#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krk n HIS 34 N 0.00 2.43 0.33 -1.40 -0.00 -1.26 -4.87 115.22 110.45 3krk n HIS 34 Ca 0.00 0.13 0.22 0.00 0.46 0.00 0.00 57.72 58.53 3krk n HIS 34 Cb 0.00 -2.61 1.11 0.00 -0.12 0.00 0.00 29.99 28.37 3krk n HIS 34 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3krk h PRO 35 N 6.82 0.00 -0.27 1.57 0.11 -1.87 -2.49 132.00 135.86 3krk h PRO 35 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3krk h PRO 35 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3krk h PRO 35 CO 0.92 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3krk n SER 38 N -4.54 0.03 -3.81 0.00 3.41 -1.26 -3.99 113.62 103.46 3krk n SER 38 Ca 0.16 -1.64 -0.35 0.00 -0.26 0.00 0.00 58.87 56.78 3krk n SER 38 Cb 0.48 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3krk n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3krk n ASN 39 N -0.66 -4.98 0.15 4.04 3.02 -0.61 -4.89 115.26 111.31 3krk n ASN 39 Ca 0.09 -1.07 0.02 0.00 -0.03 0.00 0.00 54.58 53.58 3krk n ASN 39 Cb 0.04 -2.67 0.16 0.00 -0.61 0.00 0.00 39.78 36.71 3krk n ASN 39 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3krk h PRO 40 N -1.89 0.00 -6.26 3.52 0.13 -1.92 -3.44 132.00 122.14 3krk h PRO 40 Ca -0.65 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 63.93 3krk h PRO 40 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3krk h PRO 40 CO 0.47 0.54 0.31 0.00 -0.23 0.00 0.00 178.00 179.09 3krk s GLN 42 N 1.10 2.62 -1.45 0.00 -1.52 0.04 -4.62 119.66 115.82 3krk s GLN 42 Ca 0.47 -1.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.37 3krk s GLN 42 Cb -0.20 -2.42 0.03 0.00 -0.22 0.00 0.00 33.01 30.20 3krk s GLN 42 CO 0.23 -0.06 0.92 0.09 -0.25 0.00 0.00 175.29 176.22 3krk n ASN 43 N -1.47 -5.87 -0.00 5.90 3.02 -1.26 -1.84 115.26 113.74 3krk n ASN 43 Ca 0.01 -0.49 -0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3krk n ASN 43 Cb 0.61 -4.68 -0.00 0.00 -0.61 0.00 0.00 39.78 35.10 3krk n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3krk n ARG 44 N -4.55 -0.02 -2.21 3.52 5.12 -1.26 -4.81 116.66 112.46 3krk n ARG 44 Ca -0.03 0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.63 3krk n ARG 44 Cb 0.57 -3.27 -0.02 0.00 -1.16 0.00 0.00 32.46 28.58 3krk n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3krk s GLY 45 N -2.26 2.98 -0.19 -0.13 0.00 -0.77 -4.97 107.32 101.98 3krk s GLY 45 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 3krk s GLY 45 CO 0.00 1.75 0.20 -0.54 0.00 0.00 0.00 173.10 174.51 3krk s GLU 46 N -1.87 4.20 -0.01 2.90 2.02 -0.47 -4.66 118.70 120.81 3krk s GLU 46 Ca 0.50 -0.10 -0.19 0.00 0.02 0.00 0.00 54.97 55.21 3krk s GLU 46 Cb -0.36 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 3krk s GLU 46 CO 0.48 0.23 0.53 0.00 0.02 0.00 0.00 175.26 176.52 3krk s MET 48 N -0.38 0.21 0.36 0.00 0.00 -0.67 -5.00 119.30 113.82 3krk s MET 48 Ca 0.28 0.05 -0.26 0.00 0.00 0.00 0.00 55.69 55.76 3krk s MET 48 Cb -0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 34.83 34.21 3krk s MET 48 CO 0.15 -0.09 1.13 -1.54 0.00 0.00 0.00 175.02 174.67 3krk s SER 49 N 0.72 6.81 -0.12 1.11 1.04 -1.26 -0.63 113.70 121.36 3krk s SER 49 Ca -0.07 2.26 0.15 0.00 0.48 0.00 0.00 55.95 58.77 3krk s SER 49 Cb -0.10 -2.61 0.35 0.00 0.10 0.00 0.00 66.02 63.76 3krk s SER 49 CO -0.01 -0.47 1.17 0.35 0.98 0.00 0.00 173.24 175.25 3krk n THR 50 N 0.39 1.36 -0.47 2.02 -2.24 0.42 -4.85 114.28 110.92 3krk n THR 50 Ca 0.03 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 3krk n THR 50 Cb 0.47 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3krk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krk