#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4y s LEU 2 N 0.00 2.98 -0.02 4.03 2.96 -1.26 0.25 118.68 127.62 3k4y s LEU 2 Ca 0.00 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3k4y s LEU 2 Cb 0.00 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3k4y s LEU 2 CO 0.00 -0.03 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.86 3k4y s THR 3 N 1.48 1.94 -0.26 3.68 2.01 0.30 -0.41 115.64 124.39 3k4y s THR 3 Ca 0.05 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 3k4y s THR 3 Cb -0.14 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.79 3k4y s THR 3 CO -0.03 0.55 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 3k4y s ILE 4 N -0.54 2.76 -0.36 1.82 1.01 -0.70 -1.54 121.20 123.65 3k4y s ILE 4 Ca 0.08 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 3k4y s ILE 4 Cb -0.10 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3k4y s ILE 4 CO -0.01 0.13 0.18 -0.22 0.00 0.00 0.00 174.94 175.02 3k4y s LEU 5 N 1.28 4.60 -0.09 2.97 0.20 -0.56 -0.92 118.68 126.16 3k4y s LEU 5 Ca -0.02 -1.02 -0.21 0.00 0.69 0.00 0.00 54.13 53.57 3k4y s LEU 5 Cb -0.17 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 3k4y s LEU 5 CO -0.04 -0.37 0.58 -0.75 -0.29 0.00 0.00 176.35 175.48 3k4y s LYS 6 N 1.51 4.39 -0.51 1.98 2.20 0.64 -1.88 119.74 128.07 3k4y s LYS 6 Ca 0.01 0.65 -0.15 0.00 -0.36 0.00 0.00 55.97 56.12 3k4y s LYS 6 Cb -0.19 -3.44 0.11 0.00 -1.51 0.00 0.00 37.83 32.80 3k4y s LYS 6 CO 0.06 0.11 0.46 -0.51 -0.36 0.00 0.00 175.35 175.11 3k4y s LEU 7 N 0.70 5.97 -0.21 5.43 1.43 0.34 -0.72 118.68 131.63 3k4y s LEU 7 Ca 0.31 -1.65 -0.37 0.00 -1.03 0.00 0.00 54.13 51.39 3k4y s LEU 7 Cb -0.16 -2.19 -0.14 0.00 0.03 0.00 0.00 46.19 43.73 3k4y s LEU 7 CO 0.14 -0.78 1.83 0.61 0.23 0.00 0.00 176.35 178.38 3k4y n GLY 8 N 5.21 1.08 3.51 -3.19 0.00 0.93 -3.58 105.19 109.15 3k4y n GLY 8 Ca -0.13 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 3k4y n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4y n GLY 9 N 4.45 -0.28 0.00 -0.02 0.00 -1.26 -1.62 105.19 106.46 3k4y n GLY 9 Ca 0.26 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3k4y n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k4y n SER 10 N 15.92 0.00 -0.05 1.61 2.88 -1.24 -4.66 113.62 128.08 3k4y n SER 10 Ca 0.44 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.13 3k4y n SER 10 Cb 0.40 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.57 3k4y n SER 10 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3k4y n ILE 11 N 0.00 0.00 -0.07 2.46 -5.35 -0.64 -3.86 119.36 111.91 3k4y n ILE 11 Ca 0.00 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 3k4y n ILE 11 Cb 0.00 -0.33 -0.07 0.00 -1.74 0.00 0.00 39.64 37.50 3k4y n ILE 11 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k4y n LEU 12 N -1.14 2.34 -3.83 7.28 4.77 -1.26 -4.53 117.00 120.62 3k4y n LEU 12 Ca 0.15 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3k4y n LEU 12 Cb 0.25 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 3k4y n LEU 12 CO 0.23 0.63 -0.19 -0.94 -1.33 0.00 0.00 177.39 175.80 3k4y s SER 13 N -5.13 -0.11 -0.33 -1.43 1.04 -1.25 -0.48 113.70 106.01 3k4y s SER 13 Ca -0.16 0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 3k4y s SER 13 Cb 0.04 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3k4y s SER 13 CO 0.35 -0.14 1.27 -0.62 0.98 0.00 0.00 173.24 175.08 3k4y s ASP 14 N -0.31 6.67 0.59 7.02 -1.08 -1.26 -3.66 116.67 124.64 3k4y s ASP 14 Ca -0.04 1.08 0.38 0.00 -0.52 0.00 0.00 52.55 53.45 3k4y s ASP 14 Cb -0.03 -2.54 1.77 0.00 -1.46 0.00 0.00 42.92 40.66 3k4y s ASP 14 CO 0.01 -1.10 2.13 0.07 0.52 0.00 0.00 175.17 176.80 3k4y h LYS 15 N 9.26 0.00 -0.01 4.34 2.10 -1.88 -0.90 116.57 129.49 3k4y h LYS 15 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3k4y h LYS 15 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3k4y h LYS 15 CO 1.05 0.01 -0.08 0.09 -2.00 0.00 0.00 179.45 178.52 3k4y n ASN 16 N -3.11 1.05 -3.87 7.07 3.02 -1.26 -4.50 115.26 113.66 3k4y n ASN 16 Ca -0.01 -1.15 -0.29 0.00 -0.03 0.00 0.00 54.58 53.10 3k4y n ASN 16 Cb 0.22 0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.28 3k4y n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k4y s VAL 17 N -2.19 2.40 -0.24 2.41 1.01 -0.34 -5.09 120.40 118.36 3k4y s VAL 17 Ca 0.35 -3.49 -0.43 0.00 0.00 0.00 0.00 61.98 58.41 3k4y s VAL 17 Cb 0.21 -2.63 -0.19 0.00 0.00 0.00 0.00 36.38 33.76 3k4y s VAL 17 CO 0.40 -0.90 1.41 -2.65 0.00 0.00 0.00 175.10 173.36 3k4y n PRO 18 N 2.78 0.27 -1.36 2.72 -0.02 -1.26 -1.02 135.00 137.11 3k4y n PRO 18 Ca 0.12 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.61 3k4y n PRO 18 Cb 0.34 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 3k4y n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4y n TYR 19 N 3.17 -0.05 -3.00 6.00 4.01 0.20 -5.02 117.16 122.47 3k4y n TYR 19 Ca 0.25 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.72 3k4y n TYR 19 Cb 0.04 -1.84 -0.01 0.00 -0.31 0.00 0.00 39.34 37.21 3k4y n TYR 19 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3k4y s SER 20 N -2.87 6.34 -0.02 7.72 1.04 -0.19 -5.04 113.70 120.69 3k4y s SER 20 Ca 0.00 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.22 3k4y s SER 20 Cb 0.00 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 63.96 3k4y s SER 20 CO 0.00 -0.40 -0.01 -0.63 0.98 0.00 0.00 173.24 173.17 3k4y s ILE 21 N -2.45 0.18 -1.09 -1.02 -1.09 -1.26 -4.43 121.20 110.05 3k4y s ILE 21 Ca 0.45 -0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.70 3k4y s ILE 21 Cb -0.10 -0.22 0.14 0.00 -1.58 0.00 0.00 42.46 40.69 3k4y s ILE 21 CO 0.38 0.10 1.34 -0.54 -1.23 0.00 0.00 174.94 174.98 3k4y s LYS 22 N 0.50 3.84 0.08 2.79 1.02 0.37 -4.90 119.74 123.44 3k4y s LYS 22 Ca -0.05 -2.07 -0.30 0.00 0.02 0.00 0.00 55.97 53.58 3k4y s LYS 22 Cb -0.08 -5.07 -0.17 0.00 -0.52 0.00 0.00 37.83 31.99 3k4y s LYS 22 CO -0.01 -1.85 1.66 -1.49 -0.92 0.00 0.00 175.35 172.74 3k4y h TRP 23 N 8.10 -0.57 -0.70 3.18 4.06 -1.96 -0.03 115.95 128.03 3k4y h TRP 23 Ca 0.25 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.22 3k4y h TRP 23 Cb 0.95 0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 29.25 3k4y h TRP 23 CO 1.17 -0.35 0.43 -0.44 -3.56 0.00 0.00 178.44 175.69 3k4y h ASP 24 N -0.60 0.71 -0.46 -3.49 3.32 -1.99 0.10 116.42 114.02 3k4y h ASP 24 Ca -0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3k4y h ASP 24 Cb 0.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3k4y h ASP 24 CO 0.09 0.49 0.16 -1.13 -1.72 0.00 0.00 179.24 177.13 3k4y h ASN 25 N 0.84 0.65 -0.60 6.45 -0.00 -1.84 0.07 115.58 121.15 3k4y h ASN 25 Ca 0.29 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.30 56.39 3k4y h ASN 25 Cb 0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.16 3k4y h ASN 25 CO -0.12 0.66 0.34 0.25 -0.00 0.00 0.00 177.43 178.56 3k4y h LEU 26 N 0.60 0.75 -0.70 0.34 5.85 -0.56 -0.05 115.31 121.53 3k4y h LEU 26 Ca 0.15 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 3k4y h LEU 26 Cb 0.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3k4y h LEU 26 CO -0.01 0.62 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.06 3k4y h GLU 27 N 0.82 0.65 -0.40 1.25 5.08 -0.49 -1.23 114.58 120.26 3k4y h GLU 27 Ca 0.21 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3k4y h GLU 27 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3k4y h GLU 27 CO -0.04 0.89 0.10 -0.09 -1.00 0.00 0.00 179.01 178.87 3k4y h ARG 28 N 0.55 0.65 -0.66 2.33 2.43 -0.78 -2.08 114.38 116.82 3k4y h ARG 28 Ca 0.06 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3k4y h ARG 28 Cb 0.82 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 3k4y h ARG 28 CO 0.07 0.67 0.35 0.82 -1.51 0.00 0.00 179.97 180.37 3k4y h ILE 29 N 0.51 1.21 -0.85 1.20 2.04 -0.75 -0.93 117.51 119.95 3k4y h ILE 29 Ca 0.13 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3k4y h ILE 29 Cb 0.32 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3k4y h ILE 29 CO 0.00 0.24 0.55 0.00 0.00 0.00 0.00 178.15 178.95 3k4y h ALA 30 N 1.16 1.08 -0.22 1.87 0.00 -1.16 -1.93 119.26 120.06 3k4y h ALA 30 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k4y h ALA 30 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3k4y h ALA 30 CO -0.03 0.50 0.10 1.98 0.00 0.00 0.00 179.25 181.79 3k4y h MET 31 N 1.16 0.32 -0.72 0.00 1.85 -0.69 -0.54 114.93 116.32 3k4y h MET 31 Ca 0.31 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.35 3k4y h MET 31 Cb -0.12 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.82 3k4y h MET 31 CO -0.07 0.35 0.45 0.93 -0.40 0.00 0.00 176.91 178.17 3k4y h GLU 32 N 0.21 0.96 -0.57 0.39 5.08 -0.99 0.34 114.58 120.00 3k4y h GLU 32 Ca 0.07 