#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0y s ILE 35 N 0.00 5.06 0.05 5.18 1.09 -1.26 -3.78 121.20 127.53 3k0y s ILE 35 Ca 0.00 1.27 0.08 0.00 -1.10 0.00 0.00 60.65 60.90 3k0y s ILE 35 Cb 0.00 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 3k0y s ILE 35 CO 0.00 0.21 -0.22 0.26 -0.10 0.00 0.00 174.94 175.08 3k0y s TRP 36 N 1.21 2.44 -0.10 3.97 0.52 -0.17 -4.99 118.94 121.81 3k0y s TRP 36 Ca 0.32 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.14 3k0y s TRP 36 Cb -0.16 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 3k0y s TRP 36 CO 0.14 0.21 -0.18 0.42 0.02 0.00 0.00 176.95 177.56 3k0y s ILE 37 N -0.89 1.64 0.08 2.03 1.01 -1.26 -1.65 121.20 122.16 3k0y s ILE 37 Ca 0.13 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 3k0y s ILE 37 Cb -0.10 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.95 3k0y s ILE 37 CO 0.04 0.47 0.46 0.00 0.00 0.00 0.00 174.94 175.91 3k0y s ALA 38 N 0.75 -1.15 -0.01 9.38 0.00 -0.87 -5.00 121.76 124.86 3k0y s ALA 38 Ca -0.11 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3k0y s ALA 38 Cb -0.16 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3k0y s ALA 38 CO 0.02 -0.56 0.85 0.08 0.00 0.00 0.00 175.76 176.15 3k0y s VAL 39 N -2.99 4.90 0.08 0.00 1.01 -1.26 -0.94 120.40 121.20 3k0y s VAL 39 Ca -0.02 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.79 3k0y s VAL 39 Cb 0.00 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3k0y s VAL 39 CO -0.06 0.22 -0.10 0.00 0.00 0.00 0.00 175.10 175.16 3k0y s ALA 40 N 0.76 1.01 -0.12 5.51 0.00 -0.33 -4.26 121.76 124.33 3k0y s ALA 40 Ca 0.45 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 3k0y s ALA 40 Cb -0.20 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3k0y s ALA 40 CO 0.24 -0.02 0.47 0.99 0.00 0.00 0.00 175.76 177.44 3k0y s THR 41 N -2.17 5.20 -0.13 0.00 2.01 -0.09 -0.95 115.64 119.51 3k0y s THR 41 Ca 0.02 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 3k0y s THR 41 Cb -0.05 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3k0y s THR 41 CO 0.00 0.33 1.00 -0.69 -0.69 0.00 0.00 174.62 174.57 3k0y s VAL 42 N 0.62 4.77 -0.31 3.82 1.01 -0.48 -0.26 120.40 129.57 3k0y s VAL 42 Ca 0.25 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.27 3k0y s VAL 42 Cb -0.15 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.00 3k0y s VAL 42 CO 0.10 -0.02 0.01 -0.69 0.00 0.00 0.00 175.10 174.50 3k0y s VAL 43 N 2.19 2.52 0.99 2.92 1.01 0.65 -4.19 120.40 126.49 3k0y s VAL 43 Ca 0.47 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 3k0y s VAL 43 Cb -0.18 -2.64 0.16 0.00 0.00 0.00 0.00 36.38 33.73 3k0y s VAL 43 CO 0.16 -0.32 0.99 -2.65 0.00 0.00 0.00 175.10 173.27 3k0y n PRO 44 N 4.43 -0.92 0.00 2.72 -0.02 -1.26 -1.23 135.00 138.72 3k0y n PRO 44 Ca -0.06 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 3k0y n PRO 44 Cb 0.42 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3k0y n PRO 44 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k0y n GLU 45 N -4.02 0.00 -3.63 -0.52 1.02 -0.02 -4.81 120.64 108.66 3k0y n GLU 45 Ca 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 3k0y n GLU 45 Cb 0.53 -0.31 -0.06 0.00 -0.02 0.00 0.00 31.44 31.58 3k0y n GLU 45 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3k0y s GLY 46 N -4.03 0.08 0.00 0.62 0.00 -1.23 -5.02 107.32 97.74 3k0y s GLY 46 Ca 0.00 2.96 0.00 0.00 0.00 0.00 0.00 44.72 47.68 3k0y s GLY 46 CO 0.00 1.64 0.00 0.70 0.00 0.00 0.00 173.10 175.44 3k0y n ASN 47 N 1.45 0.00 -1.24 1.64 4.13 -1.26 -0.39 115.26 119.59 3k0y n ASN 47 Ca -0.09 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.21 3k0y n ASN 47 Cb 0.57 0.00 0.28 0.00 -1.54 0.00 0.00 39.78 39.09 3k0y n ASN 47 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3k0y n ASN 48 N 5.98 4.12 -4.81 6.41 3.02 -1.26 -4.79 115.26 123.93 3k0y n ASN 48 Ca 0.00 -3.14 -0.39 0.00 -0.03 0.00 0.00 54.58 51.03 3k0y n ASN 48 Cb 0.00 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.50 3k0y n ASN 48 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k0y s VAL 49 N -2.91 4.78 0.04 2.41 1.01 0.48 -4.72 120.40 121.49 3k0y s VAL 49 Ca 0.46 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 3k0y s VAL 49 Cb 0.38 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.94 3k0y s VAL 49 CO 0.09 0.55 0.64 -0.72 0.00 0.00 0.00 175.10 175.66 3k0y s TYR 50 N -1.03 -0.60 0.43 5.22 1.13 -1.26 -0.84 117.35 120.41 3k0y s TYR 50 Ca 0.29 0.76 0.06 0.00 -1.41 0.00 0.00 57.07 56.77 3k0y s TYR 50 Cb -0.19 0.47 -0.06 0.00 -1.10 0.00 0.00 41.96 41.08 3k0y s TYR 50 CO 0.18 -0.71 0.07 1.52 -2.51 0.00 0.00 175.55 174.11 3k0y s TYR 51 N -2.32 2.42 -0.07 -3.49 -0.85 -0.37 -4.49 117.35 108.18 3k0y s TYR 51 Ca -0.06 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 55.84 3k0y s TYR 51 Cb -0.00 -1.81 -0.01 0.00 0.38 0.00 0.00 41.96 40.51 3k0y s TYR 51 CO -0.00 0.31 -0.21 -0.51 -1.52 0.00 0.00 175.55 173.62 3k0y s LEU 52 N -3.81 2.33 -0.24 -3.49 1.43 -0.21 -0.25 118.68 114.44 3k0y s LEU 52 Ca 0.33 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3k0y s LEU 52 Cb 0.07 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 3k0y s LEU 52 CO 0.17 0.24 0.01 -0.60 0.23 0.00 0.00 176.35 176.41 3k0y s ARG 53 N -0.12 3.44 0.65 1.70 3.52 0.64 -0.30 118.95 128.49 3k0y s ARG 53 Ca -0.04 -0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 3k0y s ARG 53 Cb -0.14 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 3k0y s ARG 53 CO 0.04 -0.22 0.99 -0.51 -0.81 0.00 0.00 175.30 174.78 3k0y s LEU 54 N 1.53 3.06 0.24 -0.88 1.43 0.00 -0.91 118.68 123.15 3k0y s LEU 54 Ca 0.06 0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 53.95 3k0y s LEU 54 Cb -0.15 -3.64 0.33 0.00 0.03 0.00 0.00 46.19 42.76 3k0y s LEU 54 CO -0.00 -1.23 1.83 0.44 0.23 0.00 0.00 176.35 177.62 3k0y h ASP 55 N -0.41 0.75 0.00 2.29 3.32 -1.89 -1.02 116.42 119.46 3k0y h ASP 55 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3k0y h ASP 55 Cb 1.