n GLY 51 N -0.67 -1.26 0.20 3.38 0.00 -1.24 -4.81 105.19 100.80 3krk n GLY 51 Ca 0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 3krk n GLY 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3krk h PHE 52 N 0.00 0.42 -0.01 1.61 0.04 -1.97 -3.33 116.94 113.70 3krk h PHE 52 Ca 0.00 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.64 3krk h PHE 52 Cb 0.00 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3krk h PHE 52 CO 0.00 0.76 -0.27 -0.25 -0.60 0.00 0.00 178.31 177.95 3krk n ASP 53 N -3.98 1.11 -4.32 2.17 8.00 -1.26 -4.34 116.55 113.93 3krk n ASP 53 Ca -0.02 -1.06 -0.26 0.00 0.71 0.00 0.00 54.79 54.16 3krk n ASP 53 Cb 0.53 0.56 -0.13 0.00 -0.02 0.00 0.00 41.12 42.07 3krk n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3krk s GLN 54 N -1.51 1.30 0.30 -1.24 1.11 -1.25 -4.90 119.66 113.47 3krk s GLN 54 Ca 0.08 -1.18 0.04 0.00 0.01 0.00 0.00 55.36 54.31 3krk s GLN 54 Cb 0.08 -1.61 -0.06 0.00 -1.01 0.00 0.00 33.01 30.42 3krk s GLN 54 CO 0.29 0.38 0.03 1.52 0.01 0.00 0.00 175.29 177.53 3krk s TYR 55 N -1.05 1.91 0.00 0.91 -0.85 -1.26 -0.44 117.35 116.58 3krk s TYR 55 Ca 0.09 -0.91 0.01 0.00 -0.52 0.00 0.00 57.07 55.74 3krk s TYR 55 Cb -0.10 -1.21 -0.00 0.00 0.38 0.00 0.00 41.96 41.03 3krk s TYR 55 CO 0.04 0.05 -0.02 0.21 -1.52 0.00 0.00 175.55 174.31 3krk s LYS 56 N -3.86 0.17 -0.21 -3.49 2.20 0.20 -4.78 119.74 109.97 3krk s LYS 56 Ca 0.34 -0.14 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 3krk s LYS 56 Cb 0.08 -0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 3krk s LYS 56 CO 0.14 0.03 0.17 0.00 -0.36 0.00 0.00 175.35 175.33 3krk s ASP 58 N 0.59 6.32 0.00 0.00 -1.08 0.24 -4.91 116.67 117.82 3krk s ASP 58 Ca 0.09 -0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.29 3krk s ASP 58 Cb -0.12 -2.27 0.49 0.00 -1.46 0.00 0.00 42.92 39.56 3krk s ASP 58 CO 0.01 -0.50 1.42 0.00 0.52 0.00 0.00 175.17 176.62 3krk n THR 60 N 1.43 0.19 -1.73 0.00 -1.04 -1.26 -1.85 114.28 110.02 3krk n THR 60 Ca 0.20 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.99 3krk n THR 60 Cb 0.59 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 68.09 3krk n THR 60 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3krk n ARG 61 N 4.73 -1.39 0.06 -2.82 1.74 -1.26 -4.85 116.66 112.87 3krk n ARG 61 Ca 0.28 1.13 0.02 0.00 -0.77 0.00 0.00 57.85 58.51 3krk n ARG 61 Cb 0.07 -5.50 -0.05 0.00 -1.02 0.00 0.00 32.46 25.95 3krk n ARG 61 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3krk h THR 62 N 0.00 0.44 0.00 0.55 1.35 -1.68 -3.48 112.91 110.09 3krk h THR 62 Ca -0.41 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 3krk h THR 62 Cb 1.28 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3krk h THR 62 CO 0.57 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3krk n GLY 63 N 1.33 0.74 3.25 5.82 0.00 -1.26 -5.02 105.19 110.06 3krk n GLY 63 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3krk n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krk s PHE 64 N -2.42 1.40 0.22 1.61 0.08 -1.26 -1.59 117.98 116.02 3krk s PHE 64 Ca 0.00 -0.58 0.04 0.00 0.12 0.00 0.00 56.93 56.51 3krk s PHE 64 Cb 0.00 -0.72 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 3krk s PHE 64 CO 0.00 0.15 0.14 2.48 -0.10 0.00 0.00 175.22 177.89 3krk n TYR 65 N 0.38 -0.29 0.00 0.36 0.18 -0.01 -4.80 117.16 112.97 3krk n TYR 65 Ca -0.14 -1.69 0.00 0.00 1.88 0.00 0.00 57.90 57.95 3krk n TYR 65 Cb 0.58 0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 3krk n TYR 65 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3krk n GLY 66 N -0.13 1.61 0.32 -7.48 0.00 -1.26 -1.44 105.19 96.82 3krk n GLY 66 Ca 0.02 -1.96 0.21 0.00 0.00 0.00 0.00 46.02 44.29 3krk n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3krk h GLU 67 N 0.00 0.17 -0.03 1.61 4.81 -2.01 -1.51 114.58 117.62 3krk h GLU 67 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3krk h GLU 67 Cb 0.