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3k4y h GLU 32 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3k4y h GLU 32 CO -0.01 0.66 0.38 0.82 -1.00 0.00 0.00 179.01 179.86 3k4y h ILE 33 N 0.97 1.14 0.00 3.13 2.04 -1.15 0.13 117.51 123.78 3k4y h ILE 33 Ca 0.26 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3k4y h ILE 33 Cb -0.06 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3k4y h ILE 33 CO -0.05 0.14 -0.00 0.50 0.00 0.00 0.00 178.15 178.74 3k4y h LYS 34 N 0.77 -0.00 -0.83 2.37 1.63 -0.17 0.71 116.57 121.04 3k4y h LYS 34 Ca 0.21 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.08 3k4y h LYS 34 Cb -0.09 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.48 3k4y h LYS 34 CO -0.05 0.04 0.50 -0.91 -3.45 0.00 0.00 179.45 175.58 3k4y h ASN 35 N -0.04 0.76 0.69 4.20 2.35 -0.12 0.47 115.58 123.89 3k4y h ASN 35 Ca -0.00 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3k4y h ASN 35 Cb 0.04 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.30 3k4y h ASN 35 CO 0.00 0.46 -0.33 0.00 -1.65 0.00 0.00 177.43 175.91 3k4y h ALA 36 N 1.42 -0.93 -0.96 -0.83 0.00 -0.36 0.16 119.26 117.77 3k4y h ALA 36 Ca 0.38 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3k4y h ALA 36 Cb 0.25 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 3k4y h ALA 36 CO -0.20 -1.01 0.57 -0.07 0.00 0.00 0.00 179.25 178.54 3k4y h LEU 37 N -0.96 0.77 -0.65 0.00 3.38 -0.59 0.13 115.31 117.38 3k4y h LEU 37 Ca -0.10 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3k4y h LEU 37 Cb 0.72 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3k4y h LEU 37 CO 0.16 0.34 0.29 0.44 0.09 0.00 0.00 178.44 179.76 3k4y h ASP 38 N 0.81 0.87 -0.75 -0.43 3.32 -0.59 -2.05 116.42 117.58 3k4y h ASP 38 Ca 0.52 -0.15 0.13 0.00 0.02 0.00 0.00 57.03 57.55 3k4y h ASP 38 Cb 0.68 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.92 3k4y h ASP 38 CO -0.33 0.77 0.33 0.22 -1.72 0.00 0.00 179.24 178.51 3k4y h TYR 39 N 0.90 0.56 -0.42 4.55 3.20 0.14 -2.15 116.97 123.75 3k4y h TYR 39 Ca 0.22 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 3k4y h TYR 39 Cb 0.15 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3k4y h TYR 39 CO 0.01 0.11 -0.20 1.88 -1.64 0.00 0.00 178.16 178.32 3k4y h TYR 40 N 0.49 1.00 -0.88 -3.82 -1.99 -0.95 -2.71 116.97 108.12 3k4y h TYR 40 Ca 0.41 -0.25 0.13 0.00 2.00 0.00 0.00 58.73 61.02 3k4y h TYR 40 Cb 0.58 -0.23 -0.07 0.00 2.00 0.00 0.00 36.73 39.01 3k4y h TYR 40 CO -0.14 1.02 0.57 0.87 -0.00 0.00 0.00 178.16 180.48 3k4y h LYS 41 N 0.69 0.69 0.31 4.88 1.57 -0.77 -0.45 116.57 123.48 3k4y h LYS 41 Ca 0.09 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3k4y h LYS 41 Cb 0.76 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3k4y h LYS 41 CO 0.06 0.45 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.34 3k4y h ASN 42 N 0.71 -0.35 0.00 0.86 2.35 -1.12 -1.92 115.58 116.10 3k4y h ASN 42 Ca 0.43 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3k4y h ASN 42 Cb 0.66 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3k4y h ASN 42 CO -0.19 -0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 3k4y n GLN 43 N -5.20 0.41 -3.77 0.81 1.13 -0.84 -4.77 117.38 105.14 3k4y n GLN 43 Ca -0.10 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.69 3k4y n GLN 43 Cb 0.23 -1.06 -0.04 0.00 0.11 0.00 0.00 30.24 29.47 3k4y n GLN 43 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3k4y n ASN 44 N -0.26 -2.04 -4.59 1.08 5.15 -0.72 -4.90 115.26 108.97 3k4y n ASN 44 Ca 0.00 -0.61 -0.36 0.00 -0.60 0.00 0.00 54.58 53.01 3k4y n ASN 44 Cb 0.03 -1.77 -0.11 0.00 -0.53 0.00 0.00 39.78 37.40 3k4y n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3k4y s LYS 45 N -6.40 3.91 -0.20 1.20 2.36 -0.24 -5.01 119.74 115.35 3k4y s LYS 45 Ca 0.53 -0.36 -0.29 0.00 -2.55 0.00 0.00 55.97 53.30 3k4y s LYS 45 Cb -0.30 -3.34 -0.00 0.00 -1.05 0.00 0.00 37.83 33.14 3k4y s LYS 45 CO 0.65 0.08 1.20 -2.00 1.55 0.00 0.00 175.35 176.83 3k4y s GLU 46 N 0.92 4.21 -0.08 4.03 2.56 -1.26 -4.30 118.70 124.78 3k4y s GLU 46 Ca 0.05 1.52 0.04 0.00 0.00 0.00 0.00 54.97 56.58 3k4y s GLU 46 Cb -0.14 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.26 3k4y s GLU 46 CO 0.03 -0.72 -0.21 -1.50 -0.56 0.00 0.00 175.26 172.30 3k4y s ILE 47 N 3.49 1.77 -0.17 -3.70 2.07 -1.26 -4.30 121.20 119.10 3k4y s ILE 47 Ca 0.51 -0.87 -0.07 0.00 -1.41 0.00 0.00 60.65 58.82 3k4y s ILE 47 Cb -0.19 -1.54 -0.04 0.00 0.13 0.00 0.00 42.46 40.83 3k4y s ILE 47 CO 0.13 0.50 0.04 -0.54 -1.91 0.00 0.00 174.94 173.16 3k4y s LYS 48 N 0.27 3.90 -0.08 3.50 1.02 0.70 -5.00 119.74 124.06 3k4y s LYS 48 Ca -0.13 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3k4y s LYS 48 Cb -0.16 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3k4y s LYS 48 CO 0.06 0.28 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.54 3k4y s LEU 49 N 0.32 1.18 0.00 3.17 2.96 -1.26 -0.54 118.68 124.51 3k4y s LEU 49 Ca 0.02 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3k4y s LEU 49 Cb -0.13 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 3k4y s LEU 49 CO 0.01 -0.09 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.28 3k4y s ILE 50 N 1.41 3.93 -0.06 6.68 1.01 -0.59 -4.11 121.20 129.48 3k4y s ILE 50 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.00 3k4y s ILE 50 Cb -0.13 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3k4y s ILE 50 CO -0.04 0.38 -0.24 -0.76 0.00 0.00 0.00 174.94 174.29 3k4y s LEU 51 N -1.51 2.04 -0.03 2.97 1.43 -0.25 -1.49 118.68 121.85 3k4y s LEU 51 Ca 0.19 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 3k4y s LEU 51 Cb -0.11 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3k4y s LEU 51 CO 0.09 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.99 3k4y s VAL 52 N -0.07 1.67 0.27 -1.59 1.01 -0.79 0.32 120.40 121.22 3k4y s VAL 52 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3k4y s VAL 52 Cb -0.14 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 3k4y s VAL 52 CO 0.04 0.47 0.03 -1.38 0.00 0.00 0.00 175.10 174.26 3k4y s HIS 53 N -0.37 1.74 0.00 5.22 -3.43 -0.66 0.13 115.29 117.91 3k4y s HIS 53 Ca 0.05 -0.95 0.00 0.00 -0.80 0.00 0.00 55.06 53.36 3k4y s HIS 53 Cb -0.09 -1.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.00 3k4y s HIS 53 CO 0.00 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.11 3k4y n GLY 54 N -0.53 1.17 0.14 -1.38 0.00 -1.23 -2.59 105.19 100.77 3k4y n GLY 54 Ca -0.03 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3k4y n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4y n GLY 55 N 5.00 -0.90 4.70 -0.02 0.00 -1.26 -4.55 105.19 108.16 3k4y n GLY 55 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3k4y n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4y n GLY 56 N 1.36 0.99 0.96 -0.02 0.00 -1.26 0.95 105.19 108.17 3k4y n GLY 56 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3k4y n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4y n ALA 57 N 3.63 2.96 0.04 4.61 0.00 -1.26 -3.88 120.51 126.60 3k4y n ALA 57 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.86 3k4y n ALA 57 Cb 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 3k4y n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k4y n PHE 58 N 0.15 0.00 0.28 0.00 3.72 0.15 0.62 117.46 122.38 3k4y n PHE 58 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 3k4y n PHE 58 Cb 0.56 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.97 3k4y n PHE 58 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k4y h GLY 59 N -0.09 -0.79 0.95 1.37 0.00 0.44 -3.23 103.07 101.72 3k4y h GLY 59 Ca -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3k4y h GLY 59 CO -0.00 -0.29 -0.25 0.45 0.00 0.00 0.00 176.54 176.45 3k4y h HIS 60 N -0.74 -0.64 -0.91 5.60 3.86 -1.71 -1.21 115.15 119.39 3k4y h HIS 60 Ca -0.05 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.32 3k4y h HIS 60 Cb 0.61 0.21 -0.07 0.00 1.06 0.00 0.00 27.41 29.22 3k4y h HIS 60 CO -0.10 -0.37 0.59 -1.35 0.86 0.00 0.00 177.93 177.56 3k4y h PRO 61 N -0.75 0.57 0.20 2.45 0.11 -1.82 -0.27 132.00 132.48 3k4y h PRO 61 Ca -0.07 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.69 3k4y h PRO 61 Cb 0.56 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.56 3k4y h PRO 61 CO 0.12 0.38 -1.50 0.28 -0.21 0.00 0.00 178.00 177.06 3k4y h VAL 62 N 0.59 1.14 -0.48 3.15 2.07 -1.54 -3.30 116.25 117.87 3k4y h VAL 62 Ca 0.48 -2.57 0.10 0.00 0.82 0.00 0.00 66.70 65.53 3k4y h VAL 62 Cb 0.93 2.91 -0.09 0.00 -1.52 0.00 0.00 31.29 33.53 3k4y h VAL 62 CO -0.22 0.80 -0.09 0.00 0.02 0.00 0.00 177.57 178.08 3k4y h ALA 63 N 0.10 0.36 -0.94 1.67 0.00 -0.60 -1.66 119.26 118.18 3k4y h ALA 63 Ca -0.29 