.00 2.07 -1.56 -2.91 116.25 115.98 1kkt h VAL 344 Ca 0.08 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1kkt h VAL 344 Cb 0.89 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1kkt h VAL 344 CO 0.08 0.35 -0.13 0.18 0.02 0.00 0.00 177.57 178.07 1kkt n LEU 345 N -4.62 0.24 -2.00 2.57 4.77 -0.86 -4.68 117.00 112.41 1kkt n LEU 345 Ca -0.06 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 1kkt n LEU 345 Cb 0.32 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1kkt n LEU 345 CO 0.38 0.05 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.67 1kkt n ASP 346 N -1.31 -4.93 -4.35 -1.43 2.03 0.98 -4.95 116.55 102.59 1kkt n ASP 346 Ca 0.10 -0.07 -0.46 0.00 0.52 0.00 0.00 54.79 54.88 1kkt n ASP 346 Cb 0.31 -3.97 -0.04 0.00 -0.72 0.00 0.00 41.12 36.70 1kkt n ASP 346 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1kkt s ARG 347 N -4.98 3.16 0.56 -0.67 1.81 0.00 -4.91 118.95 113.92 1kkt s ARG 347 Ca 0.06 -1.69 0.30 0.00 -1.72 0.00 0.00 55.73 52.68 1kkt s ARG 347 Cb -0.03 -4.35 1.65 0.00 -0.45 0.00 0.00 34.95 31.77 1kkt s ARG 347 CO 0.08 -1.44 2.15 0.37 -0.68 0.00 0.00 175.30 175.78 1kkt h GLN 348 N 8.82 0.00 0.00 3.54 5.75 -1.93 -1.75 115.11 129.54 1kkt h GLN 348 Ca -0.20 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 1kkt h GLN 348 Cb 1.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1kkt h GLN 348 CO 1.02 0.07 -0.33 0.38 -2.65 0.00 0.00 178.83 177.32 1kkt h ASP 349 N 0.00 0.00 0.19 -0.69 2.03 -1.96 -1.98 116.42 114.01 1kkt h ASP 349 Ca -0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1kkt h ASP 349 Cb 0.21 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.73 1kkt h ASP 349 CO 0.01 0.33 -1.35 -0.26 -1.03 0.00 0.00 179.24 176.93 1kkt h PHE 350 N 0.00 0.73 -1.00 4.15 0.04 -1.66 -3.12 116.94 116.08 1kkt h PHE 350 Ca -0.00 -0.53 0.04 0.00 2.80 0.00 0.00 57.97 60.27 1kkt h PHE 350 Cb 0.63 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.69 1kkt h PHE 350 CO 0.00 1.52 0.65 0.82 -0.60 0.00 0.00 178.31 180.71 1kkt h ILE 351 N -0.07 1.16 -0.10 -0.55 2.04 -1.34 0.16 117.51 118.81 1kkt h ILE 351 Ca -0.25 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 1kkt h ILE 351 Cb 1.95 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1kkt h ILE 351 CO 0.19 0.23 -0.45 0.44 0.00 0.00 0.00 178.15 178.56 1kkt h ASP 352 N 1.25 0.26 0.10 1.72 3.32 -1.47 -2.33 116.42 119.28 1kkt h ASP 352 Ca 0.40 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 57.08 1kkt h ASP 352 Cb 0.02 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.51 1kkt h ASP 352 CO -0.13 0.68 -1.00 0.15 -1.72 0.00 0.00 179.24 177.22 1kkt h PHE 353 N 0.20 0.91 -0.15 4.55 3.57 -1.27 -2.91 116.94 121.85 1kkt h PHE 353 Ca 0.01 -0.49 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1kkt h PHE 353 Cb 0.88 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1kkt h PHE 353 CO 0.02 1.32 -0.05 0.78 -2.23 0.00 0.00 178.31 178.15 1kkt h GLY 354 N 0.67 0.24 2.00 2.40 0.00 -0.61 -1.09 103.07 106.68 1kkt h GLY 354 Ca -0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1kkt h GLY 354 CO 0.19 0.12 -0.54 1.41 0.00 0.00 0.00 176.54 177.72 1kkt h LEU 355 N 0.22 0.00 -0.06 3.11 3.38 -1.36 -1.60 115.31 119.00 1kkt h LEU 355 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1kkt h LEU 355 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1kkt h LEU 355 CO 0.01 0.54 -0.07 -0.33 0.09 0.00 0.00 178.44 178.68 1kkt h GLU 356 N 0.00 0.15 -0.16 1.13 5.08 -1.03 -1.99 114.58 117.76 1kkt h GLU 356 Ca -0.01 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1kkt h GLU 356 Cb 1.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1kkt h GLU 356 CO 0.07 0.62 0.11 -0.07 -1.00 0.00 0.00 179.01 178.74 1kkt h LEU 357 N -0.32 0.12 -0.34 1.33 3.38 -1.25 -0.45 115.31 117.79 1kkt h LEU 357 Ca 0.01 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1kkt h LEU 357 Cb 0.60 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1kkt h LEU 357 CO 0.02 0.09 -0.24 0.58 0.09 0.00 0.00 178.44 178.97 1kkt h VAL 358 N 0.15 1.29 -0.58 1.22 2.07 -1.11 -2.38 116.25 116.90 1kkt h VAL 358 Ca 0.07 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 1kkt h VAL 358 Cb 0.08 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1kkt h VAL 358 CO -0.01 0.45 0.09 0.44 0.02 0.00 0.00 177.57 178.56 1kkt h ASP 359 N 0.54 0.93 -0.19 0.57 3.32 -0.49 -0.26 116.42 120.84 1kkt h ASP 359 Ca 0.07 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1kkt h ASP 359 Cb 0.80 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1kkt h ASP 359 CO 0.07 0.96 -0.07 1.23 -1.72 0.00 0.00 179.24 179.71 1kkt h GLY 360 N 0.87 0.11 1.56 2.75 0.00 -1.03 0.55 103.07 107.87 1kkt h GLY 360 Ca 0.18 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 1kkt h GLY 360 CO 0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 176.54 176.29 1kkt h GLU 362 N 0.48 0.00 -0.43 0.00 4.57 -0.30 -2.38 114.58 116.51 1kkt h GLU 362 Ca 0.08 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 1kkt h GLU 362 Cb 0.