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3k0y h ASP 55 CO 0.62 0.47 0.00 -0.90 -1.72 0.00 0.00 179.24 177.71 3k0y n ASP 56 N -4.68 0.26 0.00 6.45 5.75 -1.26 -4.21 116.55 118.86 3k0y n ASP 56 Ca 0.12 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3k0y n ASP 56 Cb 0.20 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3k0y n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k0y n GLY 57 N 0.24 2.32 3.75 6.12 0.00 -0.39 -5.02 105.19 112.21 3k0y n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k0y n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k0y n ASP 58 N 0.00 3.42 -4.87 1.61 8.00 -1.26 -4.66 116.55 118.79 3k0y n ASP 58 Ca 0.00 1.22 -0.37 0.00 0.71 0.00 0.00 54.79 56.35 3k0y n ASP 58 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.47 3k0y n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k0y s LYS 59 N -2.03 3.43 -0.09 -1.24 1.02 -1.26 -0.82 119.74 118.75 3k0y s LYS 59 Ca 0.54 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.42 3k0y s LYS 59 Cb -0.51 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 3k0y s LYS 59 CO 0.63 0.77 -0.17 -0.51 -0.92 0.00 0.00 175.35 175.16 3k0y s LEU 60 N -1.01 1.81 -0.29 3.17 1.43 0.59 -1.78 118.68 122.61 3k0y s LEU 60 Ca 0.15 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3k0y s LEU 60 Cb -0.12 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.05 3k0y s LEU 60 CO 0.04 0.07 0.04 0.26 0.23 0.00 0.00 176.35 176.99 3k0y s TRP 61 N 0.61 3.16 -0.25 0.29 0.51 0.86 -1.04 118.94 123.09 3k0y s TRP 61 Ca -0.15 -1.33 -0.28 0.00 -2.12 0.00 0.00 56.10 52.22 3k0y s TRP 61 Cb -0.16 -2.19 -0.03 0.00 -0.81 0.00 0.00 33.47 30.27 3k0y s TRP 61 CO 0.05 -0.68 1.91 -2.14 -0.51 0.00 0.00 176.95 175.58 3k0y s PRO 62 N 1.40 3.41 0.17 4.98 0.02 -1.26 -1.20 135.00 142.52 3k0y s PRO 62 Ca 0.00 1.75 0.14 0.00 0.02 0.00 0.00 61.00 62.92 3k0y s PRO 62 Cb -0.18 -4.22 -0.06 0.00 0.02 0.00 0.00 34.50 30.06 3k0y s PRO 62 CO 0.00 -1.77 1.18 0.00 -0.33 0.00 0.00 177.00 176.08 3k0y h ALA 63 N 13.02 0.62 -2.70 -1.55 0.00 -0.68 -3.46 119.26 124.51 3k0y h ALA 63 Ca -0.37 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 53.69 3k0y h ALA 63 Cb 1.19 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 3k0y h ALA 63 CO 1.00 0.87 -0.35 0.00 0.00 0.00 0.00 179.25 180.77 3k0y s ALA 64 N -2.89 0.36 -0.25 0.00 0.00 -1.04 -5.02 121.76 112.92 3k0y s ALA 64 Ca 0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 3k0y s ALA 64 Cb 0.08 1.15 0.07 0.00 0.00 0.00 0.00 23.12 24.43 3k0y s ALA 64 CO 0.78 -0.71 0.73 -0.08 0.00 0.00 0.00 175.76 176.48 3k0y s THR 65 N -4.06 0.00 -0.83 0.00 -1.32 -1.26 -2.09 115.64 106.07 3k0y s THR 65 Ca 0.28 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.03 3k0y s THR 65 Cb 0.03 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.29 3k0y s THR 65 CO 0.09 0.00 1.83 0.59 -2.21 0.00 0.00 174.62 174.92 3k0y n ASN 66 N 2.47 0.51 -3.76 8.08 3.02 -0.48 -4.49 115.26 120.61 3k0y n ASN 66 Ca -0.14 0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 3k0y n ASN 66 Cb 0.55 -0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 3k0y n ASN 66 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3k0y n TYR 67 N -1.97 3.52 0.47 3.10 4.02 -1.26 -4.94 117.16 120.09 3k0y n TYR 67 Ca 0.06 -4.13 0.11 0.00 -0.01 0.00 0.00 57.90 53.93 3k0y n TYR 67 Cb 0.39 -0.72 0.45 0.00 -0.02 0.00 0.00 39.34 39.44 3k0y n TYR 67 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3k0y n PRO 68 N 1.56 0.16 -0.56 -0.72 -0.04 -1.26 -2.47 135.00 131.66 3k0y n PRO 68 Ca 0.24 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 3k0y n PRO 68 Cb 0.37 -1.77 0.34 0.00 -0.04 0.00 0.00 33.50 32.40 3k0y n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k0y n ASN 69 N -2.06 4.47 -4.75 3.54 3.02 -1.26 -4.95 115.26 113.26 3k0y n ASN 69 Ca 0.03 -2.35 -0.41 0.00 -0.03 0.00 0.00 54.58 51.81 3k0y n ASN 69 Cb 0.25 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 3k0y n ASN 69 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3k0y s TYR 70 N -1.70 2.90 -0.44 3.10 5.04 -1.03 -4.98 117.35 120.23 3k0y s TYR 70 Ca 0.49 0.98 -0.11 0.00 -2.44 0.00 0.00 57.07 55.99 3k0y s TYR 70 Cb 0.31 -3.91 0.08 0.00 0.35 0.00 0.00 41.96 38.79 3k0y s TYR 70 CO 0.25 -2.95 0.31 -1.14 -1.34 0.00 0.00 175.55 170.68 3k0y s GLN 71 N -0.64 2.71 0.35 4.97 2.00 -1.26 -4.85 119.66 122.95 3k0y s GLN 71 Ca 0.59 -1.46 -0.27 0.00 -2.00 0.00 0.00 55.36 52.23 3k0y s GLN 71 Cb -0.44 -3.90 -0.09 0.00 0.80 0.00 0.00 33.01 29.38 3k0y s GLN 71 CO 0.47 -1.00 1.13 -1.25 -0.50 0.00 0.00 175.29 174.14 3k0y s PRO 72 N 1.48 4.30 0.10 1.67 0.04 -1.26 -5.04 135.00 136.30 3k0y s PRO 72 Ca 0.03 1.79 0.08 0.00 0.04 0.00 0.00 61.00 62.94 3k0y s PRO 72 Cb -0.24 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3k0y s PRO 72 CO 0.03 -0.09 -0.20 0.15 0.04 0.00 0.00 177.00 176.93 3k0y s LYS 73 N -2.01 1.12 0.38 4.56 1.02 -1.26 -4.89 119.74 118.65 3k0y s LYS 73 Ca 0.52 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.08 3k0y s LYS 73 Cb -0.30 -1.36 -0.09 0.00 -0.52 0.00 0.00 37.83 35.56 3k0y s LYS 73 CO 0.38 0.31 1.31 -1.25 -0.92 0.00 0.00 175.35 175.19 3k0y s PRO 74 N -1.95 4.11 -1.22 -1.68 0.04 -1.26 -3.88 135.00 129.15 3k0y s PRO 74 Ca 0.07 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 3k0y s PRO 74 Cb -0.10 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3k0y s PRO 74 CO 0.04 -0.39 1.04 0.09 0.04 0.00 0.00 177.00 177.83 3k0y n ASN 75 N 0.37 -3.98 -4.10 6.66 4.13 -1.26 -5.00 115.26 112.08 3k0y n ASN 75 Ca 0.02 -0.56 -0.26 0.00 1.68 0.00 0.00 54.58 55.46 3k0y n ASN 75 Cb 0.43 -4.90 -0.16 0.00 -1.54 0.00 0.00 39.78 33.60 3k0y n ASN 75 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3k0y s GLN 76 N -5.75 1.89 0.25 3.52 2.00 -1.25 -4.86 119.66 115.46 3k0y s GLN 76 Ca 0.26 -0.56 0.05 0.00 -2.00 0.00 0.00 55.36 53.12 3k0y s GLN 76 Cb -0.12 -1.57 -0.03 0.00 0.80 0.00 0.00 33.01 32.10 3k0y s GLN 76 CO 0.70 0.14 0.35 1.03 -0.50 0.00 0.00 175.29 177.01 3k0y s ARG 77 N 0.33 3.32 -0.01 1.67 0.52 -1.26 -1.38 118.95 122.14 3k0y s ARG 77 Ca -0.10 -0.84 -0.15 0.00 -0.52 0.00 0.00 55.73 54.12 3k0y s ARG 77 Cb -0.14 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.53 3k0y s ARG 77 CO 0.04 0.38 0.31 0.00 0.02 0.00 0.00 175.30 176.05 3k0y s ALA 78 N -2.03 -0.79 -0.28 2.13 0.00 -0.13 -1.16 121.76 119.49 3k0y s ALA 78 Ca 0.35 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 3k0y s ALA 78 Cb -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3k0y s ALA 78 CO 0.29 -0.26 0.80 -1.17 0.00 0.00 0.00 175.76 175.41 3k0y s LEU 79 N -1.33 4.08 -0.12 0.00 2.96 0.52 -1.19 118.68 123.59 3k0y s LEU 79 Ca -0.14 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3k0y s LEU 79 Cb -0.05 -3.11 -0.00 0.00 0.50 0.00 0.00 46.19 43.52 3k0y s LEU 79 CO 0.04 -0.58 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.61 3k0y s VAL 80 N 2.92 2.44 -0.34 1.68 1.01 -0.11 -0.55 120.40 127.45 3k0y s VAL 80 Ca 0.33 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3k0y s VAL 80 Cb -0.14 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 3k0y s VAL 80 CO 0.11 0.54 0.19 0.21 0.00 0.00 0.00 175.10 176.15 3k0y s ASN 81 N 0.51 5.74 0.06 3.32 3.84 -0.52 -2.04 114.94 125.85 3k0y s ASN 81 Ca -0.12 -0.61 0.01 0.00 0.21 0.00 0.00 52.86 52.34 3k0y s ASN 81 Cb -0.17 -2.05 -0.03 0.00 -0.55 0.00 0.00 41.25 38.45 3k0y s ASN 81 CO 0.05 -0.26 -0.05 0.72 -2.79 0.00 0.00 177.10 174.77 3k0y s PHE 82 N 1.63 0.63 -0.11 0.43 -0.71 -0.66 0.32 117.98 119.51 3k0y s PHE 82 Ca 0.04 -0.84 0.03 0.00 -1.04 0.00 0.00 56.93 55.12 3k0y s PHE 82 Cb -0.18 -0.40 0.01 0.00 -1.21 0.00 0.00 43.02 41.24 3k0y s PHE 82 CO 0.08 -0.22 -0.20 0.99 -1.34 0.00 0.00 175.22 174.52 3k0y s THR 83 N -3.01 1.85 0.07 -4.49 2.01 -0.55 -1.00 115.64 110.51 3k0y s THR 83 Ca 0.02 -0.87 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 