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3krk h GLU 67 CO 0.00 0.11 -0.06 0.09 -0.73 0.00 0.00 179.01 178.42 3krk n ASN 68 N -5.21 2.40 -3.73 1.04 3.02 -1.26 -4.09 115.26 107.42 3krk n ASN 68 Ca 0.29 -3.20 -0.27 0.00 -0.03 0.00 0.00 54.58 51.38 3krk n ASN 68 Cb 0.93 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 3krk n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krk n THR 70 N -4.21 0.00 -3.01 0.00 -2.24 -1.09 -4.40 114.28 99.32 3krk n THR 70 Ca -0.20 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 3krk n THR 70 Cb 0.64 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 3krk n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3krk s THR 71 N -0.90 4.71 0.45 4.28 2.01 -0.52 -4.94 115.64 120.73 3krk s THR 71 Ca 0.00 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 3krk s THR 71 Cb 0.00 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 3krk s THR 71 CO 0.01 -0.67 1.00 -2.16 -0.69 0.00 0.00 174.62 172.11 3krk s PRO 72 N 3.13 4.04 0.81 4.92 0.04 -1.26 -0.83 135.00 145.85 3krk s PRO 72 Ca 0.28 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 3krk s PRO 72 Cb -0.13 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3krk s PRO 72 CO 0.21 -0.22 1.11 -1.21 0.04 0.00 0.00 177.00 176.93 3krk s GLU 73 N -3.07 2.02 0.10 4.56 2.02 -0.62 -4.84 118.70 118.86 3krk s GLU 73 Ca 0.63 0.51 -0.23 0.00 0.02 0.00 0.00 54.97 55.91 3krk s GLU 73 Cb -0.14 -1.92 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 3krk s GLU 73 CO 0.18 -1.64 1.72 0.35 0.02 0.00 0.00 175.26 175.90 3krk h PHE 74 N -1.10 -0.11 -0.90 1.61 3.57 -1.97 -0.11 116.94 117.95 3krk h PHE 74 Ca -0.47 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.08 3krk h PHE 74 Cb 1.28 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 3krk h PHE 74 CO 0.43 -0.07 0.57 -0.07 -2.23 0.00 0.00 178.31 176.94 3krk h LEU 75 N -0.07 0.93 -0.73 0.59 -0.00 -1.95 -1.76 115.31 112.32 3krk h LEU 75 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 3krk h LEU 75 Cb 0.10 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.53 3krk h LEU 75 CO -0.06 0.62 0.48 0.74 -0.00 0.00 0.00 178.44 180.22 3krk h THR 76 N 1.08 1.18 -0.60 0.22 2.02 -1.74 -0.78 112.91 114.29 3krk h THR 76 Ca 0.37 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.27 3krk h THR 76 Cb 0.08 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 3krk h THR 76 CO -0.14 0.18 0.32 0.03 0.37 0.00 0.00 175.52 176.27 3krk h ARG 77 N 0.98 0.57 -0.26 6.66 3.08 -0.17 -0.77 114.38 124.48 3krk h ARG 77 Ca 0.27 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3krk h ARG 77 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3krk h ARG 77 CO -0.06 0.38 0.04 0.82 -1.07 0.00 0.00 179.97 180.07 3krk h ILE 78 N 0.59 1.23 -0.87 2.04 5.03 -1.01 -2.30 117.51 122.22 3krk h ILE 78 Ca 0.27 -0.79 0.02 0.00 -0.12 0.00 0.00 64.86 64.24 3krk h ILE 78 Cb 0.18 1.25 -0.05 0.00 -3.03 0.00 0.00 36.82 35.18 3krk h ILE 78 CO -0.18 0.25 0.57 0.11 -0.68 0.00 0.00 178.15 178.22 3krk h LYS 79 N 0.24 1.10 0.00 2.37 1.57 -0.90 -2.38 116.57 118.57 3krk h LYS 79 Ca 0.08 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3krk h LYS 79 Cb 0.34 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3krk h LYS 79 CO 