0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.08 3k4y h ALA 63 Cb 2.03 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 19.98 3k4y h ALA 63 CO 0.19 -0.43 0.08 1.17 0.00 0.00 0.00 179.25 180.26 3k4y n LYS 64 N -5.32 -0.07 0.07 0.00 4.81 -0.17 0.48 118.16 117.96 3k4y n LYS 64 Ca 0.04 1.40 0.05 0.00 -0.87 0.00 0.00 58.31 58.93 3k4y n LYS 64 Cb 0.26 -2.25 0.25 0.00 0.02 0.00 0.00 35.03 33.31 3k4y n LYS 64 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3k4y n LYS 65 N -5.36 0.06 -0.01 1.64 5.02 -0.62 -1.97 118.16 116.91 3k4y n LYS 65 Ca 0.24 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3k4y n LYS 65 Cb 0.79 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3k4y n LYS 65 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3k4y n TYR 66 N -1.82 0.00 -3.81 2.13 4.01 0.18 -4.96 117.16 112.88 3k4y n TYR 66 Ca -0.01 -0.42 -0.36 0.00 -0.16 0.00 0.00 57.90 56.96 3k4y n TYR 66 Cb 0.03 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 38.89 3k4y n TYR 66 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k4y s LEU 67 N -0.86 3.38 0.02 7.72 1.43 -0.83 -1.46 118.68 128.08 3k4y s LEU 67 Ca 0.01 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3k4y s LEU 67 Cb 0.01 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3k4y s LEU 67 CO 0.00 -0.08 -0.21 -1.59 0.23 0.00 0.00 176.35 174.70 3k4y s LYS 68 N 1.53 1.48 -0.41 1.70 -2.85 0.27 -4.88 119.74 116.58 3k4y s LYS 68 Ca 0.05 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.87 3k4y s LYS 68 Cb -0.15 -1.53 0.01 0.00 -2.06 0.00 0.00 37.83 34.09 3k4y s LYS 68 CO 0.01 0.40 1.39 0.42 0.10 0.00 0.00 175.35 177.67 3k4y s ILE 69 N -0.69 3.93 -1.01 3.79 -1.09 -1.26 -1.58 121.20 123.29 3k4y s ILE 69 Ca 0.08 0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 59.44 3k4y s ILE 69 Cb -0.08 -4.22 0.32 0.00 -1.58 0.00 0.00 42.46 36.89 3k4y s ILE 69 CO 0.01 -0.75 1.63 -0.62 -1.23 0.00 0.00 174.94 173.97 3k4y n GLU 70 N 8.02 4.91 -1.42 2.79 -0.58 0.08 -4.68 120.64 129.76 3k4y n GLU 70 Ca 0.16 -4.64 0.00 0.00 -0.42 0.00 0.00 57.16 52.26 3k4y n GLU 70 Cb 0.48 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 3k4y n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3k4y n ASP 71 N 0.44 -1.89 -0.06 1.62 10.43 -1.26 -4.00 116.55 121.83 3k4y n ASP 71 Ca 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.73 3k4y n ASP 71 Cb 0.30 -0.55 -0.00 0.00 1.84 0.00 0.00 41.12 42.70 3k4y n ASP 71 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k4y n GLY 72 N -1.34 0.25 3.09 0.44 0.00 -1.26 -4.98 105.19 101.39 3k4y n GLY 72 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3k4y n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4y s LYS 73 N -1.38 2.46 0.08 1.61 -2.85 -1.26 -5.10 119.74 113.31 3k4y s LYS 73 Ca 0.00 -0.65 -0.31 0.00 -1.00 0.00 0.00 55.97 54.02 3k4y s LYS 73 Cb 0.00 -2.07 -0.09 0.00 -2.06 0.00 0.00 37.83 33.61 3k4y s LYS 73 CO 0.00 -0.07 1.76 -1.59 0.10 0.00 0.00 175.35 175.55 3k4y s LYS 74 N 0.99 4.17 -0.05 1.78 -2.85 -1.26 -0.74 119.74 121.77 3k4y s LYS 74 Ca -0.06 2.46 0.03 0.00 -1.00 0.00 0.00 55.97 57.41 3k4y s LYS 74 Cb -0.15 -3.66 0.00 0.00 -2.06 0.00 0.00 37.83 31.96 3k4y s LYS 74 CO -0.03 -0.81 -0.15 0.42 0.10 0.00 0.00 175.35 174.89 3k4y s ILE 75 N 2.90 1.28 -0.12 3.79 -1.09 -0.62 -4.92 121.20 122.43 3k4y s ILE 75 Ca 0.78 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 58.39 3k4y s ILE 75 Cb -0.42 -1.13 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 3k4y s ILE 75 CO 0.35 0.38 0.63 -0.36 -1.23 0.00 0.00 174.94 174.70 3k4y s PHE 76 N 0.34 3.51 0.28 3.97 0.08 -1.25 -0.56 117.98 124.35 3k4y s PHE 76 Ca -0.09 1.07 0.04 0.00 0.12 0.00 0.00 56.93 58.07 3k4y s PHE 76 Cb -0.13 -2.74 -0.06 0.00 -0.57 0.00 0.00 43.02 39.52 3k4y s PHE 76 CO 0.03 0.04 0.03 -1.50 -0.10 0.00 0.00 175.22 173.72 3k4y s ILE 77 N 1.06 1.12 -1.39 0.64 1.10 -0.54 -4.83 121.20 118.37 3k4y s ILE 77 Ca 0.32 -2.02 -0.05 0.00 -0.51 0.00 0.00 60.65 58.39 3k4y s ILE 77 Cb -0.16 -2.60 0.03 0.00 0.15 0.00 0.00 42.46 39.87 3k4y s ILE 77 CO 0.14 -0.14 0.38 0.59 -2.11 0.00 0.00 174.94 173.80 3k4y n ASN 78 N -0.56 -4.84 0.00 4.50 3.02 -1.26 -4.71 115.26 111.40 3k4y n ASN 78 Ca -0.03 -0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.41 3k4y n ASN 78 Cb 0.65 -3.99 0.44 0.00 -0.61 0.00 0.00 39.78 36.28 3k4y n ASN 78 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3k4y n MET 79 N -3.58 0.23 0.31 3.52 2.81 -1.26 -0.16 117.12 119.00 3k4y n MET 79 Ca -0.10 0.13 0.20 0.00 -1.81 0.00 0.00 57.70 56.11 3k4y n MET 79 Cb 0.60 -1.50 1.04 0.00 -0.71 0.00 0.00 33.22 32.65 3k4y n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3k4y h GLU 80 N 0.00 0.00 0.00 0.03 3.07 -2.01 -2.45 114.58 113.22 3k4y h GLU 80 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3k4y h GLU 80 Cb 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3k4y h GLU 80 CO 0.00 0.01 -1.26 1.63 -1.40 0.00 0.00 179.01 177.99 3k4y n LYS 81 N -3.24 0.92 -0.25 2.33 4.76 0.03 -4.78 118.16 117.93 3k4y n LYS 81 Ca -0.02 0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3k4y n LYS 81 Cb 0.13 -1.09 0.14 0.00 -1.84 0.00 0.00 35.03 32.37 3k4y n LYS 81 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3k4y h GLY 82 N 0.45 1.16 0.96 0.72 0.00 -0.52 -2.08 103.07 103.76 3k4y h GLY 82 Ca -0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3k4y h GLY 82 CO -0.01 0.54 0.01 -2.75 0.00 0.00 0.00 176.54 174.33 3k4y h PHE 83 N 1.07 0.02 0.01 5.60 3.57 -1.70 -0.86 116.94 124.65 3k4y h PHE 83 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3k4y h PHE 83 Cb 0.11 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3k4y h PHE 83 CO 0.01 0.05 -0.01 2.35 -2.23 0.00 0.00 178.31 178.49 3k4y h TRP 84 N -0.02 -0.01 -0.36 0.41 -0.00 -1.78 -1.05 115.95 113.14 3k4y h TRP 84 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 3k4y h TRP 84 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.18 3k4y h TRP 84 CO -0.06 0.14 0.24 0.93 -0.00 0.00 0.00 178.44 179.69 3k4y h GLU 85 N -0.17 0.30 0.11 2.65 5.08 -1.21 0.84 114.58 122.18 3k4y h GLU 85 Ca -0.00 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 3k4y h GLU 85 Cb 0.16 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3k4y h GLU 85 CO 0.00 0.20 -1.19 0.82 -1.00 0.00 0.00 179.01 177.84 3k4y h ILE 86 N 0.31 1.47 0.07 3.13 2.04 -1.07 -2.63 117.51 120.82 3k4y h ILE 86 Ca 0.15 -2.91 -0.00 0.00 1.00 0.00 0.00 64.86 63.10 3k4y h ILE 86 Cb 0.22 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3k4y h ILE 86 CO -0.03 0.85 -0.05 1.56 0.00 0.00 0.00 178.15 180.48 3k4y h GLN 87 N 0.11 -0.12 -0.11 2.37 4.20 0.53 -2.35 115.11 119.74 3k4y h GLN 87 Ca -0.13 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.62 3k4y h GLN 87 Cb 1.89 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.68 3k4y h GLN 87 CO 0.20 -0.08 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.14 3k4y h ARG 88 N -0.13 -0.03 -0.37 1.46 2.43 0.54 0.16 114.38 118.45 3k4y h ARG 88 Ca -0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3k4y h ARG 88 Cb 0.11 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3k4y h ARG 88 CO -0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.44 3k4y h ALA 89 N 1.08 0.34 -0.05 2.80 0.00 -1.47 -0.66 119.26 121.30 3k4y h ALA 89 Ca 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3k4y h ALA 89 Cb 0.12 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k4y h ALA 89 CO -0.13 -0.39 -0.28 0.52 0.00 0.00 0.00 179.25 178.96 3k4y h MET 90 N 0.10 0.09 -0.32 0.00 2.86 -0.80 -2.28 114.93 114.58 3k4y h MET 90 Ca 0.18 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3k4y h MET 90 Cb 0.25 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3k4y h MET 90 CO -0.30 0.37 0.03 0.00 1.06 0.00 0.00 176.91 178.07 3k4y h ARG 91 N 0.08 0.55 0.07 1.72 3.08 0.40 0.12 114.38 120.40 3k4y h ARG 91 Ca 0.01 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3k4y h ARG 91 Cb 0.54 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3k4y h ARG 91 CO 0.04 0.66 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.20 3k4y h ARG 92 N 0.37 -0.48 -0.39 0.04 1.12 -0.72 0.29 114.38 114.60 3k4y h ARG 92 Ca 0.10 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.05 3k4y h ARG 92 Cb 0.39 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.41 3k4y h ARG 92 CO 0.01 -0.32 0.13 0.35 -3.11 0.00 0.00 179.97 177.03 3k4y h PHE 93 N -0.50 0.23 -0.62 2.20 3.57 -1.36 -1.33 116.94 119.14 3k4y h PHE 93 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3k4y h PHE 93 Cb 0.55 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3k4y h PHE 93 CO -0.30 0.09 0.36 -0.97 -2.23 0.00 0.00 178.31 175.25 3k4y h ASN 94 N 0.29 0.75 -0.02 0.41 -1.24 -0.13 -2.04 115.58 113.59 3k4y h ASN 94 Ca 0.18 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.14 3k4y h ASN 94 Cb 0.17 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 3k4y h ASN 94 CO -0.19 0.60 -0.08 0.78 -1.29 0.00 0.00 177.43 177.25 3k4y h ASN 95 N 0.84 -0.23 -0.79 1.15 -0.26 0.03 -0.67 115.58 115.64 3k4y h ASN 95 Ca 0.22 0.04 0.05 0.00 -0.56 0.00 0.00 56.30 56.05 3k4y h ASN 95 Cb -0.00 0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.31 3k4y h ASN 95 CO -0.04 -0.11 0.49 0.40 -1.06 0.00 0.00 177.43 177.10 3k4y h ILE 96 N -0.13 1.05 -0.07 2.81 2.04 -0.98 0.28 117.51 122.51 3k4y h ILE 96 Ca 0.04 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3k4y h ILE 96 Cb 0.18 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3k4y h ILE 96 CO -0.10 0.17 -0.04 0.40 0.00 0.00 0.00 178.15 178.58 3k4y h ILE 97 N 0.91 1.33 -0.52 -0.67 2.04 -1.14 -2.61 117.51 116.84 3k4y h ILE 97 Ca 0.34 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3k4y h ILE 97 Cb 0.12 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3k4y h ILE 97 CO -0.16 0.30 0.26 0.40 0.00 0.00 0.00 178.15 178.95 3k4y h ILE 98 N -0.22 1.19 -0.41 -0.67 2.04 -0.74 -1.14 117.51 117.55 3k4y h ILE 98 Ca 0.02 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3k4y h ILE 98 Cb 0.50 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3k4y h ILE 98 CO 0.01 0.21 0.11 0.44 0.00 0.00 0.00 178.15 178.92 3k4y h ASP 99 N 0.70 0.06 -0.41 1.72 3.32 -0.49 0.13 116.42 121.46 3k4y h ASP 99 Ca 0.18 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3k4y h ASP 99 Cb 0.10 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3k4y h ASP 99 CO -0.02 0.07 0.14 0.74 -1.72 0.00 0.00 179.24 178.45 3k4y h THR 100 N 0.25 1.21 -0.95 0.35 2.02 -1.13 0.12 112.91 114.78 3k4y h THR 100 Ca 0.20 -0.67 0.08 0.00 0.77 0.00 0.00 66.41 66.79 3k4y h THR 100 Cb 0.22 0.88 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3k4y h THR 100 CO -0.24 0.24 0.59 -0.07 0.37 0.00 0.00 175.52 176.42 3k4y h LEU 101 N 0.52 0.92 -0.66 2.58 3.38 -0.85 -2.45 115.31 118.74 3k4y h LEU 101 Ca 0.13 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3k4y h LEU 101 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k4y h LEU 101 CO -0.01 0.55 0.01 1.56 0.09 0.00 0.00 178.44 180.64 3k4y h GLN 102 N 1.03 1.05 0.00 1.13 1.08 0.34 -1.61 115.11 118.13 3k4y h GLN 102 Ca 0.43 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3k4y h GLN 102 Cb 0.27 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3k4y h GLN 102 CO -0.21 1.02 0.05 0.66 -0.95 0.00 0.00 178.83 179.41 3k4y h SER 103 N 0.96 0.00 -0.49 1.46 4.64 -0.52 0.57 113.55 120.17 3k4y h SER 103 Ca 0.17 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 3k4y h SER 103 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3k4y h SER 103 CO 0.03 0.00 0.08 -1.22 -0.87 0.00 0.00 176.83 174.85 3k4y n TYR 104 N -2.50 1.69 -1.87 4.77 4.01 -0.73 -4.93 117.16 117.59 3k4y n TYR 104 Ca -0.02 -1.04 -0.21 0.00 -0.16 0.00 0.00 57.90 56.48 3k4y n TYR 104 Cb 0.09 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 38.56 3k4y n TYR 104 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k4y n ASP 105 N -0.24 -5.56 -4.63 7.72 8.00 0.20 -4.89 116.55 117.15 3k4y n ASP 105 Ca 0.30 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 3k4y n ASP 105 Cb 1.14 -4.82 -0.04 0.00 -0.02 0.00 0.00 41.12 37.38 3k4y n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k4y s ILE 106 N -2.84 4.77 -0.65 0.53 1.01 -0.68 -4.96 121.20 118.38 3k4y s ILE 106 Ca 0.00 1.46 -0.05 0.00 0.00 0.00 0.00 60.65 62.06 3k4y s ILE 106 Cb 0.00 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 3k4y s ILE 106 CO 0.00 -0.20 2.09 -0.81 0.00 0.00 0.00 174.94 176.01 3k4y n PRO 107 N 6.22 1.75 -2.58 2.79 -0.04 -1.26 -3.74 135.00 138.14 3k4y n PRO 107 Ca 0.06 -1.18 -0.35 0.00 -0.04 0.00 0.00 63.50 61.98 3k4y n PRO 107 Cb 0.48 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 3k4y n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4y s ALA 108 N 3.08 3.02 0.02 0.55 0.00 -1.26 0.09 121.76 127.26 3k4y s ALA 108 Ca 0.37 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 3k4y s ALA 108 Cb 0.12 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3k4y s ALA 108 CO -0.02 -0.20 0.01 0.14 0.00 0.00 0.00 175.76 175.68 3k4y s VAL 109 N -1.80 0.13 -0.15 0.00 -7.23 -0.01 -4.84 120.40 106.50 3k4y s VAL 109 Ca 0.61 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 59.48 3k4y s VAL 109 Cb -0.19 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 3k4y s VAL 109 CO 0.24 -0.57 0.85 -0.55 -0.31 0.00 0.00 175.10 174.75 3k4y s SER 110 N -1.76 7.01 -0.29 4.85 0.15 -1.26 0.39 113.70 122.79 3k4y s SER 110 Ca -0.11 1.24 -0.05 0.00 0.70 0.00 0.00 55.95 57.73 3k4y s SER 110 Cb -0.06 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 3k4y s SER 110 CO -0.02 -0.37 0.04 -0.63 1.20 0.00 0.00 173.24 173.45 3k4y s ILE 111 N 1.96 3.53 -0.40 6.45 -1.09 -0.35 -4.89 121.20 126.41 3k4y s ILE 111 Ca 0.40 -0.92 -0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3k4y s ILE 111 Cb -0.17 -2.86 0.09 0.00 -1.58 0.00 0.00 42.46 37.94 3k4y s ILE 111 CO 0.14 0.06 0.20 -1.58 -1.23 0.00 0.00 174.94 172.53 3k4y s GLN 112 N 1.41 2.32 0.21 2.79 0.74 -1.26 -3.83 119.66 122.04 3k4y s GLN 112 Ca 0.00 -1.60 -0.09 0.00 0.05 0.00 0.00 55.36 53.72 3k4y s GLN 112 Cb -0.18 -3.62 0.15 0.00 1.10 0.00 0.00 33.01 30.46 3k4y s GLN 112 CO 0.00 -0.97 1.81 -1.35 -0.55 0.00 0.00 175.29 174.23 3k4y h PRO 113 N 8.20 1.08 -0.74 1.67 0.11 -1.92 -2.80 132.00 137.60 3k4y h PRO 113 Ca -0.18 -0.14 0.21 0.00 0.11 0.00 0.00 66.00 66.00 3k4y h PRO 113 Cb 1.06 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3k4y h PRO 113 CO 0.71 0.82 0.86 0.66 -0.21 0.00 0.00 178.00 180.84 3k4y h SER 114 N 1.06 0.00 1.69 -2.05 4.64 -1.88 0.12 113.55 117.13 3k4y h SER 114 Ca 0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 3k4y h SER 114 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3k4y h SER 114 CO -0.04 0.00 -0.32 0.28 -0.87 0.00 0.00 176.83 175.88 3k4y h SER 115 N 0.00 0.00 0.00 4.97 0.02 -1.80 -3.42 113.55 113.32 3k4y h SER 115 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3k4y h SER 115 Cb 2.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.61 3k4y h SER 115 CO -0.00 0.18 0.00 2.22 -1.14 0.00 0.00 176.83 178.08 3k4y n PHE 116 N -3.08 0.00 -3.17 3.45 1.16 0.18 -5.08 117.46 110.91 3k4y n PHE 116 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.21 3k4y n PHE 116 Cb 0.61 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.42 3k4y n PHE 116 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k4y s VAL 117 N 0.00 5.06 -0.26 1.97 1.01 0.14 -4.65 120.40 123.67 3k4y s VAL 117 Ca 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 3k4y s VAL 117 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3k4y s VAL 117 CO 0.00 0.15 -0.01 -0.69 0.00 0.00 0.00 175.10 174.54 3k4y s VAL 118 N 1.75 3.29 -1.11 2.92 1.01 -0.26 -3.89 120.40 124.11 3k4y s VAL 118 Ca 0.27 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3k4y s VAL 118 Cb -0.16 -2.66 -0.11 0.00 0.00 0.00 0.00 36.38 33.45 3k4y s VAL 118 CO 0.10 0.18 3.09 0.33 0.00 0.00 0.00 175.10 178.80 3k4y n PHE 119 N 4.75 1.74 -1.58 5.22 7.35 -0.14 -0.42 117.46 134.38 3k4y n PHE 119 Ca -0.16 -2.59 -0.31 0.00 -0.76 0.00 0.00 57.45 53.63 3k4y n PHE 119 Cb 0.48 -2.14 0.05 0.00 0.35 0.00 0.00 39.48 38.22 3k4y n PHE 119 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3k4y s GLY 120 N 1.88 1.66 0.17 7.13 0.00 -1.26 -4.52 107.32 112.38 3k4y s GLY 120 Ca 0.67 0.04 0.07 0.00 0.00 0.00 0.00 44.72 45.51 3k4y s GLY 120 CO -0.05 0.36 0.78 1.22 0.00 0.00 0.00 173.10 175.41 3k4y n ASP 121 N -3.16 0.10 -4.34 1.64 10.43 -1.26 -1.78 116.55 118.18 3k4y n ASP 121 Ca 0.07 0.83 -0.39 0.00 2.57 0.00 0.00 54.79 57.88 3k4y n ASP 121 Cb 0.54 -0.37 -0.12 0.00 1.84 0.00 0.00 41.12 43.01 3k4y n ASP 121 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3k4y s LYS 122 N -4.94 2.88 -0.07 -1.24 2.47 -1.26 -5.06 119.74 112.52 3k4y s LYS 122 Ca -0.05 -1.01 -0.38 0.00 -1.56 0.00 0.00 55.97 52.97 3k4y s LYS 122 Cb 0.16 -3.53 -0.15 0.00 -1.46 0.00 0.00 37.83 32.85 3k4y s LYS 122 CO 0.39 -0.59 1.58 -0.11 0.16 0.00 0.00 175.35 176.77 3k4y n LEU 123 N 4.90 2.27 -4.43 5.43 7.94 -0.73 -4.90 117.00 127.48 3k4y n LEU 123 Ca -0.13 1.08 -0.34 0.00 -1.11 0.00 0.00 56.01 55.51 3k4y n LEU 123 Cb 0.46 -1.21 -0.13 0.00 0.53 0.00 0.00 43.42 43.07 3k4y n LEU 123 CO 0.33 -0.63 -0.36 -0.63 -1.11 0.00 0.00 177.39 174.99 3k4y s ILE 124 N 2.10 3.72 -0.36 1.96 1.01 0.44 -4.93 121.20 125.14 3k4y s ILE 124 Ca 0.90 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 