3k0y s THR 83 Cb 0.01 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 3k0y s THR 83 CO -0.05 0.51 1.22 -0.63 -0.69 0.00 0.00 174.62 174.98 3k0y s ILE 84 N 0.71 3.95 -0.16 1.82 -1.09 -1.25 -1.13 121.20 124.05 3k0y s ILE 84 Ca -0.11 1.40 0.16 0.00 -2.23 0.00 0.00 60.65 59.87 3k0y s ILE 84 Cb -0.16 -3.90 -0.22 0.00 -1.58 0.00 0.00 42.46 36.60 3k0y s ILE 84 CO 0.02 0.11 0.10 0.18 -1.23 0.00 0.00 174.94 174.11 3k0y n LEU 85 N 3.94 0.00 -3.64 2.97 4.77 -0.49 -4.93 117.00 119.62 3k0y n LEU 85 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 3k0y n LEU 85 Cb 0.46 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.87 3k0y n LEU 85 CO 0.56 0.39 0.81 0.00 -1.33 0.00 0.00 177.39 177.81 3k0y s ALA 86 N -2.51 -2.23 -0.06 -1.18 0.00 -1.23 -5.02 121.76 109.53 3k0y s ALA 86 Ca -0.08 2.01 0.05 0.00 0.00 0.00 0.00 51.96 53.93 3k0y s ALA 86 Cb 0.06 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 3k0y s ALA 86 CO 0.72 -0.28 -0.21 0.16 0.00 0.00 0.00 175.76 176.15 3k0y s ASP 87 N 0.79 3.38 0.00 0.00 -4.77 -1.26 -2.27 116.67 112.54 3k0y s ASP 87 Ca -0.03 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 3k0y s ASP 87 Cb -0.04 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.92 3k0y s ASP 87 CO -0.12 0.27 0.00 -1.20 0.70 0.00 0.00 175.17 174.82 3k0y n SER 97 N 2.82 0.00 -3.84 2.11 7.64 -1.23 -5.06 113.62 116.07 3k0y n SER 97 Ca -0.17 0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 3k0y n SER 97 Cb 0.52 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 3k0y n SER 97 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3k0y s HIS 98 N 0.00 0.09 0.00 1.43 0.09 -0.73 -4.99 115.29 111.18 3k0y s HIS 98 Ca 0.00 -0.42 -0.16 0.00 -0.00 0.00 0.00 55.06 54.49 3k0y s HIS 98 Cb 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 32.58 32.50 3k0y s HIS 98 CO 0.00 -0.51 0.43 0.71 -0.00 0.00 0.00 174.74 175.38 3k0y s TYR 99 N -3.31 3.73 0.13 1.40 2.02 -0.96 -0.10 117.35 120.26 3k0y s TYR 99 Ca 0.01 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 3k0y s TYR 99 Cb 0.02 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3k0y s TYR 99 CO -0.08 0.61 -0.02 0.96 -1.57 0.00 0.00 175.55 175.45 3k0y s ILE 100 N -0.98 0.58 -0.26 2.71 -4.36 -0.34 -1.40 121.20 117.15 3k0y s ILE 100 Ca 0.24 -1.94 -0.09 0.00 -0.26 0.00 0.00 60.65 58.60 3k0y s ILE 100 Cb -0.17 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 3k0y s ILE 100 CO 0.14 -0.65 0.13 -0.75 0.24 0.00 0.00 174.94 174.05 3k0y s LYS 101 N -3.90 3.85 -0.36 0.37 2.20 -0.28 0.11 119.74 121.72 3k0y s LYS 101 Ca 0.18 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 3k0y s LYS 101 Cb 0.06 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3k0y s LYS 101 CO -0.00 -0.13 1.42 0.08 -0.36 0.00 0.00 175.35 176.35 3k0y s VAL 102 N 1.55 3.93 -0.04 4.02 1.01 -0.89 -1.49 120.40 128.49 3k0y s VAL 102 Ca 0.06 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 3k0y s VAL 102 Cb -0.15 -4.13 -0.31 0.00 0.00 0.00 0.00 36.38 31.79 3k0y s VAL 102 CO 0.07 -0.63 0.78 0.78 0.00 0.00 0.00 175.10 176.09 3k0y h ASN 103 N 10.44 0.60 -5.05 3.32 2.35 -0.48 -1.26 115.58 125.49 3k0y h ASN 103 Ca -0.28 -0.92 -0.07 0.00 -0.55 0.00 0.00 56.30 54.49 3k0y h ASN 103 Cb 1.11 -0.19 -0.15 0.00 0.05 0.00 0.00 38.32 39.14 3k0y h ASN 103 CO 1.06 1.65 -0.08 0.00 -1.65 0.00 0.00 177.43 178.41 3k0y s ALA 104 N -2.53 -1.00 -0.19 -0.83 0.00 -0.82 -4.54 121.76 111.85 3k0y s ALA 104 Ca -0.15 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 3k0y s ALA 104 Cb 0.04 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.73 3k0y s ALA 104 CO 0.85 -0.53 0.37 -1.50 0.00 0.00 0.00 175.76 174.95 3k0y s ILE 105 N -3.00 -0.58 -0.23 0.00 2.07 -1.26 -1.44 121.20 116.76 3k0y s ILE 105 Ca -0.02 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 3k0y s ILE 105 Cb 0.00 -0.64 0.05 0.00 0.13 0.00 0.00 42.46 42.00 3k0y s ILE 105 CO -0.06 0.04 -0.13 -2.28 -1.91 0.00 0.00 174.94 170.61 3k0y s HIS 106 N 2.55 3.03 0.42 3.50 5.65 0.28 -4.98 115.29 125.75 3k0y s HIS 106 Ca 0.02 -2.07 -0.25 0.00 0.25 0.00 0.00 55.06 53.00 3k0y s HIS 106 Cb -0.13 -1.88 -0.10 0.00 -1.18 0.00 0.00 32.58 29.30 3k0y s HIS 106 CO -0.12 -0.85 1.29 0.09 -0.65 0.00 0.00 174.74 174.50 3k0y n ASN 107 N 4.51 2.62 -4.67 9.88 3.02 -1.26 -0.35 115.26 129.01 3k0y n ASN 107 Ca -0.16 1.11 -0.35 0.00 -0.03 0.00 0.00 54.58 55.16 3k0y n ASN 107 Cb 0.44 -1.51 -0.09 0.00 -0.61 0.00 0.00 39.78 38.01 3k0y n ASN 107 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k0y s ILE 108 N -1.20 4.77 -0.25 2.41 1.01 -0.31 -4.77 121.20 122.87 3k0y s ILE 108 Ca 0.61 -0.05 -0.38 0.00 0.00 0.00 0.00 60.65 60.83 3k0y s ILE 108 Cb -0.50 -3.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 3k0y s ILE 108 CO 0.58 0.51 1.83 -0.11 0.00 0.00 0.00 174.94 177.76 3k0y n LEU 109 N 3.04 2.62 -4.05 2.97 7.94 -1.26 -4.34 117.00 123.93 3k0y n LEU 109 Ca -0.17 0.98 -0.31 0.00 -1.11 0.00 0.00 56.01 55.39 3k0y n LEU 109 Cb 0.53 -1.21 -0.16 0.00 0.53 0.00 0.00 43.42 43.11 3k0y n LEU 109 CO 0.33 -0.36 -0.50 -0.89 -1.11 0.00 0.00 177.39 174.86 3k0y s THR 110 N 4.13 1.70 0.15 1.96 2.01 -1.26 -0.99 115.64 123.33 3k0y s THR 110 Ca 0.99 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3k0y s THR 110 Cb -0.96 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3k0y s THR 110 CO 0.61 0.48 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.46 3k0y s LYS 111 N 1.42 1.02 0.46 4.92 1.02 -0.55 -5.00 119.74 123.04 3k0y s LYS 111 Ca 0.05 -1.47 0.04 0.00 0.02 0.00 0.00 55.97 54.61 3k0y s LYS 111 Cb -0.13 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 3k0y s LYS 111 CO -0.11 -0.09 0.65 -1.54 -0.92 0.00 0.00 175.35 173.34 3k0y s SER 112 N -3.13 5.59 0.20 2.83 1.04 -1.26 -0.90 113.70 118.08 3k0y s SER 112 Ca 0.20 -0.09 -0.32 0.00 0.48 0.00 0.00 55.95 56.22 3k0y s SER 112 Cb 0.06 -1.00 -0.13 0.00 0.10 0.00 0.00 66.02 65.04 3k0y s SER 112 CO 0.01 -0.85 1.51 -0.38 0.98 0.00 0.00 173.24 174.52 3k0y n ILE 113 N -2.05 0.46 -2.47 -1.02 5.41 -1.26 -4.73 119.36 113.69 3k0y n ILE 113 Ca 0.05 -0.11 -0.27 0.00 1.00 0.00 0.00 62.75 63.42 3k0y n ILE 113 Cb 0.59 -1.56 0.02 0.00 -0.71 0.00 0.00 39.64 37.98 3k0y n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k0y s ALA 114 N 0.46 3.35 0.27 -1.39 0.00 -0.21 -5.01 121.76 119.23 3k0y s ALA 114 Ca 0.73 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 3k0y s ALA 114 Cb -0.65 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 3k0y s ALA 114 CO 0.43 -0.66 1.29 0.15 0.00 0.00 0.00 175.76 176.98 3k0y s LYS 115 N -4.91 4.40 0.41 0.00 -0.14 -1.26 -4.51 119.74 113.73 3k0y s LYS 115 Ca 0.52 2.11 -0.27 0.00 -1.36 0.00 0.00 55.97 56.98 3k0y s LYS 115 Cb -0.10 -3.13 -0.09 0.00 -1.68 0.00 0.00 37.83 32.82 3k0y s LYS 115 CO 0.45 -0.17 1.40 1.21 -0.76 0.00 0.00 175.35 177.47 3k0y s ASN 116 N -0.19 6.19 -0.04 2.83 2.47 -1.26 -4.90 114.94 120.03 3k0y s ASN 116 Ca 0.52 2.87 0.06 0.00 0.42 0.00 0.00 52.86 56.73 3k0y s ASN 116 Cb -0.38 -2.65 0.09 0.00 -1.45 0.00 0.00 41.25 36.86 3k0y s ASN 116 CO 0.46 -0.95 1.00 -0.62 -3.72 0.00 0.00 177.10 173.26 3k0y n GLU 117 N 0.15 1.98 0.00 0.43 -0.58 -1.26 -5.07 120.64 116.29 3k0y n GLU 117 Ca 0.03 -1.