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1kkt h GLU 362 CO 0.04 0.20 -0.25 0.00 -1.18 0.00 0.00 179.01 177.81 1kkt h ALA 363 N 1.80 0.62 0.00 2.92 0.00 0.04 -2.08 119.26 122.56 1kkt h ALA 363 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1kkt h ALA 363 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kkt h ALA 363 CO 0.03 0.63 -0.09 1.79 0.00 0.00 0.00 179.25 181.60 1kkt h THR 364 N 0.77 0.39 0.00 0.00 1.35 -1.24 -2.80 112.91 111.39 1kkt h THR 364 Ca 0.09 -0.51 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 1kkt h THR 364 Cb 0.83 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1kkt h THR 364 CO 0.07 0.09 -0.32 1.88 -0.25 0.00 0.00 175.52 176.99 1kkt h TYR 365 N 0.00 0.00 0.00 4.73 -1.99 -1.34 -3.33 116.97 115.04 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 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1kkt h TYR 365 CO 0.00 0.58 0.00 0.27 -0.00 0.00 0.00 178.16 179.01 1kkt n ASN 366 N -4.63 0.00 -0.08 3.88 0.23 -0.81 -2.87 115.26 110.97 1kkt n ASN 366 Ca -0.10 -1.75 0.09 0.00 -0.53 0.00 0.00 54.58 52.29 1kkt n ASN 366 Cb 0.32 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.61 1.06 -4.96 0.53 7.64 -1.06 -4.94 113.62 111.28 1kkt n SER 367 Ca 0.05 -1.03 -0.22 0.00 1.01 0.00 0.00 58.87 58.68 1kkt n SER 367 Cb 0.02 0.90 0.01 0.00 -1.01 0.00 0.00 64.21 64.14 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 -2.64 3.84 0.09 0.44 -4.23 -1.19 -5.01 115.64 106.93 1kkt s THR 368 Ca 0.09 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 59.76 1kkt s THR 368 Cb 0.14 -3.41 -0.15 0.00 1.34 0.00 0.00 72.50 70.42 1kkt s THR 368 CO 0.71 -0.28 1.67 0.25 -0.54 0.00 0.00 174.62 176.42 1kkt h LEU 369 N 0.39 -0.49 -0.12 4.79 6.46 -1.77 -2.90 115.31 121.68 1kkt h LEU 369 Ca -0.46 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1kkt h LEU 369 Cb 1.26 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1kkt h LEU 369 CO 0.56 -0.31 0.00 0.35 -0.62 0.00 0.00 178.44 178.42 1kkt n THR 370 N -5.32 0.51 -2.04 1.05 -2.24 -0.87 -4.91 114.28 100.47 1kkt n THR 370 Ca -0.10 0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1kkt n THR 370 Cb 0.23 -0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.82 -0.21 -4.71 -0.78 4.01 -1.10 -4.82 118.16 108.74 1kkt n LYS 371 Ca 0.05 0.13 -0.24 0.00 -0.51 0.00 0.00 58.31 57.74 1kkt n LYS 371 Cb 0.31 -3.77 -0.16 0.00 -0.51 0.00 0.00 35.03 30.90 1kkt n LYS 371 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1kkt s ILE 372 N -2.13 1.23 0.64 -0.18 1.01 -1.14 -4.58 121.20 116.06 1kkt s ILE 372 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1kkt s ILE 372 Cb 0.00 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1kkt s ILE 372 CO 0.00 0.36 1.04 -0.83 0.00 0.00 0.00 174.94 175.51 1kkt s GLY 373 N -0.07 1.72 0.73 6.18 0.00 -1.25 -4.68 107.32 109.95 1kkt s GLY 373 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 1kkt s GLY 373 CO 0.01 0.33 1.08 2.56 0.00 0.00 0.00 173.10 177.07 1kkt s PRO 374 N -4.97 2.68 0.37 2.90 0.04 -1.26 -4.78 135.00 129.98 1kkt s PRO 374 Ca 0.57 0.72 0.18 0.00 0.04 0.00 0.00 61.00 62.51 1kkt s PRO 374 Cb -0.13 -1.98 0.68 0.00 0.04 0.00 0.00 34.50 33.12 1kkt s PRO 374 CO 0.52 -1.22 1.74 0.22 0.04 0.00 0.00 177.00 178.30 1kkt h ASP 375 N -0.80 0.00 -4.70 6.66 3.58 -0.92 -3.38 116.42 116.86 1kkt h ASP 375 Ca -0.45 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 1kkt h ASP 375 Cb 1.24 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.09 1kkt h ASP 375 CO 0.60 0.39 0.07 -0.94 -2.88 0.00 0.00 179.24 176.48 1kkt s SER 376 N -6.51 -0.59 0.27 2.28 1.04 -1.20 -0.97 113.70 108.02 1kkt s SER 376 Ca -0.00 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 1kkt s SER 376 Cb 0.12 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.95 1kkt s SER 376 CO 0.69 -0.47 0.43 -1.66 0.98 0.00 0.00 173.24 173.21 1kkt s TRP 377 N -0.77 0.68 0.17 5.02 -2.14 -0.64 -0.98 118.94 120.27 1kkt s TRP 377 Ca -0.08 -0.99 -0.09 0.00 2.66 0.00 0.00 56.10 57.60 1kkt s TRP 377 Cb -0.02 0.01 -0.01 0.00 -3.10 0.00 0.00 33.47 30.35 1kkt s TRP 377 CO 0.06 -0.99 0.28 0.20 -2.66 0.00 0.00 176.95 173.84 1kkt s GLY 378 N -3.10 0.53 0.00 3.67 0.00 -0.81 -1.22 107.32 106.39 1kkt s GLY 378 Ca 0.27 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1kkt s GLY 378 CO 0.13 -0.86 1.01 -2.67 0.00 0.00 0.00 173.10 170.71 1kkt n TRP 379 N -0.22 0.00 -2.38 1.90 2.14 -0.53 -1.62 117.44 116.73 1kkt n TRP 379 Ca -0.07 -0.13 -0.43 0.00 2.07 0.00 0.00 57.50 58.94 1kkt n TRP 379 Cb 0.63 -0.04 -0.02 0.00 -0.81 0.00 0.00 31.31 31.06 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 -1.18 6.53 0.42 -0.67 3.68 -1.23 -4.65 116.67 119.57 1kkt s ASP 380 Ca 0.08 1.09 0.14 0.00 2.13 0.00 0.00 52.55 55.99 1kkt s ASP 380 Cb 0.09 -2.54 1.01 0.00 -1.45 0.00 0.00 42.92 40.04 1kkt s ASP 380 CO -0.04 -1.23 1.95 -0.65 0.13 0.00 0.00 175.17 175.33 1kkt h PRO 381 N 9.91 0.43 0.00 4.34 0.11 -1.97 -1.17 132.00 143.66 1kkt h PRO 381 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1kkt h PRO 381 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1kkt h PRO 381 CO 1.05 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 180.76 1kkt n LYS 382 N -4.48 0.71 -0.67 1.05 5.02 -1.26 -3.59 118.16 114.95 1kkt n LYS 382 Ca 0.12 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1kkt n LYS 382 Cb 0.43 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.05 0.22 -2.28 1.97 5.02 -0.45 -5.06 118.16 116.52 1kkt n LYS 383 Ca 0.18 -1.50 -0.43 0.00 -2.02 0.00 0.00 58.31 54.54 1kkt n LYS 383 Cb 0.11 -0.56 -0.02 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.48 3.89 0.33 -0.18 1.01 -1.15 -4.96 120.40 118.87 1kkt s VAL 384 Ca 0.13 0.98 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 1kkt s VAL 384 Cb 0.13 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 1kkt s VAL 384 CO -0.04 -0.49 1.02 -2.65 0.00 0.00 0.00 175.10 172.94 1kkt n PRO 385 N 7.71 1.40 -0.07 2.72 -0.02 -1.26 -4.79 135.00 140.68 1kkt n PRO 385 Ca 0.17 0.49 0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1kkt n PRO 385 Cb 0.47 -1.93 0.36 0.00 -0.02 0.00 0.00 33.50 32.37 1kkt n PRO 385 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1kkt