3k4y s ILE 124 Cb -0.94 -2.65 0.20 0.00 0.01 0.00 0.00 42.46 39.08 3k4y s ILE 124 CO 0.54 0.46 1.01 0.12 0.00 0.00 0.00 174.94 177.07 3k4y s PHE 125 N 0.75 -0.56 -0.14 3.97 5.99 -1.26 -1.11 117.98 125.62 3k4y s PHE 125 Ca -0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 56.93 56.56 3k4y s PHE 125 Cb -0.15 0.11 -0.04 0.00 0.00 0.00 0.00 43.02 42.94 3k4y s PHE 125 CO 0.02 -0.41 1.71 0.34 -0.00 0.00 0.00 175.22 176.88 3k4y s ASP 126 N 1.41 6.41 0.00 6.13 -1.08 -1.26 -4.87 116.67 123.40 3k4y s ASP 126 Ca 0.20 1.95 0.21 0.00 -0.52 0.00 0.00 52.55 54.39 3k4y s ASP 126 Cb 0.07 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.53 3k4y s ASP 126 CO -0.11 -1.18 1.45 0.35 0.52 0.00 0.00 175.17 176.19 3k4y n THR 127 N 6.12 0.52 -0.12 1.71 -2.24 -1.26 -4.46 114.28 114.55 3k4y n THR 127 Ca 0.19 -0.67 -0.05 0.00 -2.27 0.00 0.00 64.05 61.26 3k4y n THR 127 Cb 0.44 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 3k4y n THR 127 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k4y h SER 128 N 3.63 -0.53 -0.37 3.42 0.02 -2.00 -0.39 113.55 117.32 3k4y h SER 128 Ca 0.00 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3k4y h SER 128 Cb 0.81 0.31 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3k4y h SER 128 CO 0.00 -0.19 0.10 0.00 -1.14 0.00 0.00 176.83 175.61 3k4y h ALA 129 N 1.28 0.42 -0.84 3.77 0.00 -2.01 -2.33 119.26 119.54 3k4y h ALA 129 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k4y h ALA 129 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3k4y h ALA 129 CO -0.46 -0.29 0.50 0.82 0.00 0.00 0.00 179.25 179.82 3k4y h ILE 130 N 0.24 1.23 -0.40 0.00 2.04 -1.59 -1.20 117.51 117.85 3k4y h ILE 130 Ca 0.17 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3k4y h ILE 130 Cb 0.17 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3k4y h ILE 130 CO -0.20 0.24 0.25 0.11 0.00 0.00 0.00 178.15 178.55 3k4y h LYS 131 N 1.15 0.53 -0.31 2.37 1.57 -0.66 -1.14 116.57 120.08 3k4y h LYS 131 Ca 0.30 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3k4y h LYS 131 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3k4y h LYS 131 CO -0.06 0.38 0.12 0.93 -0.57 0.00 0.00 179.45 180.25 3k4y h GLU 132 N 0.53 0.25 -0.89 3.15 4.39 -1.20 -1.85 114.58 118.95 3k4y h GLU 132 Ca 0.14 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.94 3k4y h GLU 132 Cb -0.02 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 3k4y h GLU 132 CO -0.03 0.17 0.58 0.52 -1.16 0.00 0.00 179.01 179.09 3k4y h MET 133 N 0.26 0.82 -0.25 2.33 2.86 -0.72 -0.10 114.93 120.12 3k4y h MET 133 Ca 0.13 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 3k4y h MET 133 Cb 0.09 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3k4y h MET 133 CO -0.13 0.54 -0.34 -0.07 1.06 0.00 0.00 176.91 177.97 3k4y h LEU 134 N 0.84 0.57 -2.08 1.22 3.38 -0.69 -1.56 115.31 117.00 3k4y h LEU 134 Ca 0.43 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3k4y h LEU 134 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k4y h LEU 134 CO -0.19 0.87 0.12 0.11 0.09 0.00 0.00 178.44 179.44 3k4y h LYS 135 N 0.46 0.00 -0.11 1.13 1.57 -0.21 -0.35 116.57 119.06 3k4y h LYS 135 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3k4y h LYS 135 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3k4y h LYS 135 CO 0.07 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.49 3k4y n ARG 136 N -4.34 1.85 -2.05 3.15 5.12 -0.87 -4.93 116.66 114.60 3k4y n ARG 136 Ca 0.01 -1.26 -0.16 0.00 -1.93 0.00 0.00 57.85 54.51 3k4y n ARG 136 Cb 0.25 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 3k4y n ARG 136 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3k4y n ASN 137 N 0.50 -4.73 -4.88 0.55 5.03 -0.14 -5.01 115.26 106.58 3k4y n ASN 137 Ca 0.17 0.10 -0.31 0.00 0.87 0.00 0.00 54.58 55.42 3k4y n ASN 137 Cb 0.40 -3.79 0.02 0.00 -1.02 0.00 0.00 39.78 35.39 3k4y n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k4y s LEU 138 N -4.21 3.12 -0.47 3.41 1.43 -0.64 -4.85 118.68 116.47 3k4y s LEU 138 Ca 0.00 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3k4y s LEU 138 Cb 0.00 -4.27 0.12 0.00 0.03 0.00 0.00 46.19 42.08 3k4y s LEU 138 CO 0.00 -1.03 0.22 -0.69 0.23 0.00 0.00 176.35 175.09 3k4y s VAL 139 N -3.23 2.87 0.12 -1.59 1.01 0.11 -4.48 120.40 115.20 3k4y s VAL 139 Ca 0.56 -2.72 -0.31 0.00 0.00 0.00 0.00 61.98 59.51 3k4y s VAL 139 Cb -0.11 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 3k4y s VAL 139 CO 0.53 -0.74 1.75 -2.84 0.00 0.00 0.00 175.10 173.80 3k4y s PRO 140 N 0.38 4.16 -0.29 2.72 0.02 -1.26 -0.83 135.00 139.91 3k4y s PRO 140 Ca 0.13 2.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.60 3k4y s PRO 140 Cb -0.22 -3.50 0.01 0.00 0.02 0.00 0.00 34.50 30.80 3k4y s PRO 140 CO -0.04 -0.78 0.06 0.08 -0.33 0.00 0.00 177.00 175.99 3k4y s VAL 141 N 2.41 3.83 0.04 3.83 1.01 0.16 -1.09 120.40 130.61 3k4y s VAL 141 Ca 0.77 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3k4y s VAL 141 Cb -0.44 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3k4y s VAL 141 CO 0.34 0.11 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 3k4y s ILE 142 N 1.48 4.12 0.04 2.22 1.01 0.15 -1.22 121.20 129.00 3k4y s ILE 142 Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3k4y s ILE 142 Cb -0.17 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3k4y s ILE 142 CO 0.02 0.25 -0.07 -1.38 0.00 0.00 0.00 174.94 173.75 3k4y s HIS 143 N -1.20 0.62 0.38 3.97 -3.43 -1.25 -1.65 115.29 112.72 3k4y s HIS 143 Ca 0.23 -0.46 -0.26 0.00 -0.80 0.00 0.00 55.06 53.77 3k4y s HIS 143 Cb -0.12 -0.37 -0.11 0.00 -1.43 0.00 0.00 32.58 30.55 3k4y s HIS 143 CO 0.14 -0.08 1.20 0.41 -2.00 0.00 0.00 174.74 174.41 3k4y n GLY 144 N 1.64 0.33 3.54 -1.38 0.00 -1.07 -4.61 105.19 103.65 3k4y n GLY 144 Ca -0.22 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3k4y n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k4y s ASP 145 N -0.49 0.47 0.08 1.61 -1.08 -1.03 -4.69 116.67 111.55 3k4y s ASP 145 Ca 0.59 -1.27 -0.22 0.00 -0.52 0.00 0.00 52.55 51.13 3k4y s ASP 145 Cb -0.56 0.65 -0.07 0.00 -1.46 0.00 0.00 42.92 41.48 3k4y s ASP 145 CO 0.60 -1.27 0.65 -0.51 0.52 0.00 0.00 175.17 175.15 3k4y s ILE 146 N -3.31 4.67 0.05 4.11 1.10 -1.26 -2.90 121.20 123.65 3k4y s ILE 146 Ca 0.27 1.39 -0.05 0.00 -0.51 0.00 0.00 60.65 61.75 3k4y s ILE 146 Cb -0.01 -3.99 -0.02 0.00 0.15 0.00 0.00 42.46 38.60 3k4y s ILE 146 CO 0.15 0.51 0.08 0.68 -2.11 0.00 0.00 174.94 174.25 3k4y s VAL 147 N -0.87 0.15 0.43 4.00 -7.23 -0.54 -3.68 120.40 112.66 3k4y s VAL 147 Ca 0.32 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 3k4y s VAL 147 Cb -0.20 -1.06 -0.08 0.00 0.56 0.00 0.00 36.38 35.59 3k4y s VAL 147 CO 0.21 -0.69 1.19 -0.63 -0.31 0.00 0.00 175.10 174.87 3k4y s ILE 148 N -3.02 3.02 -0.31 -0.62 -1.09 -1.25 -1.25 121.20 116.69 3k4y s ILE 148 Ca -0.01 0.82 -0.00 0.00 -2.23 0.00 0.00 60.65 59.22 3k4y s ILE 148 Cb 0.01 -3.44 0.10 0.00 -1.58 0.00 0.00 42.46 37.55 3k4y s ILE 148 CO -0.07 0.04 0.08 -0.62 -1.23 0.00 0.00 174.94 173.15 3k4y s ASP 149 N -1.18 4.08 0.00 3.58 -1.08 0.12 -0.96 116.67 121.22 3k4y s ASP 149 Ca 0.61 -1.66 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 3k4y s ASP 149 Cb -0.31 -0.96 0.00 0.00 -1.46 0.00 0.00 42.92 40.19 3k4y s ASP 149 CO 0.38 -0.40 0.31 -0.90 0.52 0.00 0.00 175.17 175.08 3k4y n ASP 150 N 4.78 0.00 -0.01 -0.34 5.68 -1.26 0.92 116.55 126.32 3k4y n ASP 150 Ca -0.02 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.22 3k4y n ASP 150 Cb 0.42 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 3k4y n ASP 150 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4y n LYS 151 N -0.79 0.15 -0.26 0.11 4.81 -1.26 -4.81 118.16 116.11 3k4y n LYS 151 Ca 0.00 0.06 0.11 0.00 -0.87 0.00 0.00 58.31 57.61 3k4y n LYS 151 Cb 0.00 -0.75 0.27 0.00 0.02 0.00 0.00 35.03 34.57 3k4y n LYS 151 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4y n ASN 152 N -3.54 3.37 0.00 3.14 3.02 -0.82 -5.00 115.26 115.43 3k4y n ASN 152 Ca -0.09 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 3k4y n ASN 152 Cb 0.37 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3k4y n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4y n GLY 153 N 1.51 2.09 3.08 7.41 0.00 0.26 -4.87 105.19 114.68 3k4y n GLY 153 Ca 0.21 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3k4y n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4y s TYR 154 N 0.00 0.85 0.05 1.61 2.02 -1.26 0.15 117.35 120.77 3k4y s TYR 154 Ca 0.00 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3k4y s TYR 154 Cb 0.00 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 3k4y s TYR 154 CO 0.00 -0.03 -0.02 0.50 -1.57 0.00 0.00 175.55 174.44 3k4y s ARG 155 