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.05 3k0y n GLU 117 Cb 0.42 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3k0y n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k0y n GLY 118 N -0.73 1.67 0.34 0.62 0.00 -1.26 -1.88 105.19 103.94 3k0y n GLY 118 Ca 0.05 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.77 3k0y n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0y h ALA 119 N -0.42 1.89 -0.18 4.61 0.00 -2.01 -2.30 119.26 120.85 3k0y h ALA 119 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k0y h ALA 119 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k0y h ALA 119 CO 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.92 3k0y n ALA 120 N -2.37 2.51 -0.06 0.00 0.00 -0.79 -4.42 120.51 115.37 3k0y n ALA 120 Ca 0.02 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 3k0y n ALA 120 Cb 0.35 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 3k0y n ALA 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3k0y h ASN 121 N 2.04 0.04 -0.51 0.00 2.35 -1.52 0.21 115.58 118.18 3k0y h ASN 121 Ca 0.00 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3k0y h ASN 121 Cb 0.45 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 3k0y h ASN 121 CO 0.00 0.06 0.33 0.44 -1.65 0.00 0.00 177.43 176.60 3k0y h ASP 122 N 0.17 0.55 -0.42 5.81 3.32 -1.84 0.37 116.42 124.38 3k0y h ASP 122 Ca 0.12 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3k0y h ASP 122 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3k0y h ASP 122 CO -0.14 0.39 -0.23 -1.28 -1.72 0.00 0.00 179.24 176.26 3k0y h SER 123 N 0.66 0.92 0.07 6.45 0.87 -1.79 0.11 113.55 120.84 3k0y h SER 123 Ca 0.20 -0.41 -0.14 0.00 -1.23 0.00 0.00 61.79 60.21 3k0y h SER 123 Cb -0.03 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3k0y h SER 123 CO -0.07 1.13 -0.67 0.40 -0.53 0.00 0.00 176.83 177.10 3k0y h ILE 124 N 0.71 1.47 0.00 2.23 2.04 -0.85 -3.39 117.51 119.71 3k0y h ILE 124 Ca 0.09 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3k0y h ILE 124 Cb 0.80 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 3k0y h ILE 124 CO 0.07 0.63 -1.13 -1.22 0.00 0.00 0.00 178.15 176.49 3k0y n TYR 125 N -4.30 0.62 0.00 1.37 4.01 0.13 -4.91 117.16 114.07 3k0y n TYR 125 Ca -0.16 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3k0y n TYR 125 Cb 0.69 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3k0y n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k0y n GLY 126 N 1.25 1.44 0.40 2.72 0.00 0.03 -2.83 105.19 108.19 3k0y n GLY 126 Ca 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.20 3k0y n GLY 126 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k0y n THR 127 N 1.42 0.55 -2.55 2.61 -2.24 -1.17 -4.38 114.28 108.52 3k0y n THR 127 Ca 0.00 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 3k0y n THR 127 Cb 0.00 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 3k0y n THR 127 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k0y s ASP 128 N -1.57 7.04 0.73 3.42 1.01 -0.80 -4.96 116.67 121.53 3k0y s ASP 128 Ca 0.10 1.54 -0.15 0.00 0.71 0.00 0.00 52.55 54.75 3k0y s ASP 128 Cb 0.09 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.52 3k0y s ASP 128 CO 0.00 -0.69 1.21 -2.16 0.21 0.00 0.00 175.17 173.74 3k0y s PRO 129 N 3.21 2.17 0.31 8.23 0.04 -1.26 -4.56 135.00 143.14 3k0y s PRO 129 Ca 0.49 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.33 3k0y s PRO 129 Cb -0.18 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3k0y s PRO 129 CO 0.11 -1.82 0.10 0.14 0.04 0.00 0.00 177.00 175.57 3k0y s VAL 130 N -1.96 0.72 -0.19 -0.36 -7.23 0.11 -4.76 120.40 106.72 3k0y s VAL 130 Ca 0.75 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 3k0y s VAL 130 Cb -0.29 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3k0y s VAL 130 CO 0.45 0.00 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.55 3k0y s SER 131 N -3.43 3.61 -0.14 4.85 0.15 0.10 -4.14 113.70 114.71 3k0y s SER 131 Ca 0.35 -0.54 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 3k0y s SER 131 Cb 0.07 -1.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.82 3k0y s SER 131 CO 0.15 0.00 -0.09 -0.63 1.20 0.00 0.00 173.24 173.87 3k0y s ILE 132 N 1.31 1.22 0.37 6.45 1.01 -1.26 -1.15 121.20 129.15 3k0y s ILE 132 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 3k0y s ILE 132 Cb -0.14 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.01 3k0y s ILE 132 CO -0.08 0.33 0.77 -0.31 0.00 0.00 0.00 174.94 175.65 3k0y s TYR 133 N 1.62 3.42 -0.01 3.97 1.51 -1.26 -4.99 117.35 121.61 3k0y s TYR 133 Ca 0.04 1.16 -0.37 0.00 -1.01 0.00 0.00 57.07 56.88 3k0y s TYR 133 Cb -0.13 -2.51 -0.16 0.00 -0.11 0.00 0.00 41.96 39.05 3k0y s TYR 133 CO -0.09 -0.02 1.50 0.09 -1.11 0.00 0.00 175.55 175.92 3k0y n ASN 134 N -0.85 2.10 0.00 2.29 4.13 -1.26 -1.61 115.26 120.07 3k0y n ASN 134 Ca 0.03 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.39 3k0y n ASN 134 Cb 0.54 -1.21 0.00 0.00 -1.54 0.00 0.00 39.78 37.56 3k0y n ASN 134 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3k0y n ASN 135 N 3.59 0.00 -3.34 6.41 3.02 -1.26 -5.19 115.26 118.50 3k0y n ASN 135 Ca 0.21 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 3k0y n ASN 135 Cb 0.19 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 3k0y n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k0y n ASN 136 N 0.00 7.43 0.00 6.41 3.02 -0.63 -5.03 115.26 126.46 3k0y n ASN 136 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 3k0y n ASN 136 Cb 0.00 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 3k0y n ASN 136 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 3k0y n TRP 138 N -0.26 0.00 -3.15 3.10 2.14 -0.29 -0.91 117.44 118.07 3k0y n TRP 138 Ca 0.50 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.68 3k0y n TRP 138 Cb 0.25 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.70 3k0y n TRP 138 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3k0y s ILE 139 N -2.00 5.09 -0.21 -1.67 1.01 -1.26 -0.67 121.20 121.49 3k0y s ILE 139 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 3k0y s ILE 139 Cb 0.00 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.59 3k0y s ILE 139 CO 0.00 0.25 0.50 -0.83 0.00 0.00 0.00 174.94 174.86 3k0y s GLY 140 N 0.81 -0.44 -1.57 6.18 0.00 -0.41 -4.94 107.32 106.95 3k0y s GLY 140 Ca 0.32 1.82 -0.13 0.00 0.00 0.00 0.00 44.72 46.73 3k0y s GLY 140 CO 0.14 2.02 0.83 1.34 0.00 0.00 0.00 173.10 177.43 3k0y n ASP 141 N 4.44 -3.48 0.00 1.64 2.03 -1.26 -1.29 116.55 118.62 3k0y n ASP 141 Ca -0.20 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3k0y n ASP 141 Cb 0.55 -3.36 