0.01 0.73 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.11 3krk h LEU 80 N 1.14 0.00 -0.68 2.94 3.38 -1.10 -2.59 115.31 118.40 3krk h LEU 80 Ca 0.33 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 3krk h LEU 80 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3krk h LEU 80 CO -0.09 0.43 -0.62 -0.07 0.09 0.00 0.00 178.44 178.19 3krk h LEU 81 N 0.00 0.17 -2.64 1.67 4.07 -0.92 -3.30 115.31 114.36 3krk h LEU 81 Ca -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3krk h LEU 81 Cb 0.92 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.61 3krk h LEU 81 CO 0.06 0.75 0.00 0.18 -1.08 0.00 0.00 178.44 178.34 3krk n LEU 82 N -3.84 3.27 -4.58 1.67 4.32 -0.99 -4.95 117.00 111.89 3krk n LEU 82 Ca -0.02 -1.84 -0.41 0.00 -0.02 0.00 0.00 56.01 53.72 3krk n LEU 82 Cb 0.62 -0.30 -0.08 0.00 -1.62 0.00 0.00 43.42 42.05 3krk n LEU 82 CO 0.44 0.79 0.25 -0.75 -1.22 0.00 0.00 177.39 176.89 3krk s LYS 83 N -1.07 3.81 0.59 3.23 2.20 -0.98 -5.06 119.74 122.46 3krk s LYS 83 Ca 0.33 0.05 -0.18 0.00 -0.36 0.00 0.00 55.97 55.81 3krk s LYS 83 Cb 0.18 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3krk s LYS 83 CO 0.24 -0.54 1.14 -1.25 -0.36 0.00 0.00 175.35 174.59 3krk s PRO 84 N 2.39 3.06 0.51 4.03 0.04 -1.26 -5.01 135.00 138.77 3krk s PRO 84 Ca 0.20 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 3krk s PRO 84 Cb -0.15 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3krk s PRO 84 CO 0.12 -1.08 1.03 0.95 0.04 0.00 0.00 177.00 178.05 3krk s THR 85 N -1.89 3.95 0.45 1.26 -4.23 -1.26 -4.90 115.64 109.02 3krk s THR 85 Ca 0.72 1.10 0.24 0.00 -1.18 0.00 0.00 61.69 62.57 3krk s THR 85 Cb -0.25 -3.48 0.43 0.00 1.34 0.00 0.00 72.50 70.55 3krk s THR 85 CO 0.33 -0.38 1.81 -0.65 -0.54 0.00 0.00 174.62 175.19 3krk h PRO 86 N 1.21 0.25 -0.33 3.99 0.11 -1.95 -1.68 132.00 133.60 3krk h PRO 86 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3krk h PRO 86 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3krk h PRO 86 CO 0.59 0.17 0.02 -0.91 -0.21 0.00 0.00 178.00 177.65 3krk h ASN 87 N 0.26 0.56 -0.35 -2.05 4.21 -1.99 -2.05 115.58 114.16 3krk h ASN 87 Ca 0.54 -0.30 -0.09 0.00 1.21 0.00 0.00 56.30 57.66 3krk h ASN 87 Cb 1.62 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 38.65 3krk h ASN 87 CO -0.17 0.72 -0.09 0.00 -1.29 0.00 0.00 177.43 176.59 3krk h THR 88 N 0.39 1.25 -0.55 2.81 1.03 -1.69 -1.85 112.91 114.29 3krk h THR 88 Ca 0.10 -1.14 -0.08 0.00 -0.01 0.00 0.00 66.41 65.28 3krk h THR 88 Cb 0.42 1.02 -0.02 0.00 -1.07 0.00 0.00 68.15 68.50 3krk h THR 88 CO 0.01 0.39 0.02 0.58 -0.01 0.00 0.00 175.52 176.52 3krk h VAL 89 N 0.71 1.25 -0.68 0.00 2.07 -1.45 -2.03 116.25 116.12 3krk h VAL 89 Ca 0.12 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3krk h VAL 89 Cb 0.57 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3krk h VAL 89 CO 0.03 0.38 0.33 -0.74 0.02 0.00 0.00 177.57 177.59 3krk h HIS 90 N 0.86 0.98 0.00 1.57 6.17 -1.16 -2.03 115.15 121.54 3krk h HIS 90 Ca 0.16 -0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.21 3krk h HIS 90 Cb 0.47 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 3krk h HIS 90 CO 0.03 0.73 -0.06 -0.92 0.71 0.00 0.00 177.93 178.42 3krk h TYR 91 N 0.95 -0.15 -0.61 5.26 3.20 -0.97 -1.58 116.97 123.08 3krk h TYR 91 Ca 0.23 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3krk h TYR 91 Cb 0.11 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3krk h TYR 91 CO 0.00 -0.09 0.35 0.82 -1.64 0.00 0.00 178.16 177.60 3krk h ILE 92 N -0.10 1.02 0.00 1.81 2.04 -1.23 -0.42 117.51 120.61 3krk h ILE 92 Ca 0.02 