h SER 386 N 1.88 0.61 0.48 2.55 0.02 -2.00 -1.48 113.55 115.60 1kkt h SER 386 Ca -0.41 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1kkt h SER 386 Cb 1.34 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1kkt h SER 386 CO 0.59 0.45 -0.02 -0.90 -1.14 0.00 0.00 176.83 175.82 1kkt n ASP 387 N -4.44 0.09 -0.04 3.07 5.75 -1.26 -3.30 116.55 116.42 1kkt n ASP 387 Ca 0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1kkt n ASP 387 Cb 0.06 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.20 1.05 -0.23 0.11 6.02 -0.65 -4.77 117.38 117.71 1kkt n GLN 388 Ca 0.15 -1.04 0.04 0.00 -0.01 0.00 0.00 57.00 56.14 1kkt n GLN 388 Cb 0.24 -1.02 0.16 0.00 1.02 0.00 0.00 30.24 30.63 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 0.15 0.29 -0.15 -1.09 3.11 -1.31 0.76 116.57 118.33 1kkt h LYS 389 Ca 0.00 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.67 1kkt h LYS 389 Cb 0.27 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1kkt h LYS 389 CO 0.00 0.19 -0.56 0.93 -2.81 0.00 0.00 179.45 177.19 1kkt h GLU 390 N 0.29 0.46 0.46 1.90 5.08 -1.86 -1.44 114.58 119.48 1kkt h GLU 390 Ca 0.38 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1kkt h GLU 390 Cb 0.61 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1kkt h GLU 390 CO -0.46 0.90 -0.22 0.35 -1.00 0.00 0.00 179.01 178.58 1kkt h PHE 391 N 0.35 -0.58 -0.73 4.33 3.57 -1.54 -2.54 116.94 119.80 1kkt h PHE 391 Ca 0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1kkt h PHE 391 Cb 1.09 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 1kkt h PHE 391 CO 0.04 -0.29 0.49 -0.92 -2.23 0.00 0.00 178.31 175.40 1kkt h TYR 392 N -0.77 0.46 -0.23 0.41 3.20 -0.91 0.49 116.97 119.62 1kkt h TYR 392 Ca -0.06 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.87 1kkt h TYR 392 Cb 0.55 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1kkt h TYR 392 CO -0.01 0.18 -0.15 1.49 -1.64 0.00 0.00 178.16 178.03 1kkt h GLU 393 N 0.40 -0.13 0.03 1.82 4.57 -0.82 -0.96 114.58 119.48 1kkt h GLU 393 Ca 0.35 0.01 -0.39 0.00 -1.18 0.00 0.00 59.36 58.15 1kkt h GLU 393 Cb 0.82 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.39 1kkt h GLU 393 CO -0.11 -0.09 -2.32 0.36 -1.18 0.00 0.00 179.01 175.68 1kkt n LYS 394 N -5.31 0.66 -0.29 1.92 2.85 -0.81 -4.48 118.16 112.70 1kkt n LYS 394 Ca -0.01 0.22 -0.06 0.00 -1.05 0.00 0.00 58.31 57.41 1kkt n LYS 394 Cb 0.22 -1.57 0.06 0.00 -0.65 0.00 0.00 35.03 33.10 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 -0.20 1.02 0.00 0.58 0.00 -0.14 -3.47 119.26 117.05 1kkt h ALA 395 Ca -0.56 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1kkt h ALA 395 Cb 1.84 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1kkt h ALA 395 CO -0.12 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1kkt n GLY 396 N -0.90 0.91 3.68 0.00 0.00 -0.36 -4.96 105.19 103.56 1kkt n GLY 396 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.11 0.00 1.61 -0.12 -1.25 -4.78 117.98 111.33 1kkt s PHE 397 Ca 0.00 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 1kkt s PHE 397 Cb 0.00 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1kkt s PHE 397 CO 0.00 -0.56 -0.17 1.52 -0.05 0.00 0.00 175.22 175.96 1kkt s TYR 398 N -2.90 1.50 -0.04 3.49 -0.85 -0.64 -3.37 117.35 114.54 1kkt s TYR 398 Ca 0.12 -0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 1kkt s TYR 398 Cb 0.01 -0.94 -0.05 0.00 0.38 0.00 0.00 41.96 41.36 1kkt s TYR 398 CO -0.01 -0.00 1.42 0.42 -1.52 0.00 0.00 175.55 175.86 1kkt s ILE 399 N -0.50 3.79 -0.15 -3.49 1.01 -1.26 -1.93 121.20 118.67 1kkt s ILE 399 Ca 0.06 1.10 0.22 0.00 0.00 0.00 0.00 60.65 62.03 1kkt s ILE 399 Cb -0.07 -3.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.55 1kkt s ILE 399 CO -0.00 -0.04 0.80 -0.24 0.00 0.00 0.00 174.94 175.47 1kkt n SER 400 N 5.92 0.52 -3.26 3.58 2.88 -0.15 -4.83 113.62 118.27 1kkt n SER 400 Ca 0.14 0.20 0.03 0.00 -1.33 0.00 0.00 58.87 57.91 1kkt n SER 400 Cb 0.44 1.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.91 1kkt n SER 400 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1kkt s SER 401 N -5.06 -1.03 -0.13 -3.46 0.15 -0.98 -4.93 113.70 98.26 1kkt s SER 401 Ca -0.04 0.84 0.08 0.00 0.70 0.00 0.00 55.95 57.53 1kkt s SER 401 Cb 0.11 1.94 0.45 0.00 -1.71 0.00 0.00 66.02 66.82 1kkt s SER 401 CO 0.84 -0.19 1.19 0.61 1.20 0.00 0.00 173.24 176.89 1kkt n GLY 402 N 5.39 2.29 3.88 9.45 0.00 -1.26 -1.51 105.19 123.42 1kkt n GLY 402 Ca -0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.44 6.52 -0.17 1.61 1.04 -1.01 0.11 113.70 121.35 1kkt s SER 403 Ca 0.30 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1kkt s SER 403 Cb 0.23 -2.26 0.05 0.00 0.10 0.00 0.00 66.02 64.14 1kkt s SER 403 CO 0.09 -0.30 -0.02 -0.47 0.98 0.00 0.00 173.24 173.52 1kkt s TYR 404 N -2.22 1.49 -0.71 5.02 5.04 -0.18 -2.43 117.35 123.36 1kkt s TYR 404 Ca 0.49 -1.