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 3k0y n ASP 141 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k0y n GLY 142 N -1.60 0.43 3.61 0.27 0.00 -1.26 -5.02 105.19 101.62 3k0y n GLY 142 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3k0y n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k0y s TYR 143 N -1.91 2.82 -0.23 1.61 1.51 -0.41 -0.92 117.35 119.82 3k0y s TYR 143 Ca 0.00 -0.12 -0.20 0.00 -1.01 0.00 0.00 57.07 55.75 3k0y s TYR 143 Cb 0.00 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3k0y s TYR 143 CO 0.00 0.45 0.59 -1.17 -1.11 0.00 0.00 175.55 174.31 3k0y s LEU 144 N -2.26 4.10 -0.13 -1.29 2.96 -0.04 -1.29 118.68 120.74 3k0y s LEU 144 Ca 0.23 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.82 3k0y s LEU 144 Cb -0.11 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3k0y s LEU 144 CO 0.15 -0.29 -0.02 0.20 -1.32 0.00 0.00 176.35 175.08 3k0y s ASN 145 N 1.33 5.03 -0.02 3.68 0.01 0.15 -0.69 114.94 124.43 3k0y s ASN 145 Ca 0.26 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 3k0y s ASN 145 Cb -0.16 -1.65 0.01 0.00 0.41 0.00 0.00 41.25 39.86 3k0y s ASN 145 CO 0.09 0.26 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.25 3k0y s ILE 146 N -0.15 0.54 -0.20 0.60 1.01 -0.40 -1.14 121.20 121.47 3k0y s ILE 146 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3k0y s ILE 146 Cb -0.13 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.83 3k0y s ILE 146 CO 0.02 0.19 -0.11 -0.47 0.00 0.00 0.00 174.94 174.58 3k0y s TYR 147 N 0.38 2.89 0.10 3.97 5.04 -0.09 -1.76 117.35 127.89 3k0y s TYR 147 Ca -0.05 -1.21 0.01 0.00 -2.44 0.00 0.00 57.07 53.38 3k0y s TYR 147 Cb -0.09 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.15 3k0y s TYR 147 CO 0.00 -0.65 -0.04 -0.59 -1.34 0.00 0.00 175.55 172.94 3k0y s PHE 148 N 1.39 0.85 0.15 4.97 -0.71 -0.43 -4.65 117.98 119.55 3k0y s PHE 148 Ca 0.05 -0.99 0.07 0.00 -1.04 0.00 0.00 56.93 55.02 3k0y s PHE 148 Cb -0.14 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 3k0y s PHE 148 CO -0.07 -0.24 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.19 3k0y s GLU 149 N -3.88 1.19 0.06 1.99 2.02 -0.30 -0.90 118.70 118.88 3k0y s GLU 149 Ca 0.14 -1.37 -0.03 0.00 0.02 0.00 0.00 54.97 53.72 3k0y s GLU 149 Cb 0.06 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.16 3k0y s GLU 149 CO -0.04 0.22 0.18 -2.37 0.02 0.00 0.00 175.26 173.27 3k0y n THR 150 N 0.29 0.00 -4.15 3.63 5.66 -0.83 -0.72 114.28 118.16 3k0y n THR 150 Ca -0.13 -0.17 -0.35 0.00 -3.05 0.00 0.00 64.05 60.35 3k0y n THR 150 Cb 0.57 0.18 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 3k0y n THR 150 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3k0y s LEU 151 N 0.00 3.78 0.16 1.09 1.43 -1.26 -1.59 118.68 122.29 3k0y s LEU 151 Ca 0.04 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 3k0y s LEU 151 Cb -0.01 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3k0y s LEU 151 CO 0.02 0.28 -0.15 0.26 0.23 0.00 0.00 176.35 176.99 3k0y s TRP 152 N -0.30 1.61 0.00 0.29 0.52 0.27 -4.82 118.94 116.50 3k0y s TRP 152 Ca 0.08 -0.56 0.00 0.00 0.02 0.00 0.00 56.10 55.64 3k0y s TRP 152 Cb -0.12 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.41 3k0y s TRP 152 CO 0.02 0.26 0.00 0.41 0.02 0.00 0.00 176.95 177.66 3k0y n GLY 153 N 0.08 0.98 1.81 0.98 0.00 0.13 -0.76 105.19 108.42 3k0y n GLY 153 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3k0y n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0y n GLY 154 N 0.42 0.76 0.12 -0.02 0.00 -1.26 -4.78 105.19 100.42 3k0y n GLY 154 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3k0y n GLY 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k0y n LYS 155 N -2.34 0.63 -3.81 1.61 4.81 -1.26 -4.99 118.16 112.81 3k0y n LYS 155 Ca 0.00 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 3k0y n LYS 155 Cb 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 35.03 33.42 3k0y n LYS 155 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3k0y s THR 156 N -2.47 -0.03 0.28 3.15 2.01 -1.26 -5.02 115.64 112.29 3k0y s THR 156 Ca -0.30 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3k0y s THR 156 Cb 0.08 -0.08 -0.12 0.00 0.01 0.00 0.00 72.50 72.39 3k0y s THR 156 CO 0.57 0.05 1.62 0.00 -0.69 0.00 0.00 174.62 176.17 3k0y n ALA 157 N 3.69 2.59 -2.33 7.40 0.00 -1.26 -4.74 120.51 125.85 3k0y n ALA 157 Ca -0.21 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3k0y n ALA 157 Cb 0.55 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 3k0y n ALA 157 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3k0y s HIS 158 N 0.19 3.65 -0.24 0.00 3.76 -1.26 -4.82 115.29 116.57 3k0y s HIS 158 Ca 0.66 1.12 -0.10 0.00 -0.15 0.00 0.00 55.06 56.59 3k0y s HIS 158 Cb -0.50 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 3k0y s HIS 158 CO 0.46 0.46 0.15 0.12 -0.85 0.00 0.00 174.74 175.08 3k0y s PHE 159 N -1.39 3.30 -0.15 1.40 5.36 -0.34 -4.95 117.98 121.21 3k0y s PHE 159 Ca 0.36 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.53 3k0y s PHE 159 Cb -0.16 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 3k0y s PHE 159 CO 0.19 0.06 -0.19 0.42 -1.46 0.00 0.00 175.22 174.24 3k0y s ILE 160 N 1.02 1.90 0.13 3.12 -1.09 -1.26 -1.30 121.20 123.72 3k0y s ILE 160 Ca 0.07 -0.87 -0.08 0.00 -2.23 0.00 0.00 60.65 57.55 3k0y s ILE 160 Cb -0.13 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 3k0y s ILE 160 CO 0.04 0.52 0.21 0.20 -1.23 0.00 0.00 174.94 174.68 3k0y s ASN 161 N 1.09 0.12 -0.10 3.58 0.01 -0.48 -5.01 114.94 114.15 3k0y s ASN 161 Ca -0.01 -0.83 0.01 0.00 -0.71 0.00 0.00 52.86 51.32 3k0y s ASN 161 Cb -0.14 0.37 0.02 0.00 0.41 0.00 0.00 41.25 41.91 3k0y s ASN 161 CO -0.07 -0.80 -0.12 -0.22 -1.51 0.00 0.00 177.10 174.38 3k0y s LEU 162 N -2.93 1.56 0.16 0.60 2.96 -1.26 -0.29 118.68 119.48 3k0y s LEU 162 Ca 0.13 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3k0y s LEU 162 Cb 0.05 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3k0y s LEU 162 CO -0.05 -0.02 -0.12 0.27 -1.32 0.00 0.00 176.35 175.12 3k0y s ILE 163 N 1.12 1.34 -0.40 6.68 -4.36 -0.39 -1.04 121.20 124.15 3k0y s ILE 163 Ca -0.05 -2.04 -0.10 0.00 -0.26 0.00 0.00 60.65 58.20 3k0y s ILE 163 Cb -0.14 -1.84 0.06 0.00 1.25 0.00 0.00 42.46 41.78 3k0y s ILE 163 CO -0.03 -0.66 0.23 -1.10 0.24 0.00 0.00 174.94 173.63 3k0y s GLN 164 N -3.55 2.68 0.55 0.37 -0.21 -1.26 -0.64 119.66 117.60 3k0y s GLN 164 Ca 0.17 -1.33 0.26 0.00 0.02 0.00 0.00 55.36 54.48 3k0y s GLN 164 Cb 0.00 -3.75 1.59 0.00 1.00 0.00 0.00 33.01 31.86 3k0y s GLN 164 CO 0.03 -0.86 2.17 -1.00 -2.12 0.00 0.00 175.29 173.51 3k0y h PRO 165 N 8.41 0.00 -1.59 2.91 0.13 -1.91 -3.37 132.00 136.58 3k0y h PRO 165 Ca -0.24 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.59 3k0y h PRO 165 Cb 1.09 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.96 3k0y h PRO 165 CO 0.72 0.05 -0.65 0.34 -0.23 0.00 0.00 178.00 178.23 3k0y s ASP 166 N -6.35 -0.02 0.44 1.44 -1.08 -1.26 -4.99 116.67 104.84 3k0y s ASP 166 Ca -0.04 -1.83 0.24 0.00 -0.52 0.00 0.00 52.55 50.39 3k0y s ASP 166 Cb 0.15 0.99 0.90 0.00 -1.46 0.00 0.00 42.92 43.50 3k0y s ASP 166 CO 0.58 -0.16 1.82 0.00 0.52 0.00 0.00 175.17 177.93 3k0y h ALA 167 N 6.10 1.02 -0.05 3.66 0.00 -1.80 -1.05 119.26 127.15 3k0y h ALA 167 Ca 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3k0y h ALA 167 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k0y h ALA 167 CO 0.16 0.29 -0.09 1.05 0.00 0.00 0.00 179.25 180.67 3k0y h GLU 168 N 0.00 0.15 0.00 0.00 9.09 -1.95 -3.24 114.58 118.62 3k0y h GLU 168 Ca -0.00 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3k0y h GLU 168 Cb 0.76 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3k0y h GLU 168 CO 0.03 0.66 -1.21 0.09 0.05 0.00 0.00 179.01 178.63 3k0y n ASN 169 N -4.69 0.61 -2.85 3.06 3.02 -1.17 -4.62 115.26 108.62 3k0y n ASN 169 Ca -0.08 -0.45 -0.11 0.00 -0.03 0.00 0.00 54.58 53.90 3k0y n ASN 169 Cb 0.34 1.12 0.06 0.00 -0.61 0.00 0.00 39.78 40.68 3k0y n ASN 169 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3k0y n ASP 170 N -1.84 -1.35 0.26 6.41 -0.08 -0.41 -5.00 116.55 114.54 3k0y n ASP 170 Ca 0.01 -3.42 0.11 0.00 -1.51 0.00 0.00 54.79 49.99 3k0y n ASP 170 Cb 0.42 1.12 0.72 0.00 2.34 0.00 0.00 41.12 45.72 3k0y n ASP 170 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3k0y h PRO 171 N 2.94 0.00 -0.64 -0.67 0.13 -1.63 -2.59 132.00 129.55 3k0y h PRO 171 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3k0y h PRO 171 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3k0y h PRO 171 CO 0.23 0.11 0.00 0.66 -0.23 0.00 0.00 178.00 178.77 3k0y n TYR 172 N -3.86 1.62 -3.95 1.56 4.01 -1.26 -4.77 117.16 110.52 3k0y n TYR 172 Ca -0.02 -0.60 -0.35 0.00 -0.16 0.00 0.00 57.90 56.77 3k0y n TYR 172 Cb 0.20 -0.35 -0.14 0.00 -0.31 0.00 0.00 39.34 38.75 3k0y n TYR 172 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3k0y s THR 173 N -2.19 3.40 0.24 -0.72 2.01 -0.97 -1.38 115.64 116.04 3k0y s THR 173 Ca 0.48 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 62.10 3k0y s THR 173 Cb 0.34 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 3k0y s THR 173 CO 0.19 0.43 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.61 3k0y s LEU 174 N 1.40 2.57 -0.09 4.42 1.43 0.10 -4.29 118.68 124.22 3k0y s LEU 174 Ca 0.05 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 3k0y s LEU 174 Cb -0.14 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3k0y s LEU 174 CO -0.03 -0.06 -0.17 -1.61 0.23 0.00 0.00 176.35 174.71 3k0y s GLU 175 N -3.57 2.30 -0.21 1.70 2.02 0.19 -0.85 118.70 120.28 3k0y s GLU 175 Ca 0.26 -0.61 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 3k0y s GLU 175 Cb -0.03 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 3k0y s GLU 175 CO 0.11 0.03 0.62 0.12 0.02 0.00 0.00 175.26 176.16 3k0y s PHE 176 N 0.71 3.35 0.02 1.61 5.36 0.97 -1.26 117.98 128.74 3k0y s PHE 176 Ca -0.12 0.88 0.08 0.00 -0.96 0.00 0.00 56.93 56.81 3k0y s PHE 176 Cb -0.16 -2.79 -0.03 0.00 -0.34 0.00 0.00 43.02 39.70 3k0y s PHE 176 CO 0.03 -0.20 -0.25 1.03 -1.46 0.00 0.00 175.22 174.36 3k0y s ARG 177 N 2.03 1.97 -0.05 10.12 1.81 0.61 -4.46 118.95 130.97 3k0y s ARG 177 Ca 0.27 -1.01 -0.01 0.00 -1.72 0.00 0.00 55.73 53.26 3k0y s ARG 177 Cb -0.16 -2.03 0.03 0.00 -0.45 0.00 0.00 34.95 32.34 3k0y s ARG 177 CO 0.10 0.54 0.02 -1.58 -0.68 0.00 0.00 175.30 173.69 3k0y s HIS 178 N -0.73 0.43 -0.25 -0.53 5.65 -1.20 -1.38 115.29 117.28 3k0y s HIS 178 Ca 0.11 -0.01 -0.01 0.00 0.25 0.00 0.00 55.06 55.39 3k0y s HIS 178 Cb -0.10 -0.63 0.03 0.00 -1.18 0.00 0.00 32.58 30.69 3k0y s HIS 178 CO 0.01 -0.25 -0.07 1.21 -0.65 0.00 0.00 174.74 174.99 3k0y s ASN 179 N 1.83 4.27 0.00 9.88 3.84 -0.42 -1.91 114.94 132.43 3k0y s ASN 179 Ca 0.02 -0.87 0.26 0.00 0.21 0.00 0.00 52.86 52.47 3k0y s ASN 179 Cb -0.12 -1.65 0.69 0.00 -0.55 0.00 0.00 41.25 39.61 3k0y s ASN 179 CO -0.04 -0.12 1.53 0.00 -2.79 0.00 0.00 177.10 175.68 3k0y n ALA 180 N 4.66 3.26 -0.52 1.71 0.00 -1.26 -1.20 120.51 127.17 3k0y n ALA 180 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3k0y n ALA 180 Cb 0.47 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3k0y n ALA 180 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k0y n TYR 181 N -1.19 0.00 -0.72 0.00 4.01 -1.26 -1.30 117.16 116.70 3k0y n TYR 181 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 3k0y n TYR 181 Cb 0.33 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.74 3k0y n TYR 181 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3k0y n ASP 182 N 4.41 5.12 -4.67 7.72 5.75 -1.26 -4.98 116.55 128.64 3k0y n ASP 182 Ca 0.00 -2.60 -0.42 0.00 -0.01 0.00 0.00 54.79 51.76 3k0y n ASP 182 Cb 0.00 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.44 3k0y n ASP 182 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k0y s ASP 183 N -0.87 6.43 0.83 -1.12 2.15 -0.42 -4.93 116.67 118.74 3k0y s ASP 183 Ca 0.53 2.72 -0.13 0.00 0.43 0.00 0.00 52.55 56.10 3k0y s ASP 183 Cb 0.36 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 3k0y s ASP 183 CO 0.22 -1.05 0.94 -2.65 -0.17 0.00 0.00 175.17 172.47 3k0y n PRO 184 N 6.94 0.05 -3.24 4.34 -0.02 -1.26 -4.73 135.00 137.08 3k0y n PRO 184 Ca 0.19 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 3k0y n PRO 184 Cb 0.40 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3k0y n PRO 184 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3k0y n GLN 185 N -2.65 3.73 -0.02 -0.52 6.02 -1.26 -0.69 117.38 122.00 3k0y n GLN 185 Ca 0.12 -4.54 -0.22 0.00 -0.01 0.00 0.00 57.00 52.35 3k0y n GLN 185 Cb 0.51 -2.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.16 3k0y n GLN 185 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3k0y h TYR 186 N 5.68 0.38 -4.25 1.08 0.05 -1.29 -3.46 116.97 115.16 3k0y h TYR 186 Ca 0.19 -0.28 -0.13 0.00 0.05 0.00 0.00 58.73 58.56 3k0y h TYR 186 Cb 0.71 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.29 3k0y h TYR 186 CO 0.87 1.71 -0.65 0.95 -1.05 0.00 0.00 178.16 179.99 3k0y s THR 187 N -2.51 0.19 0.13 -2.88 -4.23 -0.62 -4.98 115.64 100.74 3k0y s THR 187 Ca -0.23 -1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 3k0y s THR 187 Cb 0.06 -1.64 -0.06 0.00 1.34 0.00 0.00 72.50 72.20 3k0y s THR 187 CO 0.73 -0.84 1.07 -0.63 -0.54 0.00 0.00 174.62 174.42 3k0y s ILE 188 N -3.95 4.12 0.03 2.99 1.01 -1.26 -0.56 121.20 123.58 3k0y s ILE 188 Ca 0.11 1.73 -0.03 0.00 0.00 0.00 0.00 60.65 62.46 3k0y s ILE 188 Cb 0.08 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3k0y s ILE 188 CO -0.07 0.25 0.03 -0.83 0.00 0.00 0.00 174.94 174.32 3k0y s GLY 189 N 0.19 0.25 0.11 6.18 0.00 -0.62 -4.92 107.32 108.50 3k0y s GLY 189 Ca 0.51 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.57 3k0y s GLY 189 CO 0.32 -0.78 0.23 0.00 0.00 0.00 0.00 173.10 172.87 3k0y s ALA 190 N -2.44 3.95 0.03 3.20 0.00 -1.26 -1.97 