N -1.35 0.61 -0.91 -0.62 6.06 -0.38 -4.76 118.95 117.60 3k4y s ARG 155 Ca -0.05 -1.18 -0.01 0.00 -2.50 0.00 0.00 55.73 51.98 3k4y s ARG 155 Cb -0.09 0.21 0.24 0.00 0.06 0.00 0.00 34.95 35.38 3k4y s ARG 155 CO 0.01 -0.12 0.92 -0.89 -2.50 0.00 0.00 175.30 172.72 3k4y n ILE 156 N 0.16 3.42 -1.56 4.11 5.41 -1.26 -1.47 119.36 128.17 3k4y n ILE 156 Ca -0.14 -5.28 -0.49 0.00 1.00 0.00 0.00 62.75 57.83 3k4y n ILE 156 Cb 0.61 -2.31 -0.04 0.00 -0.71 0.00 0.00 39.64 37.19 3k4y n ILE 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k4y n ILE 157 N 1.96 1.00 -4.08 1.39 3.06 -1.14 -4.83 119.36 116.71 3k4y n ILE 157 Ca 0.24 -0.25 -0.25 0.00 -2.50 0.00 0.00 62.75 59.99 3k4y n ILE 157 Cb 0.37 -0.71 -0.06 0.00 0.54 0.00 0.00 39.64 39.78 3k4y n ILE 157 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3k4y s SER 158 N -0.13 4.49 0.30 9.51 1.04 -1.26 -2.46 113.70 125.18 3k4y s SER 158 Ca 0.73 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 3k4y s SER 158 Cb -0.88 -0.32 0.46 0.00 0.10 0.00 0.00 66.02 65.38 3k4y s SER 158 CO 0.53 -0.64 1.96 1.23 0.98 0.00 0.00 173.24 177.30 3k4y h GLY 159 N 1.30 1.20 2.00 7.32 0.00 -1.92 -0.66 103.07 112.31 3k4y h GLY 159 Ca -0.42 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3k4y h GLY 159 CO 0.68 0.40 -0.00 -0.55 0.00 0.00 0.00 176.54 177.06 3k4y h ASP 160 N 1.10 0.00 0.00 0.19 3.32 -1.96 0.17 116.42 119.24 3k4y h ASP 160 Ca 0.32 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 3k4y h ASP 160 Cb -0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3k4y h ASP 160 CO -0.08 0.00 -0.47 0.44 -1.72 0.00 0.00 179.24 177.41 3k4y h ASP 161 N 0.00 0.00 -0.64 6.45 3.32 -1.54 -3.36 116.42 120.65 3k4y h ASP 161 Ca -0.00 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.64 3k4y h ASP 161 Cb 0.05 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3k4y h ASP 161 CO 0.00 0.99 0.38 0.40 -1.72 0.00 0.00 179.24 179.29 3k4y h ILE 162 N -1.00 1.05 0.79 0.35 2.04 -0.91 -2.74 117.51 117.09 3k4y h ILE 162 Ca -0.10 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3k4y h ILE 162 Cb 0.78 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3k4y h ILE 162 CO -0.06 0.14 -0.44 0.58 0.00 0.00 0.00 178.15 178.36 3k4y h VAL 163 N 0.74 0.00 -0.07 1.67 2.07 -0.86 -0.92 116.25 118.88 3k4y h VAL 163 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 3k4y h VAL 163 Cb 0.06 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3k4y h VAL 163 CO -0.12 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 178.92 3k4y h PRO 164 N -1.14 -0.12 -0.59 1.57 0.13 -1.71 0.33 132.00 130.46 3k4y h PRO 164 Ca -0.11 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.09 3k4y h PRO 164 Cb 0.90 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.96 3k4y h PRO 164 CO 0.14 -0.08 -0.55 -0.92 -0.23 0.00 0.00 178.00 176.35 3k4y h TYR 165 N -0.13 -1.72 -0.72 1.56 3.20 -1.42 -1.05 116.97 116.68 3k4y h TYR 165 Ca 0.06 0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3k4y h TYR 165 Cb 0.21 0.83 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 3k4y h TYR 165 CO -0.19 -0.44 0.23 -0.07 -1.64 0.00 0.00 178.16 176.05 3k4y h LEU 166 N -0.26 1.05 -0.73 2.82 3.38 -0.86 0.85 115.31 121.56 3k4y h LEU 166 Ca 0.10 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3k4y h LEU 166 Cb 0.52 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3k4y h LEU 166 CO -0.69 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.11 3k4y h ALA 167 N 1.11 1.02 0.00 1.53 0.00 -0.34 0.75 119.26 123.33 3k4y h ALA 167 Ca 0.23 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3k4y h ALA 167 Cb 0.30 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k4y h ALA 167 CO -0.01 -0.19 -0.05 -0.97 0.00 0.00 0.00 179.25 178.03 3k4y h ASN 168 N 0.45 0.00 -0.28 0.00 -1.24 -0.60 0.56 115.58 114.47 3k4y h ASN 168 Ca 0.39 -0.91 0.08 0.00 0.71 0.00 0.00 56.30 56.57 3k4y h ASN 168 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 3k4y h ASN 168 CO -0.38 0.98 0.23 -0.08 -1.29 0.00 0.00 177.43 176.89 3k4y h GLU 169 N -1.00 0.00 -0.00 6.67 4.57 0.94 -2.52 114.58 123.24 3k4y h GLU 169 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3k4y h GLU 169 Cb 0.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3k4y h GLU 169 CO -0.01 0.00 -0.27 1.28 -1.18 0.00 0.00 179.01 178.84 3k4y n LEU 170 N -4.21 0.89 -1.60 1.64 4.77 0.26 -5.02 117.00 113.73 3k4y n LEU 170 Ca 0.04 -0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 3k4y n LEU 170 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3k4y n LEU 170 CO 0.33 0.19 0.08 1.17 -1.33 0.00 0.00 177.39 177.83 3k4y n LYS 171 N -0.60 -2.67 -1.73 3.23 3.00 0.61 -4.95 118.16 115.06 3k4y n LYS 171 Ca 0.03 0.28 -0.42 0.00 -0.00 0.00 0.00 58.31 58.20 3k4y n LYS 171 Cb 0.17 -3.66 -0.01 0.00 0.00 0.00 0.00 35.03 31.53 3k4y n LYS 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k4y n ALA 172 N -3.18 1.85 0.09 3.14 0.00 0.16 -4.92 120.51 117.66 3k4y n ALA 172 Ca -0.01 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 3k4y n ALA 172 Cb 0.53 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 3k4y n ALA 172 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k4y h ASP 173 N 3.44 0.56 -3.85 0.00 3.32 -1.07 -3.47 116.42 115.35 3k4y h ASP 173 Ca -0.47 -0.51 -0.28 0.00 0.02 0.00 0.00 57.03 55.79 3k4y h ASP 173 Cb 1.26 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.35 3k4y h ASP 173 CO 0.69 1.35 -0.74 -0.22 -1.72 0.00 0.00 179.24 178.60 3k4y s LEU 174 N -7.53 2.01 -0.10 1.55 2.96 -1.02 -5.01 118.68 111.53 3k4y s LEU 174 Ca -0.06 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3k4y s LEU 174 Cb 0.07 -0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.64 3k4y s LEU 174 CO 0.89 0.02 -0.18 -0.63 -1.32 0.00 0.00 176.35 175.13 3k4y s ILE 175 N -0.10 1.68 -0.10 6.68 1.01 -1.25 -1.72 121.20 127.40 3k4y s ILE 175 Ca 0.01 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3k4y s ILE 175 Cb -0.01 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3k4y s ILE 175 CO -0.00 0.48 -0.20 -0.76 0.00 0.00 0.00 174.94 174.46 3k4y s LEU 176 N 0.73 1.94 -0.49 2.97 1.43 -0.10 -0.55 118.68 124.62 3k4y s LEU 176 Ca -0.11 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3k4y s LEU 176 Cb -0.16 -1.25 0.13 0.00 0.03 0.00 0.00 46.19 44.94 3k4y s LEU 176 CO 0.02 0.09 0.27 -0.31 0.23 0.00 0.00 176.35 176.65 3k4y s TYR 177 N 0.63 3.48 0.09 0.29 2.02 0.78 -0.26 117.35 124.38 3k4y s TYR 177 Ca -0.13 -2.77 -0.29 0.00 -0.37 0.00 0.00 57.07 53.50 3k4y s TYR 177 Cb -0.16 -3.08 -0.05 0.00 -0.40 0.00 0.00 41.96 38.26 3k4y s TYR 177 CO 0.04 -0.88 0.94 0.00 -1.57 0.00 0.00 175.55 174.08 3k4y s ALA 178 N 0.41 3.25 0.32 3.71 0.00 0.10 -2.34 121.76 127.21 3k4y s ALA 178 Ca 0.13 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 3k4y s ALA 178 Cb -0.22 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3k4y s ALA 178 CO -0.04 -0.04 0.66 -2.37 0.00 0.00 0.00 175.76 173.98 3k4y n THR 179 N 2.91 0.00 0.95 0.00 5.66 -0.89 -0.05 114.28 122.86 3k4y n THR 179 Ca 0.02 -0.81 0.07 0.00 -3.05 0.00 0.00 64.05 60.29 3k4y n THR 179 Cb 0.49 0.82 0.23 0.00 -1.55 0.00 0.00 70.33 70.32 3k4y n THR 179 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3k4y n ASP 180 N -1.44 1.90 -4.26 1.09 5.68 -1.26 0.15 116.55 118.41 3k4y n ASP 180 Ca -0.07 -1.91 -0.26 0.00 -0.50 0.00 0.00 54.79 52.05 3k4y n ASP 180 Cb 0.49 -0.20 -0.14 0.00 -1.14 0.00 0.00 41.12 40.13 3k4y n ASP 180 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3k4y s VAL 181 N -1.60 1.74 -1.88 2.12 -7.23 -1.26 -4.95 120.40 107.34 3k4y s VAL 181 Ca 0.27 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 3k4y s VAL 181 Cb 0.14 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3k4y s VAL 181 CO 0.20 0.27 0.29 0.47 -0.31 0.00 0.00 175.10 176.01 3k4y n ASP 182 N 1.94 0.00 0.00 4.85 8.00 -1.26 -2.83 116.55 127.24 3k4y n ASP 182 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3k4y n ASP 182 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3k4y n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k4y n GLY 183 N -0.78 0.89 3.67 0.44 0.00 -1.26 -4.27 105.19 103.89 3k4y n GLY 183 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3k4y n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k4y s VAL 184 N -1.77 3.34 -0.23 1.61 1.01 -1.26 -4.47 120.40 118.62 3k4y s VAL 184 Ca 0.00 0.58 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 3k4y s VAL 184 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3k4y s VAL 184 CO 0.00 -0.03 0.30 -0.76 0.00 0.00 0.00 175.10 174.60 3k4y s LEU 185 N 3.49 4.11 -0.14 3.92 1.43 -1.26 -2.10 118.68 128.14 3k4y s LEU 185 Ca 0.75 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 