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.09 1kkt s TYR 404 Cb -0.10 -1.21 0.43 0.00 0.35 0.00 0.00 41.96 41.42 1kkt s TYR 404 CO 0.29 -0.60 2.04 1.33 -1.34 0.00 0.00 175.55 177.27 1kkt n VAL 405 N 4.93 3.63 -3.42 3.14 0.24 -1.26 -1.73 118.33 123.85 1kkt n VAL 405 Ca -0.11 -3.25 -0.24 0.00 -2.04 0.00 0.00 64.34 58.71 1kkt n VAL 405 Cb 0.47 -1.18 0.06 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 -0.82 -3.10 -4.81 1.34 4.77 -1.26 -4.81 117.00 108.30 1kkt n LEU 406 Ca 0.61 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.79 1kkt n LEU 406 Cb 0.56 -2.99 -0.03 0.00 -2.33 0.00 0.00 43.42 38.63 1kkt n LEU 406 CO 0.73 0.50 0.69 -0.13 -1.33 0.00 0.00 177.39 177.86 1kkt s ARG 407 N -6.13 3.81 -0.00 3.23 0.52 -1.26 -4.63 118.95 114.48 1kkt s ARG 407 Ca 0.50 1.19 0.15 0.00 -0.52 0.00 0.00 55.73 57.04 1kkt s ARG 407 Cb -0.22 -2.11 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 1kkt s ARG 407 CO 0.62 -0.40 0.57 -0.35 0.02 0.00 0.00 175.30 175.75 1kkt n PRO 408 N -1.27 1.82 -0.32 3.54 -0.04 -1.26 -4.76 135.00 132.71 1kkt n PRO 408 Ca 0.08 -0.03 0.23 0.00 -0.04 0.00 0.00 63.50 63.75 1kkt n PRO 408 Cb 0.53 -1.23 0.45 0.00 -0.04 0.00 0.00 33.50 33.22 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 0.00 0.12 0.13 0.54 3.07 -1.92 0.15 114.58 116.67 1kkt h GLU 409 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1kkt h GLU 409 Cb 0.41 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1kkt h GLU 409 CO 0.00 0.08 -0.06 0.28 -1.40 0.00 0.00 179.01 177.91 1kkt h VAL 410 N 0.12 1.04 -0.74 3.13 2.07 -1.80 -2.40 116.25 117.67 1kkt h VAL 410 Ca 0.72 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1kkt h VAL 410 Cb 1.71 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 33.10 1kkt h VAL 410 CO -0.74 0.23 0.49 0.40 0.02 0.00 0.00 177.57 177.98 1kkt h ILE 411 N -0.69 1.16 -0.21 4.57 2.04 -1.70 -1.94 117.51 120.74 1kkt h ILE 411 Ca -0.02 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1kkt h ILE 411 Cb 0.51 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1kkt h ILE 411 CO 0.03 0.18 -0.02 -0.08 0.00 0.00 0.00 178.15 178.25 1kkt h GLU 412 N 0.96 0.04 0.00 2.37 4.81 -0.67 -0.69 114.58 121.40 1kkt h GLU 412 Ca 0.28 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1kkt h GLU 412 Cb -0.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1kkt h GLU 412 CO -0.07 0.02 -0.38 0.77 -0.73 0.00 0.00 179.01 178.63 1kkt h SER 413 N 0.04 0.00 -0.34 1.04 0.02 -0.92 -2.54 113.55 110.84 1kkt h SER 413 Ca 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1kkt h SER 413 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1kkt h SER 413 CO -0.19 0.38 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.60 1kkt h PHE 414 N 0.00 0.68 -0.23 3.45 0.05 -0.77 -2.03 116.94 118.08 1kkt h PHE 414 Ca -0.00 -0.12 0.05 0.00 3.82 0.00 0.00 57.97 61.71 1kkt h PHE 414 Cb 0.72 -0.17 -0.05 0.00 2.00 0.00 0.00 35.95 38.45 1kkt h PHE 414 CO 0.00 0.73 -0.07 -0.92 -0.18 0.00 0.00 178.31 177.88 1kkt h TYR 415 N 0.42 -0.15 -0.75 -0.55 5.03 -0.75 -0.92 116.97 119.30 1kkt h TYR 415 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1kkt h TYR 415 Cb 0.47 0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.82 1kkt h TYR 415 CO 0.04 -0.11 0.41 1.88 -1.32 0.00 0.00 178.16 179.06 1kkt h TYR 416 N -0.02 1.01 -0.84 -3.82 -1.99 -1.37 -1.51 116.97 108.44 1kkt h TYR 416 Ca 0.11 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.83 1kkt h TYR 416 Cb 0.19 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 38.55 1kkt h TYR 416 CO -0.25 0.70 0.55 0.00 -0.00 0.00 0.00 178.16 179.16 1kkt h ALA 417 N 1.41 1.37 -0.09 3.88 0.00 -0.55 -0.28 119.26 125.00 1kkt h ALA 417 Ca 0.27 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1kkt h ALA 417 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1kkt h ALA 417 CO -0.04 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 180.71 1kkt h HIS 418 N 1.15 0.50 -0.75 0.00 -0.00 -0.54 -1.50 115.15 114.01 1kkt h HIS 418 Ca 0.31 -0.21 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1kkt h HIS 418 Cb -0.11 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1kkt h HIS 418 CO 0.00 0.93 0.32 0.00 -0.00 0.00 0.00 177.93 179.19 1kkt h ARG 419 N -0.07 1.09 -0.00 5.26 2.47 -1.07 0.75 114.38 122.81 1kkt h ARG 419 Ca -0.01 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 1kkt h ARG 419 Cb 0.95 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1kkt h ARG 419 CO 0.07 0.87 -0.07 0.28 0.56 0.00 0.00 179.97 181.67 1kkt h VAL 420 N 1.07 1.59 0.18 2.04 2.07 -1.08 -3.39 116.25 118.73 1kkt h VAL 420 Ca 0.25 -1.83 -0.34 0.00 0.82 0.00 0.00 66.70 65.61 1kkt h VAL 420 Cb 0.17 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1kkt h VAL 420 CO -0.03 0.48 -1.65 0.71 0.02 0.00 0.00 177.57 177.10 1kkt h THR 421 N -0.68 1.05 0.00 2.57 1.35 -1.31 -3.48 112.91 112.41 1kkt h THR 421 Ca -0.01 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1kkt h THR 421 Cb 0.83 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 1kkt h THR 421 CO 0.01 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1kkt n GLY 422 N 1.79 1.51 3.75 5.82 0.00 0.26 -5.02 105.19 113.30 1kkt n GLY 422 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1kkt n GLY 422 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kkt n LYS 423 N -2.00 2.68 0.23 1.61 4.76 -1.26 -4.91 118.16 119.27 1kkt n LYS 423 Ca 0.00 0.95 0.13 0.00 -2.87 0.00 0.00 58.31 56.52 1kkt n LYS 423 Cb 0.00 -2.72 0.34 0.00 -1.84 0.00 0.00 35.03 30.81 1kkt n LYS 423 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1kkt h GLU 424 N 4.38 0.00 -0.37 1.97 4.57 -1.95 -3.29 114.58 119.89 1kkt h GLU 424 Ca -0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1kkt h GLU 424 Cb 1.