121.76 123.27 3k0y s ALA 190 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 3k0y s ALA 190 Cb -0.02 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 3k0y s ALA 190 CO -0.04 0.68 0.04 0.20 0.00 0.00 0.00 175.76 176.63 3k0y s GLY 191 N -2.86 0.24 0.05 0.00 0.00 -0.08 -5.00 107.32 99.68 3k0y s GLY 191 Ca 0.34 -0.67 0.09 0.00 0.00 0.00 0.00 44.72 44.49 3k0y s GLY 191 CO 0.28 -0.78 -0.26 0.50 0.00 0.00 0.00 173.10 172.84 3k0y s ARG 192 N -2.44 1.74 0.06 2.90 0.52 -1.26 -1.32 118.95 119.15 3k0y s ARG 192 Ca -0.07 -1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 3k0y s ARG 192 Cb -0.02 -1.93 0.01 0.00 0.52 0.00 0.00 34.95 33.53 3k0y s ARG 192 CO -0.04 0.50 0.25 0.54 0.02 0.00 0.00 175.30 176.56 3k0y s VAL 193 N -0.82 0.11 -0.03 3.52 0.11 -0.72 -4.00 120.40 118.57 3k0y s VAL 193 Ca 0.11 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 3k0y s VAL 193 Cb -0.10 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 3k0y s VAL 193 CO 0.02 -0.48 -0.04 0.00 -3.33 0.00 0.00 175.10 171.27 3k0y s ALA 194 N -3.00 0.56 -0.16 1.54 0.00 -0.16 -1.27 121.76 119.27 3k0y s ALA 194 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3k0y s ALA 194 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3k0y s ALA 194 CO -0.06 0.02 -0.11 -0.06 0.00 0.00 0.00 175.76 175.55 3k0y s PHE 195 N 0.64 2.85 -0.09 0.00 0.08 0.13 -1.48 117.98 120.12 3k0y s PHE 195 Ca -0.08 -0.81 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 3k0y s PHE 195 Cb -0.11 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3k0y s PHE 195 CO -0.00 -0.35 1.35 1.21 -0.10 0.00 0.00 175.22 177.33 3k0y s ASN 196 N 0.73 6.89 0.00 1.36 3.84 -0.07 -0.86 114.94 126.83 3k0y s ASN 196 Ca -0.05 1.91 0.18 0.00 0.21 0.00 0.00 52.86 55.11 3k0y s ASN 196 Cb -0.15 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.50 3k0y s ASN 196 CO 0.02 -0.75 1.41 0.18 -2.79 0.00 0.00 177.10 175.17 3k0y n LEU 197 N 6.17 2.89 0.08 3.21 4.77 -0.10 -4.03 117.00 129.98 3k0y n LEU 197 Ca 0.14 -1.41 0.10 0.00 -0.03 0.00 0.00 56.01 54.80 3k0y n LEU 197 Cb 0.44 -0.34 0.42 0.00 -2.33 0.00 0.00 43.42 41.61 3k0y n LEU 197 CO 0.58 0.71 0.80 -1.54 -1.33 0.00 0.00 177.39 176.60 3k0y n SER 198 N 1.08 0.41 -0.20 -1.43 3.41 -1.26 -1.37 113.62 114.25 3k0y n SER 198 Ca 0.18 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 3k0y n SER 198 Cb 0.46 -0.69 0.61 0.00 -0.26 0.00 0.00 64.21 64.33 3k0y n SER 198 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k0y n SER 199 N -1.96 0.73 -4.79 4.04 3.41 -1.26 -4.88 113.62 108.90 3k0y n SER 199 Ca 0.02 -0.90 -0.34 0.00 -0.26 0.00 0.00 58.87 57.39 3k0y n SER 199 Cb 0.19 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3k0y n SER 199 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k0y s LEU 200 N -2.30 3.77 0.52 1.04 1.43 -0.47 -4.98 118.68 117.70 3k0y s LEU 200 Ca 0.33 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 55.17 3k0y s LEU 200 Cb 0.20 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 3k0y s LEU 200 CO 0.43 -0.94 1.38 -2.84 0.23 0.00 0.00 176.35 174.62 3k0y s PRO 201 N -3.37 3.27 0.22 1.29 0.02 -1.26 -4.87 135.00 130.30 3k0y s PRO 201 Ca 0.68 2.30 -0.32 0.00 0.02 0.00 0.00 61.00 63.68 3k0y s PRO 201 Cb -0.18 -2.36 -0.13 0.00 0.02 0.00 0.00 34.50 31.85 3k0y s PRO 201 CO 0.24 -1.11 1.62 -3.47 -0.33 0.00 0.00 177.00 173.95 3k0y n ASP 202 N -0.82 3.59 -0.45 2.53 -0.08 -1.26 -4.84 116.55 115.22 3k0y n ASP 202 Ca 0.09 1.10 0.07 0.00 -1.51 0.00 0.00 54.79 54.54 3k0y n ASP 202 Cb 0.44 -1.52 0.26 0.00 2.34 0.00 0.00 41.12 42.64 3k0y n ASP 202 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3k0y n THR 203 N 3.16 0.26 0.00 5.18 -2.24 -1.26 -5.01 114.28 114.37 3k0y n THR 203 Ca 0.14 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3k0y n THR 203 Cb 0.33 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3k0y n THR 203 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k0y n LYS 204 N 0.16 0.00 -0.60 -0.78 4.76 -1.26 -2.70 118.16 117.74 3k0y n LYS 204 Ca 0.12 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.61 3k0y n LYS 204 Cb 0.24 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.64 3k0y n LYS 204 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k0y n GLY 205 N 0.00 5.13 3.93 0.72 0.00 -1.26 -4.24 105.19 109.46 3k0y n GLY 205 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 3k0y n GLY 205 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k0y s GLU 206 N -3.23 3.53 -0.07 1.61 2.02 -1.10 -4.93 118.70 116.53 3k0y s GLU 206 Ca 0.38 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 55.03 3k0y s GLU 206 Cb 0.37 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 3k0y s GLU 206 CO -0.06 0.16 0.33 0.99 0.02 0.00 0.00 175.26 176.69 3k0y s THR 207 N -2.26 5.20 0.33 3.63 2.01 -1.26 -4.42 115.64 118.88 3k0y s THR 207 Ca 0.41 0.64 0.04 0.00 0.31 0.00 0.00 61.69 63.10 3k0y s THR 207 Cb -0.10 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 3k0y s THR 207 CO 0.35 0.54 0.05 0.68 -0.69 0.00 0.00 174.62 175.54 3k0y s VAL 208 N -0.67 1.32 -0.12 3.82 -7.23 0.14 -4.93 120.40 112.74 3k0y s VAL 208 Ca 0.20 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 3k0y s VAL 208 Cb -0.15 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 3k0y s VAL 208 CO 0.09 -0.02 0.57 -1.81 -0.31 0.00 0.00 175.10 173.62 3k0y s ASP 209 N -3.51 6.77 -0.21 4.85 1.01 -1.26 -0.58 116.67 123.74 3k0y s ASP 209 Ca 0.36 0.92 -0.04 0.00 0.71 0.00 0.00 52.55 54.50 3k0y s ASP 209 Cb 0.09 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 3k0y s ASP 209 CO 0.16 -0.08 -0.04 -0.22 0.21 0.00 0.00 175.17 175.19 3k0y s LEU 210 N 0.91 2.97 -0.22 1.23 2.96 0.16 -4.82 118.68 121.87 3k0y s LEU 210 Ca 0.30 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3k0y s LEU 210 Cb -0.16 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3k0y s LEU 210 CO 0.13 0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.52 3k0y s VAL 211 N 1.25 4.14 -0.24 1.68 1.01 -0.48 -0.13 120.40 127.63 3k0y s VAL 211 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3k0y s VAL 211 Cb -0.14 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.38 3k0y s VAL 211 CO -0.01 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 3k0y s VAL 212 N 1.23 2.45 0.18 2.92 1.01 0.08 0.01 120.40 128.28 3k0y s VAL 212 Ca 0.04 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 3k0y s VAL 212 Cb -0.15 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 3k0y s VAL 212 CO 0.02 0.16 0.65 0.20 0.00 0.00 0.00 175.10 176.13 3k0y s ASN 213 N 1.23 6.99 0.16 3.32 0.01 -0.03 -0.58 114.94 126.04 3k0y s ASN 213 Ca -0.03 1.29 -0.11 0.00 -0.71 0.00 0.00 52.86 53.31 3k0y s ASN 213 Cb -0.17 -2.37 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 3k0y s ASN 213 CO -0.06 0.08 0.32 -0.72 -1.51 0.00 0.00 177.10 175.21 3k0y s TYR 214 N -1.45 0.27 -0.08 2.20 1.13 -0.36 -0.02 117.35 119.04 3k0y s TYR 214 Ca 0.40 -0.64 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 3k0y s TYR 214 Cb -0.16 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.70 3k0y s TYR 214 CO 0.20 -0.74 -0.15 -1.58 -2.51 0.00 0.00 175.55 170.78 3k0y s TRP 215 N -3.94 2.73 0.46 -3.49 0.51 -1.26 -1.25 118.94 112.69 3k0y s TRP 215 Ca 0.14 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.74 3k0y s TRP 215 Cb 0.03 -1.72 -0.02 0.00 -0.81 0.00 0.00 33.47 30.94 3k0y s TRP 215 CO -0.02 -0.02 0.05 0.95 -0.51 0.00 0.00 176.95 177.41 3k0y s THR 216 N -0.22 1.03 0.24 2.01 -4.23 -0.22 -0.72 115.64 113.53 3k0y s THR 216 Ca 0.00 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 3k0y s THR 216 Cb -0.13 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.69 3k0y s THR 216 CO 0.03 0.00 1.99 0.77 -0.54 0.00 0.00 174.62 176.87 3k0y h SER 217 N 1.58 0.00 -0.57 3.99 4.64 -1.92 -1.73 113.55 119.55 3k0y h SER 217 Ca -0.41 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.71 3k0y h SER 217 Cb 1.