3k4y s LEU 185 Cb -0.36 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.54 3k4y s LEU 185 CO 0.32 -0.04 -0.22 -0.63 0.23 0.00 0.00 176.35 176.01 3k4y s ILE 186 N 1.36 2.03 -1.09 -0.59 -1.09 0.22 -4.56 121.20 117.47 3k4y s ILE 186 Ca 0.14 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3k4y s ILE 186 Cb -0.14 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 3k4y s ILE 186 CO 0.07 0.54 0.00 0.47 -1.23 0.00 0.00 174.94 174.79 3k4y n ASP 187 N 4.08 -3.85 -0.30 3.58 8.00 -1.26 -0.08 116.55 126.72 3k4y n ASP 187 Ca -0.20 0.21 -0.03 0.00 0.71 0.00 0.00 54.79 55.48 3k4y n ASP 187 Cb 0.51 -3.31 -0.00 0.00 -0.02 0.00 0.00 41.12 38.30 3k4y n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k4y n ASN 188 N -1.65 -2.19 -4.01 -2.24 4.05 -1.26 -5.05 115.26 102.91 3k4y n ASN 188 Ca -0.14 0.02 -0.22 0.00 0.45 0.00 0.00 54.58 54.69 3k4y n ASN 188 Cb 0.59 -1.12 -0.16 0.00 1.23 0.00 0.00 39.78 40.32 3k4y n ASN 188 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3k4y s LYS 189 N -3.57 1.21 -0.52 1.20 2.20 0.89 -5.04 119.74 116.11 3k4y s LYS 189 Ca 0.00 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 54.99 3k4y s LYS 189 Cb 0.00 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 3k4y s LYS 189 CO 0.00 0.08 1.49 -1.25 -0.36 0.00 0.00 175.35 175.32 3k4y s PRO 190 N 0.38 3.28 0.19 4.03 0.04 -1.24 0.69 135.00 142.37 3k4y s PRO 190 Ca -0.07 0.64 -0.32 0.00 0.04 0.00 0.00 61.00 61.30 3k4y s PRO 190 Cb -0.11 -4.14 -0.12 0.00 0.04 0.00 0.00 34.50 30.17 3k4y s PRO 190 CO 0.01 -1.95 1.72 0.96 0.04 0.00 0.00 177.00 177.79 3k4y s ILE 191 N 6.33 2.13 0.38 0.56 -4.36 -0.89 -4.88 121.20 120.47 3k4y s ILE 191 Ca 0.58 0.06 0.13 0.00 -0.26 0.00 0.00 60.65 61.16 3k4y s ILE 191 Cb -0.12 -3.04 0.35 0.00 1.25 0.00 0.00 42.46 40.90 3k4y s ILE 191 CO 0.27 0.00 1.84 0.50 0.24 0.00 0.00 174.94 177.79 3k4y h LYS 192 N 7.00 0.53 -3.37 0.37 3.64 -1.93 -3.38 116.57 119.43 3k4y h LYS 192 Ca -0.43 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3k4y h LYS 192 Cb 1.20 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 3k4y h LYS 192 CO 0.95 0.35 0.06 0.50 -2.27 0.00 0.00 179.45 179.04 3k4y s ARG 193 N -5.57 1.78 -0.19 1.90 3.52 -1.26 -2.66 118.95 116.47 3k4y s ARG 193 Ca -0.09 -1.24 -0.07 0.00 -0.13 0.00 0.00 55.73 54.20 3k4y s ARG 193 Cb 0.23 0.54 0.09 0.00 -1.56 0.00 0.00 34.95 34.25 3k4y s ARG 193 CO 0.79 -0.78 0.40 0.42 -0.81 0.00 0.00 175.30 175.31 3k4y s ILE 194 N -3.62 -0.59 0.00 4.11 1.01 0.12 -4.81 121.20 117.43 3k4y s ILE 194 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3k4y s ILE 194 Cb -0.03 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.80 3k4y s ILE 194 CO 0.10 0.08 0.00 0.47 0.00 0.00 0.00 174.94 175.58 3k4y n ASP 195 N 5.34 0.00 0.09 3.58 8.00 -1.26 -1.37 116.55 130.93 3k4y n ASP 195 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.53 3k4y n ASP 195 Cb 0.50 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.78 3k4y n ASP 195 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3k4y h LYS 196 N 0.00 0.00 0.00 -1.24 2.10 -2.01 -3.32 116.57 112.10 3k4y h LYS 196 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4y h LYS 196 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3k4y h LYS 196 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3k4y n ASN 197 N -2.33 0.00 0.00 7.07 3.02 -1.26 -4.35 115.26 117.41 3k4y n ASN 197 Ca 0.03 0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.76 3k4y n ASN 197 Cb 0.47 -0.12 0.44 0.00 -0.61 0.00 0.00 39.78 39.96 3k4y n ASN 197 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k4y n ASN 198 N -0.90 0.00 0.23 6.41 6.94 -1.26 -3.82 115.26 122.87 3k4y n ASN 198 Ca 0.00 -1.17 -0.14 0.00 -0.02 0.00 0.00 54.58 53.24 3k4y n ASN 198 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 3k4y n ASN 198 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3k4y h ILE 199 N 0.00 0.49 -0.95 1.53 2.10 -1.76 -3.23 117.51 115.69 3k4y h ILE 199 Ca 0.00 -0.40 0.13 0.00 1.08 0.00 0.00 64.86 65.67 3k4y h ILE 199 Cb 0.00 0.66 -0.14 0.00 -1.09 0.00 0.00 36.82 36.25 3k4y h ILE 199 CO 0.00 0.06 -0.44 0.22 -1.08 0.00 0.00 178.15 176.91 3k4y h TYR 200 N -0.86 -1.31 0.00 2.19 3.20 -1.80 0.86 116.97 119.25 3k4y h TYR 200 Ca -0.06 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3k4y h TYR 200 Cb 0.57 0.71 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3k4y h TYR 200 CO 0.00 -0.40 0.00 1.17 -1.64 0.00 0.00 178.16 177.30 3k4y n LYS 201 N -5.41 0.55 -0.09 1.82 4.81 -1.24 -3.21 118.16 115.40 3k4y n LYS 201 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.35 3k4y n LYS 201 Cb 0.36 -1.21 -0.07 0.00 0.02 0.00 0.00 35.03 34.12 3k4y n LYS 201 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3k4y n ILE 202 N -0.71 1.00 -0.18 3.15 5.41 0.29 -3.73 119.36 124.59 3k4y n ILE 202 Ca 0.06 -0.32 0.24 0.00 1.00 0.00 0.00 62.75 63.72 3k4y n ILE 202 Cb 0.03 -1.42 0.64 0.00 -0.71 0.00 0.00 39.64 38.18 3k4y n ILE 202 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3k4y h LEU 203 N -0.32 0.15 0.23 1.39 -0.00 -1.40 -0.15 115.31 115.22 3k4y h LEU 203 Ca -0.42 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.46 3k4y h LEU 203 Cb 1.51 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 3k4y h LEU 203 CO -0.17 0.06 -0.11 -1.13 -0.00 0.00 0.00 178.44 177.09 3k4y h ASN 204 N 0.15 -0.26 -0.99 -0.43 -0.73 -1.75 -3.08 115.58 108.49 3k4y h ASN 204 Ca 0.42 -0.26 0.28 0.00 1.87 0.00 0.00 56.30 58.60 3k4y h ASN 204 Cb 1.40 0.07 -0.14 0.00 0.27 0.00 0.00 38.32 39.92 3k4y h ASN 204 CO -0.07 0.22 0.54 0.22 -0.37 0.00 0.00 177.43 177.98 3k4y h TYR 205 N -0.86 0.90 -1.99 0.67 5.03 -1.40 -3.52 116.97 115.80 3k4y h TYR 205 Ca -0.03 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 3k4y h TYR 205 Cb 0.51 -0.24 0.02 0.00 1.55 0.00 0.00 36.73 38.57 3k4y h TYR 205 CO 0.06 -0.08 0.03 1.28 -1.32 0.00 0.00 178.16 178.13 3k4y n LEU 206 N -5.00 0.00 0.00 2.82 4.77 -0.16 -5.11 117.00 114.32 3k4y n LEU 206 Ca 0.29 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3k4y n LEU 206 Cb 0.85 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3k4y n LEU 206 CO 0.12 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.00 3k4y n GLY 217 N 3.26 0.00 0.00 -0.72 0.00 -1.26 -4.98 105.19 101.49 3k4y n GLY 217 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k4y n GLY 217 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3k4y n MET 218 N 0.00 1.60 0.38 1.61 -0.00 -1.26 -4.80 117.12 114.66 3k4y n MET 218 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.70 57.55 3k4y n MET 218 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 33.22 33.15 3k4y n MET 218 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3k4y h LYS 219 N 0.00 -0.94 -0.84 3.17 3.64 -2.00 -3.22 116.57 116.39 3k4y h LYS 219 Ca 0.00 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3k4y h LYS 219 Cb 0.00 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 3k4y h LYS 219 CO 0.00 -0.62 -0.44 0.98 -2.27 0.00 0.00 179.45 177.09 3k4y n TYR 220 N -4.71 -0.25 0.00 1.91 -0.00 -1.26 -1.81 117.16 111.04 3k4y n TYR 220 Ca -0.12 1.04 0.00 0.00 -0.00 0.00 0.00 57.90 58.82 3k4y n TYR 220 Cb 0.38 -0.64 0.00 0.00 -0.00 0.00 0.00 39.34 39.08 3k4y n TYR 220 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3k4y n LYS 221 N -5.11 0.00 0.00 2.98 5.02 -1.24 -2.29 118.16 117.53 3k4y n LYS 221 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3k4y n LYS 221 Cb 0.25 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 3k4y n LYS 221 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4y n ILE 222 N 0.00 0.00 0.39 -0.18 5.41 -1.15 0.56 119.36 124.39 3k4y n ILE 222 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 3k4y n ILE 222 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 3k4y n ILE 222 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3k4y h GLU 223 N 0.00 -0.97 -0.82 0.38 5.08 -1.19 -2.61 114.58 114.45 3k4y h GLU 223 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3k4y h GLU 223 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3k4y h GLU 223 CO 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 179.01 177.38 3k4y n MET 224 N -5.45 2.43 0.00 2.33 0.00 0.19 -1.71 117.12 114.92 3k4y n MET 224 Ca -0.13 -1.17 0.03 0.00 0.00 0.00 0.00 57.70 56.43 3k4y n MET 224 Cb 0.40 -1.77 0.02 0.00 0.00 0.00 0.00 33.22 31.87 3k4y n MET 224 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3k4y n ILE 225 N 0.24 0.00 -0.09 3.17 -5.35 -1.01 -4.23 119.36 112.08 3k4y n ILE 225 Ca 0.10 -0.48 -0.11 0.00 -0.27 0.00 0.00 62.75 61.99 3k4y n ILE 225 Cb 0.59 1.10 -0.13 0.00 -1.74 0.00 0.00 39.64 39.47 3k4y n ILE 225 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3k4y n ARG 226 N 0.13 0.96 0.22 6.28 1.85 -0.99 -2.30 116.66 122.81 3k4y n ARG 226 Ca 0.03 0.04 0.14 0.00 -1.00 0.00 0.00 57.85 57.05 3k4y n ARG 226 Cb 0.14 -1.45 0.73 0.00 -1.05 0.00 0.00 32.46 30.83 3k4y n ARG 226 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3k4y h LYS 227 N 0.00 0.00 -0.29 2.89 3.64 -1.53 0.35 116.57 121.64 3k4y h LYS 227 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3k4y h LYS 227 Cb 1.