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1kkt h GLU 424 CO 0.76 0.06 0.20 0.97 -1.18 0.00 0.00 179.01 179.82 1kkt h ILE 425 N 0.00 1.12 -0.06 2.32 2.10 -2.00 -1.86 117.51 119.13 1kkt h ILE 425 Ca -0.00 -0.31 -0.15 0.00 1.08 0.00 0.00 64.86 65.48 1kkt h ILE 425 Cb 0.87 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 1kkt h ILE 425 CO 0.01 0.13 -0.61 1.88 -1.08 0.00 0.00 178.15 178.48 1kkt h TYR 426 N 0.51 0.27 -0.30 2.19 -1.99 -1.91 -2.02 116.97 113.72 1kkt h TYR 426 Ca 0.13 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 1kkt h TYR 426 Cb 0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 1kkt h TYR 426 CO 0.00 0.77 -0.28 -0.09 -0.00 0.00 0.00 178.16 178.56 1kkt h ARG 427 N 0.15 0.62 -0.51 4.88 2.43 -1.54 -2.71 114.38 117.70 1kkt h ARG 427 Ca -0.01 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1kkt h ARG 427 Cb 1.11 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1kkt h ARG 427 CO 0.09 0.83 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.92 1kkt h ASP 428 N 0.53 0.91 0.21 -3.80 3.45 -1.12 -2.20 116.42 114.41 1kkt h ASP 428 Ca 0.07 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.18 1kkt h ASP 428 Cb 0.75 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1kkt h ASP 428 CO 0.06 1.01 -0.13 -0.50 -1.57 0.00 0.00 179.24 178.12 1kkt h TRP 429 N 0.79 0.00 -0.10 4.55 6.55 -1.18 0.30 115.95 126.86 1kkt h TRP 429 Ca 0.14 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.88 1kkt h TRP 429 Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 1kkt h TRP 429 CO 0.04 0.13 -0.34 0.28 -1.05 0.00 0.00 178.44 177.50 1kkt h VAL 430 N 0.00 1.39 -0.53 1.49 2.07 -1.16 -2.73 116.25 116.79 1kkt h VAL 430 Ca -0.00 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1kkt h VAL 430 Cb 0.26 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1kkt h VAL 430 CO 0.02 0.49 0.19 -0.25 0.02 0.00 0.00 177.57 178.04 1kkt h TRP 431 N -0.03 0.82 -0.82 1.57 2.91 -0.77 -0.73 115.95 118.90 1kkt h TRP 431 Ca -0.01 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 1kkt h TRP 431 Cb 0.97 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.33 1kkt h TRP 431 CO 0.12 0.69 0.46 -0.91 -1.03 0.00 0.00 178.44 177.77 1kkt h ASN 432 N 0.72 1.00 -0.22 2.65 -0.26 -1.02 -0.67 115.58 117.78 1kkt h ASN 432 Ca 0.17 -0.07 -0.09 0.00 -0.56 0.00 0.00 56.30 55.75 1kkt h ASN 432 Cb 0.23 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1kkt h ASN 432 CO -0.01 0.79 -0.21 0.00 -1.06 0.00 0.00 177.43 176.93 1kkt h ALA 433 N 1.38 0.32 -0.93 -0.83 0.00 -1.19 -1.92 119.26 116.09 1kkt h ALA 433 Ca 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kkt h ALA 433 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1kkt h ALA 433 CO -0.05 0.27 0.59 0.35 0.00 0.00 0.00 179.25 180.40 1kkt h PHE 434 N 0.22 1.21 -0.26 0.00 3.57 -0.83 -0.37 116.94 120.48 1kkt h PHE 434 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1kkt h PHE 434 Cb 0.76 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1kkt h PHE 434 CO 0.08 0.78 -0.05 0.28 -2.23 0.00 0.00 178.31 177.17 1kkt h VAL 435 N 1.28 1.28 -0.41 1.41 2.07 -1.07 0.13 116.25 120.94 1kkt h VAL 435 Ca 0.34 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1kkt h VAL 435 Cb -0.09 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1kkt h VAL 435 CO -0.07 0.33 0.26 0.00 0.02 0.00 0.00 177.57 178.10 1kkt h ALA 436 N 0.77 0.52 -0.47 1.67 0.00 -1.03 -1.36 119.26 119.36 1kkt h ALA 436 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kkt h ALA 436 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1kkt h ALA 436 CO 0.02 -0.06 0.30 0.82 0.00 0.00 0.00 179.25 180.33 1kkt h ILE 437 N 0.52 1.13 -0.20 0.00 2.04 -0.97 -0.45 117.51 119.59 1kkt h ILE 437 Ca 0.16 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1kkt h ILE 437 Cb -0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1kkt h ILE 437 CO -0.06 0.13 -0.05 -1.13 0.00 0.00 0.00 178.15 177.05 1kkt h ASN 438 N 0.64 0.28 0.65 1.72 -1.24 -0.41 0.87 115.58 118.09 1kkt h ASN 438 Ca 0.17 -0.04 -0.15 0.00 0.71 0.00 0.00 56.30 56.99 1kkt h ASN 438 Cb -0.04 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1kkt h ASN 438 CO -0.04 0.37 -1.46 -1.54 -1.29 0.00 0.00 177.43 173.48 1kkt n SER 439 N -4.32 0.75 -0.01 1.15 3.41 -0.57 -3.54 113.62 110.49 1kkt n SER 439 Ca -0.00 0.32 -0.19 0.00 -0.26 0.00 0.00 58.87 58.74 1kkt n SER 439 Cb 0.22 0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 64.41 1kkt n SER 439 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1kkt n THR 440 N -2.81 1.74 0.58 6.66 -1.04 -0.20 -4.59 114.28 114.63 1kkt n THR 440 Ca -0.09 -0.68 0.10 0.00 -2.04 0.00 0.00 64.05 61.34 1kkt n THR 440 Cb 0.80 -1.59 -0.14 0.00 -1.82 0.00 0.00 70.33 67.59 1kkt n THR 440 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kkt s ARG 442 N -3.17 4.32 0.47 0.00 3.52 -1.23 -0.91 118.95 121.95 1kkt s ARG 442 Ca 0.02 2.19 0.02 0.00 -0.13 0.00 0.00 55.73 57.83 1kkt s ARG 442 Cb 0.15 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1kkt s ARG 442 CO 0.87 -0.35 0.07 0.95 -0.81 0.00 0.00 175.30 176.03 1kkt s THR 443 N 0.08 0.83 0.41 4.11 -4.23 0.11 -4.92 115.64 112.04 1kkt s THR 443 Ca 0.58 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1kkt s THR 443 Cb -0.39 -2.21 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1kkt s THR 443 CO 0.40 0.00 2.04 0.44 -0.54 0.00 0.00 174.62 176.96 1kkt h ASP 444 N 1.53 0.39 0.12 3.99 3.32 -1.96 -3.18 116.42 120.64 1kkt h ASP 444 Ca -0.39 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.35 1kkt h ASP 444 Cb 1.30 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 1kkt h ASP 444 CO 0.65 0.33 -2.15 -1.54 -1.72 0.00 0.00 179.24 174.80 1kkt n SER 445 N -4.44 0.18 0.00 6.45 3.41 -1.26 -4.92 113.62 113.04 1kkt n SER 445 Ca 0.02 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1kkt n SER 445 Cb 0.10 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 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 1.61 1.03 3.12 5.00 0.00 -1.20 -3.32 105.19 111.42 1kkt n GLY 446 Ca -0.24 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 1.90 1.11 0.14 1.61 0.08 -1.26 0.05 117.98 121.62 1kkt s PHE 447 Ca 