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 3k0y h SER 217 CO 0.68 0.11 0.17 -1.84 -0.87 0.00 0.00 176.83 175.09 3k0y n GLU 218 N -3.34 2.77 0.00 4.77 0.28 -1.26 -5.08 120.64 118.78 3k0y n GLU 218 Ca -0.01 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 53.94 3k0y n GLU 218 Cb 0.31 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.17 3k0y n GLU 218 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k0y n GLY 219 N -0.68 -1.28 3.72 -1.84 0.00 -0.65 -4.97 105.19 99.49 3k0y n GLY 219 Ca 0.38 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3k0y n GLY 219 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k0y s LYS 220 N 0.00 4.21 0.33 1.61 2.20 -1.26 -1.05 119.74 125.78 3k0y s LYS 220 Ca 0.00 2.37 0.03 0.00 -0.36 0.00 0.00 55.97 58.01 3k0y s LYS 220 Cb 0.00 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 3k0y s LYS 220 CO 0.00 -0.61 0.08 -0.65 -0.36 0.00 0.00 175.35 173.81 3k0y s GLN 221 N 1.09 1.67 0.01 4.03 -1.52 -0.38 -4.95 119.66 119.61 3k0y s GLN 221 Ca 0.70 -1.94 0.01 0.00 -1.95 0.00 0.00 55.36 52.18 3k0y s GLN 221 Cb -0.44 -0.73 -0.01 0.00 -0.22 0.00 0.00 33.01 31.61 3k0y s GLN 221 CO 0.32 -0.26 -0.04 0.00 -0.25 0.00 0.00 175.29 175.06 3k0y s ALA 222 N -3.35 0.28 -0.00 6.09 0.00 -1.26 -1.22 121.76 122.29 3k0y s ALA 222 Ca 0.34 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.96 3k0y s ALA 222 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3k0y s ALA 222 CO 0.15 -0.02 -0.16 0.71 0.00 0.00 0.00 175.76 176.44 3k0y s TYR 223 N -0.74 1.40 -0.20 0.00 2.02 0.26 -4.97 117.35 115.13 3k0y s TYR 223 Ca -0.06 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3k0y s TYR 223 Cb -0.05 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 3k0y s TYR 223 CO -0.00 -0.01 -0.11 0.15 -1.57 0.00 0.00 175.55 174.01 3k0y s LYS 224 N -0.52 3.23 0.25 -0.62 1.02 -1.26 -0.74 119.74 121.10 3k0y s LYS 224 Ca 0.06 -0.71 0.10 0.00 0.02 0.00 0.00 55.97 55.44 3k0y s LYS 224 Cb -0.06 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3k0y s LYS 224 CO -0.00 -0.18 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.57 3k0y s LEU 225 N 1.34 2.58 -0.00 3.17 1.02 0.81 -4.94 118.68 122.65 3k0y s LEU 225 Ca 0.04 -1.03 -0.18 0.00 0.02 0.00 0.00 54.13 52.99 3k0y s LEU 225 Cb -0.14 -0.90 -0.06 0.00 0.02 0.00 0.00 46.19 45.11 3k0y s LEU 225 CO -0.06 -0.06 0.50 -0.54 0.02 0.00 0.00 176.35 176.21 3k0y s LYS 226 N -3.57 4.15 -0.03 1.70 -0.14 -1.26 0.38 119.74 120.97 3k0y s LYS 226 Ca 0.27 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.45 3k0y s LYS 226 Cb -0.03 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 32.86 3k0y s LYS 226 CO 0.11 0.52 0.02 -0.47 -0.76 0.00 0.00 175.35 174.77 3k0y s TYR 227 N -0.62 0.16 -0.07 3.18 5.04 0.26 -4.88 117.35 120.41 3k0y s TYR 227 Ca 0.27 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 3k0y s TYR 227 Cb -0.17 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 41.82 3k0y s TYR 227 CO 0.15 -0.12 -0.10 1.21 -1.34 0.00 0.00 175.55 175.35 3k0y s ASN 228 N 1.14 1.71 0.59 4.32 3.84 -1.26 -0.68 114.94 124.59 3k0y s ASN 228 Ca -0.08 -0.27 0.32 0.00 0.21 0.00 0.00 52.86 53.03 3k0y s ASN 228 Cb -0.13 -0.77 1.86 0.00 -0.55 0.00 0.00 41.25 41.66 3k0y s ASN 228 CO -0.03 -0.00 2.25 0.28 -2.79 0.00 0.00 177.10 176.81 3k0y h SER 229 N 7.16 0.00 -2.98 -4.21 0.02 -1.78 -3.38 113.55 108.39 3k0y h SER 229 Ca -0.32 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.06 3k0y h SER 229 Cb 1.17 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 3k0y h SER 229 CO 0.46 0.02 0.86 -0.62 -1.14 0.00 0.00 176.83 176.41 3k0y s ASP 230 N -6.01 6.34 0.25 3.07 2.15 -1.26 -4.92 116.67 116.29 3k0y s ASP 230 Ca -0.05 -0.21 -0.03 0.00 0.43 0.00 0.00 52.55 52.69 3k0y s ASP 230 Cb 0.14 -2.51 0.46 0.00 -0.30 0.00 0.00 42.92 40.71 3k0y s ASP 230 CO 0.53 -1.49 1.77 0.11 -0.17 0.00 0.00 175.17 175.92 3k0y h LYS 231 N 9.59 0.60 -0.95 4.34 1.57 -1.99 -2.38 116.57 127.35 3k0y h LYS 231 Ca -0.26 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3k0y h LYS 231 Cb 1.06 -0.14 -0.16 0.00 0.08 0.00 0.00 32.23 33.08 3k0y h LYS 231 CO 1.18 0.40 -0.35 2.41 -0.57 0.00 0.00 179.45 182.53 3k0y n THR 232 N -4.87 -0.48 0.00 -0.16 -1.04 -1.26 -5.02 114.28 101.45 3k0y n THR 232 Ca 0.15 2.22 0.00 0.00 -2.04 0.00 0.00 64.05 64.37 3k0y n THR 232 Cb 0.38 -2.95 0.00 0.00 -1.82 0.00 0.00 70.33 65.93 3k0y n THR 232 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3k0y n LYS 233 N -5.43 0.00 -0.17 -2.82 4.76 -0.90 -5.15 118.16 108.45 3k0y n LYS 233 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3k0y n LYS 233 Cb 0.40 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 3k0y n LYS 233 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3k0y n ASN 248 N 0.00 0.00 0.02 4.39 2.85 -1.26 -5.12 115.26 116.14 3k0y n ASN 248 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 3k0y n ASN 248 Cb 0.00 -0.80 -0.13 0.00 1.24 0.00 0.00 39.78 40.08 3k0y n ASN 248 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3k0y h ILE 249 N -0.35 1.20 0.00 -1.44 1.08 -1.99 -3.28 117.51 112.74 3k0y h ILE 249 Ca 0.00 -2.99 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 3k0y h ILE 249 Cb 0.91 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 3k0y h ILE 249 CO 0.00 0.70 -1.66 0.35 -0.69 0.00 0.00 178.15 176.85 3k0y n THR 250 N -3.19 0.13 0.87 -0.27 -2.24 -1.26 -4.85 114.28 103.47 3k0y n THR 250 Ca -0.10 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 3k0y n THR 250 Cb 1.01 0.02 0.11 0.00 -2.10 0.00 0.00 70.33 69.37 3k0y n THR 250 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k0y n ASP 251 N -2.26 1.79 0.00 3.42 8.00 -1.24 -5.06 116.55 121.20 3k0y n ASP 251 Ca -0.02 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.34 3k0y n ASP 251 Cb 0.54 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3k0y n ASP 251 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10