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 3k4y h LYS 227 CO -0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.26 3k4y n ASN 228 N -2.47 3.11 -4.13 4.20 3.02 -1.26 -4.98 115.26 112.74 3k4y n ASN 228 Ca -0.02 -2.31 -0.35 0.00 -0.03 0.00 0.00 54.58 51.86 3k4y n ASN 228 Cb 0.10 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 3k4y n ASN 228 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k4y n LYS 229 N 0.09 -1.12 -1.68 3.52 5.02 0.12 -4.91 118.16 119.21 3k4y n LYS 229 Ca 0.13 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.48 3k4y n LYS 229 Cb 0.55 -3.43 0.05 0.00 -0.02 0.00 0.00 35.03 32.18 3k4y n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k4y s ARG 231 N -3.58 0.63 0.40 0.00 3.52 -1.25 0.53 118.95 119.21 3k4y s ARG 231 Ca 0.31 -0.15 0.07 0.00 -0.13 0.00 0.00 55.73 55.84 3k4y s ARG 231 Cb -0.02 -0.16 -0.07 0.00 -1.56 0.00 0.00 34.95 33.14 3k4y s ARG 231 CO 0.21 -1.13 0.04 0.20 -0.81 0.00 0.00 175.30 173.81 3k4y s GLY 232 N 2.11 2.43 -0.12 8.12 0.00 -1.02 -3.86 107.32 114.98 3k4y s GLY 232 Ca 0.13 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 42.62 3k4y s GLY 232 CO -0.16 -2.05 -0.14 -1.36 0.00 0.00 0.00 173.10 169.40 3k4y s PHE 233 N -2.67 2.79 -0.24 1.90 0.40 0.29 -1.51 117.98 118.93 3k4y s PHE 233 Ca 0.36 -0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 3k4y s PHE 233 Cb 0.08 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 3k4y s PHE 233 CO 0.19 -0.19 0.09 0.08 0.70 0.00 0.00 175.22 176.10 3k4y s VAL 234 N 0.25 4.65 0.05 -0.44 1.01 -0.10 -0.15 120.40 125.66 3k4y s VAL 234 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3k4y s VAL 234 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3k4y s VAL 234 CO 0.05 0.36 0.06 2.22 0.00 0.00 0.00 175.10 177.79 3k4y n PHE 235 N 4.54 -0.48 -3.58 5.22 1.16 -0.99 0.23 117.46 123.57 3k4y n PHE 235 Ca -0.16 -0.34 -0.40 0.00 -1.87 0.00 0.00 57.45 54.68 3k4y n PHE 235 Cb 0.52 0.07 -0.11 0.00 -1.61 0.00 0.00 39.48 38.35 3k4y n PHE 235 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3k4y s ASN 236 N -1.31 5.82 0.00 5.98 3.84 -1.13 -2.09 114.94 126.06 3k4y s ASN 236 Ca 0.04 -0.69 0.30 0.00 0.21 0.00 0.00 52.86 52.73 3k4y s ASN 236 Cb -0.00 -2.07 1.50 0.00 -0.55 0.00 0.00 41.25 40.13 3k4y s ASN 236 CO 0.03 -0.30 2.02 0.61 -2.79 0.00 0.00 177.10 176.67 3k4y n GLY 237 N 5.05 -0.99 0.10 1.21 0.00 0.39 -3.60 105.19 107.35 3k4y n GLY 237 Ca -0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 3k4y n GLY 237 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k4y h ASN 238 N 0.36 0.00 -3.18 1.61 2.35 -1.93 -3.45 115.58 111.34 3k4y h ASN 238 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3k4y h ASN 238 Cb 0.24 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 3k4y h ASN 238 CO 0.00 0.59 0.89 -0.75 -1.65 0.00 0.00 177.43 176.51 3k4y s LYS 239 N -2.91 4.07 0.11 0.81 2.20 -1.24 -4.94 119.74 117.83 3k4y s LYS 239 Ca -0.02 1.24 -0.35 0.00 -0.36 0.00 0.00 55.97 56.48 3k4y s LYS 239 Cb 0.09 -3.77 -0.17 0.00 -1.51 0.00 0.00 37.83 32.46 3k4y s LYS 239 CO 0.80 -0.91 1.07 0.00 -0.36 0.00 0.00 175.35 175.95 3k4y n ALA 240 N 7.00 -2.02 0.00 3.13 0.00 -1.26 -1.35 120.51 126.01 3k4y n ALA 240 Ca 0.13 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3k4y n ALA 240 Cb 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3k4y n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k4y n ASN 241 N 1.93 0.00 -0.17 0.00 3.02 -1.26 -4.91 115.26 113.87 3k4y n ASN 241 Ca 0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.66 3k4y n ASN 241 Cb 0.19 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3k4y n ASN 241 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3k4y h ASN 242 N 0.00 0.60 -0.32 6.41 -0.26 -1.50 -1.54 115.58 118.97 3k4y h ASN 242 Ca 0.00 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3k4y h ASN 242 Cb 0.00 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 3k4y h ASN 242 CO 0.00 0.45 0.07 0.40 -1.06 0.00 0.00 177.43 177.29 3k4y h ILE 243 N 0.70 1.22 0.16 2.81 2.04 -1.84 0.11 117.51 122.70 3k4y h ILE 243 Ca 0.19 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3k4y h ILE 243 Cb -0.06 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3k4y h ILE 243 CO -0.04 0.25 -0.52 0.22 0.00 0.00 0.00 178.15 178.06 3k4y h TYR 244 N 0.35 -1.50 -0.22 1.37 3.20 -1.77 -1.71 116.97 116.69 3k4y h TYR 244 Ca 0.10 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3k4y h TYR 244 Cb 0.30 0.63 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 3k4y h TYR 244 CO 0.02 -0.60 -0.14 0.87 -1.64 0.00 0.00 178.16 176.67 3k4y h LYS 245 N -0.78 -0.12 -1.01 1.82 1.57 -1.14 -1.53 116.57 115.39 3k4y h LYS 245 Ca -0.01 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 3k4y h LYS 245 Cb 0.77 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.99 3k4y h LYS 245 CO -0.26 -0.08 0.61 0.00 -0.57 0.00 0.00 179.45 179.14 3k4y h ALA 246 N 1.04 1.87 0.00 3.86 0.00 -0.51 0.94 119.26 126.46 3k4y h ALA 246 Ca 0.13 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3k4y h ALA 246 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k4y h ALA 246 CO -0.30 -0.34 -0.40 -0.07 0.00 0.00 0.00 179.25 178.15 3k4y h LEU 247 N 0.54 0.00 -0.57 0.00 3.38 -0.34 -2.76 115.31 115.56 3k4y h LEU 247 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3k4y h LEU 247 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3k4y h LEU 247 CO -0.45 0.40 0.00 0.18 0.09 0.00 0.00 178.44 178.65 3k4y n LEU 248 N -3.54 0.84 0.00 1.67 4.32 0.30 -4.86 117.00 115.73 3k4y n LEU 248 Ca -0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 3k4y n LEU 248 Cb 0.52 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3k4y n LEU 248 CO 0.37 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 3k4y n GLY 249 N 0.85 0.70 3.94 -0.72 0.00 -1.04 -5.07 105.19 103.85 3k4y n GLY 249 Ca 0.10 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3k4y n GLY 249 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k4y s GLU 250 N -2.67 2.22 -0.11 1.61 2.56 -1.08 -5.05 118.70 116.17 3k4y s GLU 250 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.97 54.54 3k4y s GLU 250 Cb 0.00 -2.25 0.02 0.00 2.00 0.00 0.00 34.13 33.90 3k4y s GLU 250 CO 0.00 -1.15 -0.12 0.14 -0.56 0.00 0.00 175.26 173.58 3k4y s VAL 251 N -3.13 1.26 0.00 3.70 -7.23 -1.26 -4.62 120.40 109.12 3k4y s VAL 251 Ca 0.60 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 3k4y s VAL 251 Cb -0.10 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.64 3k4y s VAL 251 CO 0.43 0.40 0.60 -0.62 -0.31 0.00 0.00 175.10 175.60 3k4y n GLU 252 N 4.44 0.86 0.00 4.82 4.71 -1.26 -5.08 120.64 129.12 3k4y n GLU 252 Ca -0.17 -0.77 0.00 0.00 -0.01 0.00 0.00 57.16 56.20 3k4y n GLU 252 Cb 0.51 -0.78 0.00 0.00 -1.01 0.00 0.00 31.44 30.16 3k4y n GLU 252 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k4y n GLY 253 N -0.18 4.89 3.66 0.62 0.00 -1.26 -4.78 105.19 108.15 3k4y n GLY 253 Ca 0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3k4y n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4y s THR 254 N 2.43 5.25 0.04 2.61 2.01 0.14 -4.72 115.64 123.40 3k4y s THR 254 Ca 0.00 0.51 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 3k4y s THR 254 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 3k4y s THR 254 CO 0.00 0.28 0.58 -0.70 -0.69 0.00 0.00 174.62 174.08 3k4y s GLU 255 N 1.29 4.25 -0.37 4.92 2.12 -1.09 -0.92 118.70 128.90 3k4y s GLU 255 Ca 0.15 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.22 3k4y s GLU 255 Cb -0.14 -3.29 0.11 0.00 0.26 0.00 0.00 34.13 31.07 3k4y s GLU 255 CO 0.07 0.51 0.14 0.42 -0.54 0.00 0.00 175.26 175.86 3k4y s ILE 256 N -0.68 1.58 -0.17 -3.70 1.01 -0.57 0.16 121.20 118.83 3k4y s ILE 256 Ca 0.30 -2.15 -0.09 0.00 0.00 0.00 0.00 60.65 58.71 3k4y s ILE 256 Cb -0.19 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3k4y s ILE 256 CO 0.18 -0.72 0.14 -0.62 0.00 0.00 0.00 174.94 173.92 3k4y s ASP 257 N 0.91 6.28 0.00 3.58 3.68 -0.47 -2.43 116.67 128.22 3k4y s ASP 257 Ca 0.13 0.33 0.00 0.00 2.13 0.00 0.00 52.55 55.14 3k4y s ASP 257 Cb -0.20 -2.09 0.00 0.00 -1.45 0.00 0.00 42.92 39.18 3k4y s ASP 257 CO -0.11 0.25 0.00 0.49 0.13 0.00 0.00 175.17 175.93