0.00 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 56.78 1kkt s PHE 447 Cb 0.00 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 1kkt s PHE 447 CO 0.00 0.01 -0.14 0.00 -0.10 0.00 0.00 175.22 175.00 1kkt s ALA 448 N -0.77 1.58 0.59 5.36 0.00 -0.09 -4.45 121.76 123.98 1kkt s ALA 448 Ca 0.01 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 1kkt s ALA 448 Cb -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1kkt s ALA 448 CO 0.01 0.07 1.05 0.00 0.00 0.00 0.00 175.76 176.89 1kkt s ALA 449 N -2.46 2.76 0.14 0.00 0.00 -1.12 -4.65 121.76 116.43 1kkt s ALA 449 Ca 0.12 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.55 1kkt s ALA 449 Cb -0.03 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1kkt s ALA 449 CO 0.03 -0.79 -0.21 0.14 0.00 0.00 0.00 175.76 174.93 1kkt s VAL 450 N -2.47 1.89 0.08 0.00 -7.23 -0.71 0.05 120.40 112.02 1kkt s VAL 450 Ca 0.63 -1.77 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1kkt s VAL 450 Cb -0.16 -1.78 -0.21 0.00 0.56 0.00 0.00 36.38 34.79 1kkt s VAL 450 CO 0.37 -0.14 1.16 0.77 -0.31 0.00 0.00 175.10 176.95 1kkt h SER 451 N 3.64 0.00 -2.92 4.85 4.64 -0.66 -0.46 113.55 122.64 1kkt h SER 451 Ca -0.45 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.38 1kkt h SER 451 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 1kkt h SER 451 CO 0.45 0.99 -0.76 -0.62 -0.87 0.00 0.00 176.83 176.02 1kkt s ASP 452 N -6.58 2.84 0.00 4.97 -1.08 0.11 -2.41 116.67 114.51 1kkt s ASP 452 Ca -0.00 -0.90 0.15 0.00 -0.52 0.00 0.00 52.55 51.28 1kkt s ASP 452 Cb 0.10 -0.27 0.70 0.00 -1.46 0.00 0.00 42.92 41.99 1kkt s ASP 452 CO 0.82 -0.39 1.45 1.33 0.52 0.00 0.00 175.17 178.90 1kkt n VAL 453 N 5.27 0.77 -0.33 1.11 0.24 0.31 -2.46 118.33 123.24 1kkt n VAL 453 Ca -0.06 0.19 0.07 0.00 -2.04 0.00 0.00 64.34 62.50 1kkt n VAL 453 Cb 0.46 -0.94 0.21 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.39 3.37 -4.51 -1.34 5.15 -1.26 -2.05 115.26 113.23 1kkt n ASN 454 Ca 0.05 -2.14 -0.25 0.00 -0.60 0.00 0.00 54.58 51.65 1kkt n ASN 454 Cb 0.15 -0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 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 -1.25 1.81 0.26 1.20 1.02 -1.03 -4.44 119.74 117.30 1kkt s LYS 455 Ca 0.32 -1.62 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 1kkt s LYS 455 Cb 0.19 -1.89 -0.13 0.00 -0.52 0.00 0.00 37.83 35.47 1kkt s LYS 455 CO 0.19 0.36 1.48 0.00 -0.92 0.00 0.00 175.35 176.46 1kkt n ALA 456 N -0.46 1.63 -1.32 5.17 0.00 -1.26 -1.59 120.51 122.67 1kkt n ALA 456 Ca -0.07 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1kkt n ALA 456 Cb 0.59 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 -5.39 0.00 0.00 5.03 -1.26 -2.17 115.26 113.65 1kkt n ASN 457 Ca 0.11 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.83 1kkt n ASN 457 Cb 0.33 -3.86 0.00 0.00 -1.02 0.00 0.00 39.78 35.23 1kkt n ASN 457 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kkt n GLY 458 N -0.21 0.55 5.22 7.41 0.00 -0.62 -4.69 105.19 112.85 1kkt n GLY 458 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.61 1.51 3.33 -0.02 0.00 -0.92 0.06 105.19 106.54 1kkt n GLY 459 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 2.97 0.22 1.61 0.01 -1.26 -4.94 113.70 108.31 1kkt s SER 460 Ca 0.00 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 56.44 1kkt s SER 460 Cb 0.00 -0.22 -0.08 0.00 0.21 0.00 0.00 66.02 65.93 1kkt s SER 460 CO 0.00 0.17 0.67 -0.54 0.41 0.00 0.00 173.24 173.95 1kkt s LYS 461 N -1.66 4.12 0.24 12.44 1.02 -1.26 -0.64 119.74 134.00 1kkt s LYS 461 Ca 0.11 0.71 -0.04 0.00 0.02 0.00 0.00 55.97 56.76 1kkt s LYS 461 Cb -0.10 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1kkt s LYS 461 CO 0.04 0.37 0.49 0.71 -0.92 0.00 0.00 175.35 176.04 1kkt s TYR 462 N -1.60 3.47 -1.26 3.18 1.51 0.11 -4.93 117.35 117.84 1kkt s TYR 462 Ca 0.44 0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 57.01 1kkt s TYR 462 Cb -0.15 -2.05 0.17 0.00 -0.11 0.00 0.00 41.96 39.83 1kkt s TYR 462 CO 0.20 0.26 2.02 -3.47 -1.11 0.00 0.00 175.55 173.45 1kkt n ASP 463 N -0.65 6.44 -3.70 2.29 2.03 -1.26 -4.11 116.55 117.58 1kkt n ASP 463 Ca -0.02 -3.19 -0.12 0.00 0.52 0.00 0.00 54.79 51.98 1kkt n ASP 463 Cb 0.53 -1.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.44 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 0.25 -0.53 -0.33 1.67 3.84 -1.26 -4.70 114.94 113.88 1kkt s ASN 464 Ca 0.44 0.95 -0.01 0.00 0.21 0.00 0.00 52.86 54.45 1kkt s ASN 464 Cb 0.13 0.89 0.13 0.00 -0.55 0.00 0.00 41.25 41.85 1kkt s ASN 464 CO -0.03 -0.18 0.21 -1.58 -2.79 0.00 0.00 177.10 172.73 1kkt s GLN 465 N 0.85 0.45 0.58 0.43 0.74 -1.24 -2.79 119.66 118.68 1kkt s GLN 465 Ca -0.05 -1.04 -0.20 0.00 0.05 0.00 0.00 55.36 54.12 1kkt s GLN 465 Cb -0.06 -1.19 -0.04 0.00 1.10 0.00 0.00 33.01 32.83 1kkt s GLN 465 CO -0.07 -1.15 1.30 -1.21 -0.55 0.00 0.00 175.29 173.61 1kkt s GLU 466 N 1.41 2.96 0.60 1.67 0.41 -1.26 -4.51 118.70 119.98 1kkt s GLU 466 Ca 0.15 2.08 0.30 0.00 -0.41 0.00 0.00 54.97 57.10 1kkt s GLU 466 Cb -0.20 -2.08 1.78 0.00 -1.78 0.00 0.00 34.13 31.86 1kkt s GLU 466 CO -0.10 -1.29 2.19 0.66 -0.49 0.00 0.00 175.26 176.23 1kkt h SER 467 N 1.10 0.00 0.09 -0.19 4.64 -1.91 -1.49 113.55 115.79 1kkt h SER 467 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1kkt h SER 467 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1kkt h SER 467 CO 0.56 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.74 1kkt n PHE 468 N -3.75 0.00 -0.07 4.77 1.16 -1.26 -1.53 117.46 116.78 1kkt n PHE 468 Ca -0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.45 1kkt n PHE 468 Cb 0.20 -0.12 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 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 0.42 -0.12 5.98 7.12 -1.53 -0.63 115.31 126.55 1kkt h LEU 469 Ca 0.00 -0.38 -0.16 0.00 0.13 0.00 0.00 57.88 57.47 1kkt h LEU 469 Cb 0.04 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1kkt h LEU 469 CO 0.00 0.71 -0.54 -0.26 -0.13 0.00 0.00 178.44 178.21 1kkt h PHE 470 N 0.12 0.78 -0.15 1.25 -1.00 -1.49 -2.74 116.94 113.71 1kkt h PHE 470 Ca 0.05 -0.34 -0.21 0.00 2.81 0.00 0.00 57.97 60.28 1kkt h PHE 470 Cb 0.53 -0.12 0.01 0.00 3.61 0.00 0.00 35.95 39.98 1kkt h PHE 470 CO 0.06 1.13 -0.74 0.00 -1.61 0.00 0.00 178.31 177.14 1kkt h ALA 471 N 0.50 0.29 0.00 2.45 0.00 -1.50 -3.38 119.26 117.62 1kkt h ALA 471 Ca -0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1kkt h ALA 471 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kkt h ALA 471 CO 0.11 0.64 -0.38 0.39 0.00 0.00 0.00 179.25 180.01 1kkt n GLU 472 N -3.98 0.18 -0.18 0.00 1.02 -0.27 -4.27 120.64 113.14 1kkt n GLU 472 Ca -0.08 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1kkt n GLU 472 Cb 0.73 -0.82 0.04 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.34 0.37 -0.38 2.62 2.07 -1.53 -1.18 116.25 117.88 1kkt h VAL 473 Ca -0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 1kkt h VAL 473 Cb 0.37 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1kkt h VAL 473 CO -0.00 0.00 -0.37 0.24 0.02 0.00 0.00 177.57 177.45 1kkt h MET 474 N -0.05 0.90 0.46 1.57 2.86 -1.70 -2.77 114.93 116.20 1kkt h MET 474 Ca 0.26 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1kkt h MET 474 Cb 0.45 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1kkt h MET 474 CO -0.60 1.11 -0.22 -0.22 1.06 0.00 0.00 176.91 178.04 1kkt h LYS 475 N 0.74 -0.59 -0.81 1.72 3.64 -1.57 -1.69 116.57 117.99 1kkt h LYS 475 Ca 0.06 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1kkt h LYS 475 Cb 0.96 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1kkt h LYS 475 CO 0.09 -0.29 0.53 1.88 -2.27 0.00 0.00 179.45 179.39 1kkt h TYR 476 N -0.89 0.90 -0.63 1.91 0.99 -1.35 0.30 116.97 118.20 1kkt h TYR 476 Ca -0.06 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.60 1kkt h TYR 476 Cb 0.58 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1kkt h TYR 476 CO 0.01 0.47 0.04 0.77 -0.00 0.00 0.00 178.16 179.44 1kkt h SER 477 N 0.88 1.06 0.03 3.88 0.02 -1.47 -2.08 113.55 115.87 1kkt h SER 477 Ca 0.35 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1kkt h SER 477 Cb 0.24 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1kkt h SER 477 CO -0.13 1.09 -0.01 0.22 -1.14 0.00 0.00 176.83 176.86 1kkt h TYR 478 N 0.99 -0.04 -0.92 3.45 3.20 -0.30 -3.27 116.97 120.09 1kkt h TYR 478 Ca 0.18 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.19 1kkt h TYR 478 Cb 0.52 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 1kkt h TYR 478 CO 0.04 0.48 0.53 -0.07 -1.64 0.00 0.00 178.16 177.50 1kkt h LEU 479 N -0.58 0.71 -2.56 2.82 4.07 -0.42 -0.58 115.31 118.77 1kkt h LEU 479 Ca -0.00 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.04 1kkt h LEU 479 Cb 0.54 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1kkt h LEU 479 CO 0.01 0.33 0.10 0.00 -1.08 0.00 0.00 178.44 177.80 1kkt h ALA 480 N 1.55 1.33 0.00 1.53 0.00 -1.42 -2.87 119.26 119.39 1kkt h ALA 480 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1kkt h ALA 480 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1kkt h ALA 480 CO -0.32 -0.13 0.00 0.72 0.00 0.00 0.00 179.25 179.52 1kkt n HIS 481 N -3.33 0.00 -2.52 0.00 8.25 -0.47 -4.96 115.22 112.19 1kkt n HIS 481 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1kkt n HIS 481 Cb 0.18 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.15 4.63 0.61 0.41 1.04 -0.35 -4.40 113.70 115.49 1kkt s SER 482 Ca 0.00 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 1kkt s SER 482 Cb 0.00 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 1kkt s SER 482 CO 0.00 -1.65 1.08 -1.83 0.98 0.00 0.00 173.24 171.82 1kkt s GLU 483 N -5.08 3.13 0.79 4.02 -1.05 -1.26 -4.98 118.70 114.28 1kkt s GLU 483 Ca 0.63 1.33 -0.14 0.00 -0.15 0.00 0.00 54.97 56.64 1kkt s GLU 483 Cb -0.07 -2.00 0.05 0.00 -0.44 0.00 0.00 34.13 31.66 1kkt s GLU 483 CO 0.43 -0.97 1.00 -3.47 0.95 0.00 0.00 175.26 173.19 1kkt n ASP 484 N -2.07 0.36 -3.47 0.83 4.64 -1.26 -4.99 116.55 110.60 1kkt n ASP 484 Ca 0.10 0.59 -0.03 0.00 -1.38 0.00 0.00 54.79 54.06 1kkt n ASP 484 Cb 0.52 -1.42 0.01 0.00 -1.04 0.00 0.00 41.12 39.19 1kkt n ASP 484 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kkt s ALA 485 N -2.04 -1.67 0.25 -1.67 0.00 -1.26 -5.01 121.76 110.36 1kkt s ALA 485 Ca 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1kkt s ALA 485 Cb -0.30 0.72 0.32 0.00 0.00 0.00 0.00 23.12 23.85 1kkt s ALA 485 CO 0.53 -1.06 1.67 0.00 0.00 0.00 0.00 175.76 176.90 1kkt h ALA 486 N 2.00 1.00 0.00 0.00 0.00 -1.99 -2.67 119.26 117.60 1kkt h ALA 486 Ca -0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1kkt h ALA 486 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kkt h ALA 486 CO 0.33 0.60 0.00 -2.67 0.00 0.00 0.00 179.25 177.51 1kkt n TRP 487 N -4.10 0.00 -2.74 0.00 2.14 -1.26 -4.27 117.44 107.22 1kkt n TRP 487 Ca -0.00 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.18 1kkt n TRP 487 Cb 0.44 -0.34 -0.06 0.00 -0.81 0.00 0.00 31.31 30.53 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 -2.68 4.73 0.35 -2.67 -1.52 -1.01 -4.95 119.66 111.92 1kkt s GLN 488 Ca 0.17 1.45 -0.28 0.00 -1.95 0.00 0.00 55.36 54.75 1kkt s GLN 488 Cb 0.13 -3.09 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 1kkt s GLN 488 CO 0.32 0.40 1.42 0.08 -0.25 0.00 0.00 175.29 177.26 1kkt s VAL 489 N -1.34 2.33 0.44 1.09 1.01 -1.26 -4.88 120.40 117.79 1kkt s VAL 489 Ca 0.45 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1kkt s VAL 489 Cb -0.24 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1kkt s VAL 489 CO 0.30 0.08 0.01 -1.10 0.00 0.00 0.00 175.10 174.38 1kkt s GLN 490 N -1.90 2.03 0.38 2.72 -1.52 -1.26 -4.93 119.66 115.19 1kkt s GLN 490 Ca 0.52 -2.21 0.01 0.00 -1.95 0.00 0.00 55.36 51.73 1kkt s GLN 490 Cb -0.44 -1.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.77 1kkt s GLN 490 CO 0.58 -0.17 0.58 0.15 -0.25 0.00 0.00 175.29 176.19 1kkt s LYS 491 N -3.77 3.28 4.54 2.91 1.02 -1.26 -4.73 119.74 121.73 1kkt s LYS 491 Ca 0.25 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1kkt s LYS 491 Cb 0.07 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1kkt s LYS 491 CO 0.13 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1kkt n GLY 492 N -1.88 3.21 1.76 -3.33 0.00 -1.11 -1.82 105.19 102.03 1kkt n GLY 492 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 4.73 0.15 -0.02 0.00 -1.26 -4.04 105.19 104.75 1kkt n GLY 493 Ca 0.00 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.13 0.63 -2.02 1.61 5.02 -0.75 -4.93 118.16 116.58 1kkt n LYS 494 Ca 0.48 -0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 1kkt n LYS 494 Cb 1.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.86 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 -2.58 6.67 -0.00 4.39 -0.87 -1.26 -4.86 114.94 116.42 1kkt s ASN 495 Ca 0.24 2.53 0.04 0.00 -1.57 0.00 0.00 52.86 54.10 1kkt s ASN 495 Cb 0.19 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.77 1kkt s ASN 495 CO 0.53 -0.76 0.16 0.35 -2.57 0.00 0.00 177.10 174.81 1kkt n THR 496 N 3.79 0.00 -4.20 1.60 -2.24 -1.26 -4.95 114.28 107.02 1kkt n THR 496 Ca 0.12 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1kkt n THR 496 Cb 0.40 0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.71 1.30 -0.04 4.78 0.40 -1.26 -0.96 117.98 120.48 1kkt s PHE 497 Ca 0.01 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1kkt s PHE 497 Cb 0.03 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1kkt s PHE 497 CO 0.18 0.09 -0.07 0.54 0.70 0.00 0.00 175.22 176.66 1kkt s VAL 498 N -1.51 0.68 0.04 -0.44 0.11 0.88 -4.89 120.40 115.27 1kkt s VAL 498 Ca 0.01 -0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.54 1kkt s VAL 498 Cb -0.09 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1kkt s VAL 498 CO 0.02 0.25 0.92 -0.31 -3.33 0.00 0.00 175.10 172.65 1kkt s TYR 499 N 0.68 3.72 1.07 1.54 1.51 -1.26 0.29 117.35 124.90 1kkt s TYR 499 Ca -0.10 1.67 -0.18 0.00 -1.01 0.00 0.00 57.07 57.45 1kkt s TYR 499 Cb -0.13 -3.03 0.25 0.00 -0.11 0.00 0.00 41.96 38.94 1kkt s TYR 499 CO 0.01 0.12 1.28 0.54 -1.11 0.00 0.00 175.55 176.39 1kkt s ASN 500 N 0.45 2.17 0.00 2.29 4.22 -0.46 -4.89 114.94 118.73 1kkt s ASN 500 Ca 0.47 0.28 0.15 0.00 -2.14 0.00 0.00 52.86 51.62 1kkt s ASN 500 Cb -0.22 -0.31 0.75 0.00 1.28 0.00 0.00 41.25 42.76 1kkt s ASN 500 CO 0.27 -3.32 1.41 1.07 -2.04 0.00 0.00 177.10 174.49 1kkt n THR 501 N -4.16 0.58 -1.11 0.54 5.66 -1.26 -2.04 114.28 112.48 1kkt n THR 501 Ca 0.16 0.14 0.06 0.00 -3.05 0.00 0.00 64.05 61.37 1kkt n THR 501 Cb 0.59 -0.90 0.23 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.28 2.41 -2.19 1.09 4.07 -1.26 -4.96 120.64 118.52 1kkt n GLU 502 Ca 0.07 -2.87 -0.17 0.00 -0.06 0.00 0.00 57.16 54.13 1kkt n GLU 502 Cb 0.12 -1.78 -0.02 0.00 -0.06 0.00 0.00 31.44 29.70 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 -0.80 -0.46 -2.52 4.31 0.00 -0.87 -4.39 120.51 115.79 1kkt n ALA 503 Ca 0.23 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1kkt n ALA 503 Cb 0.88 -1.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.80 3.22 0.01 0.00 3.76 -1.26 -4.85 115.29 113.37 1kkt s HIS 504 Ca 0.00 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1kkt s HIS 504 Cb 0.00 -2.58 -0.06 0.00 1.11 0.00 0.00 32.58 31.05 1kkt s HIS 504 CO 0.00 -0.45 1.47 -2.14 -0.85 0.00 0.00 174.74 172.77 1kkt s PRO 505 N 1.82 4.25 -0.12 8.40 0.02 -1.26 -1.35 135.00 146.76 1kkt s PRO 505 Ca 0.08 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1kkt s PRO 505 Cb -0.17 -3.61 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 1kkt s PRO 505 CO 0.11 -0.63 -0.12 0.42 -0.33 0.00 0.00 177.00 176.44 1kkt s ILE 506 N 2.60 3.15 0.39 2.83 -1.09 0.15 -4.49 121.20 124.74 1kkt s ILE 506 Ca 0.67 -0.63 -0.27 0.00 -2.23 0.00 0.00 60.65 58.18 1kkt s ILE 506 Cb -0.33 -2.32 -0.11 0.00 -1.58 0.00 0.00 42.46 38.12 1kkt s ILE 506 CO 0.28 0.53 1.40 -0.24 -1.23 0.00 0.00 174.94 175.67 1kkt n SER 507 N 3.33 3.27 -4.78 3.58 2.88 -1.26 -0.08 113.62 120.55 1kkt n SER 507 Ca -0.18 1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 58.25 1kkt n SER 507 Cb 0.53 -1.57 0.11 0.00 -0.75 0.00 0.00 64.21 62.53 1kkt n SER 507 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1kkt s VAL 508 N -1.14 2.72 0.48 2.46 -7.23 -0.13 -4.81 120.40 112.75 1kkt s VAL 508 Ca 0.56 0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 60.73 1kkt s VAL 508 Cb -0.50 -2.93 -0.08 0.00 0.56 0.00 0.00 36.38 33.43 1kkt s VAL 508 CO 0.62 -0.30 1.17 0.00 -0.31 0.00 0.00 175.10 176.27 1kkt n ALA 509 N -3.61 0.88 -0.73 1.32 0.00 0.19 -5.04 120.51 113.51 1kkt n ALA 509 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1kkt n ALA 509 Cb 0.57 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1kkt n ALA 509 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04