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3krk h ILE 92 Cb 0.13 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3krk h ILE 92 CO -0.06 0.12 -0.28 -0.07 0.00 0.00 0.00 178.15 177.87 3krk h LEU 93 N 0.67 0.00 -1.44 1.44 3.38 -1.22 -3.12 115.31 115.03 3krk h LEU 93 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3krk h LEU 93 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3krk h LEU 93 CO -0.14 0.28 -0.23 0.35 0.09 0.00 0.00 178.44 178.78 3krk n THR 94 N -3.55 0.00 -4.51 0.22 -2.24 -0.61 -1.36 114.28 102.23 3krk n THR 94 Ca -0.01 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3krk n THR 94 Cb 0.42 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 3krk n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3krk n HIS 95 N 0.63 0.78 -3.57 4.78 8.25 -0.21 -4.85 115.22 121.04 3krk n HIS 95 Ca 0.11 -1.69 -0.21 0.00 -0.26 0.00 0.00 57.72 55.67 3krk n HIS 95 Cb 0.52 -0.22 0.07 0.00 1.12 0.00 0.00 29.99 31.48 3krk n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3krk n PHE 96 N -0.85 -2.38 -0.31 4.41 3.01 -1.26 -4.86 117.46 115.22 3krk n PHE 96 Ca -0.14 0.95 0.12 0.00 1.01 0.00 0.00 57.45 59.39 3krk n PHE 96 Cb 0.43 -4.87 0.35 0.00 -0.01 0.00 0.00 39.48 35.37 3krk n PHE 96 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3krk h LYS 97 N -2.17 0.73 -0.57 -1.08 3.64 -1.93 -1.03 116.57 114.16 3krk h LYS 97 Ca -0.59 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 58.64 3krk h LYS 97 Cb 1.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3krk h LYS 97 CO 0.54 0.48 -0.06 0.78 -2.27 0.00 0.00 179.45 178.92 3krk h GLY 98 N 0.75 1.13 0.89 5.01 0.00 -2.00 -2.04 103.07 106.82 3krk h GLY 98 Ca 0.49 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3krk h GLY 98 CO -0.26 0.81 -0.06 -2.08 0.00 0.00 0.00 176.54 174.95 3krk h VAL 99 N 0.93 0.93 -0.04 4.60 2.07 -1.59 -2.85 116.25 120.31 3krk h VAL 99 Ca 0.15 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3krk h VAL 99 Cb 0.63 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3krk h VAL 99 CO 0.04 0.06 0.03 -0.50 0.02 0.00 0.00 177.57 177.22 3krk h TRP 100 N -0.29 0.00 -0.80 1.57 4.06 -1.34 -1.06 115.95 118.10 3krk h TRP 100 Ca -0.02 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3krk h TRP 100 Cb 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 3krk h TRP 100 CO -0.03 0.00 0.34 -0.91 -3.56 0.00 0.00 178.44 174.28 3krk h ASN 101 N 0.00 1.08 0.12 -3.49 2.35 -1.14 0.32 115.58 114.83 3krk h ASN 101 Ca 0.02 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3krk h ASN 101 Cb 0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3krk h ASN 101 CO -0.00 0.94 -0.06 0.40 -1.65 0.00 0.00 177.43 177.06 3krk h ILE 102 N 1.15 1.05 -0.72 2.81 2.04 -1.14 -3.13 117.51 119.58 3krk h ILE 102 Ca 0.27 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.43 3krk h ILE 102 Cb 0.18 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 3krk h ILE 102 CO -0.03 0.19 0.32 0.58 0.00 0.00 0.00 178.15 179.21 3krk h VAL 103 N -0.55 0.75 0.00 1.67 2.07 -1.05 -0.12 116.25 119.02 3krk h VAL 103 Ca -0.02 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3krk h VAL 103 Cb 0.44 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3krk h VAL 103 CO 0.03 0.09 0.00 0.78 0.02 0.00 0.00 177.57 178.49 3krk h ASN 104 N 0.51 0.00 -0.55 0.57 2.35 -0.41 -2.27 115.58 115.78 3krk h ASN 104 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3krk h ASN 104 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3krk h ASN 104 CO -0.33 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.04 3krk n ASN 105 N -2.98 3.89 -3.99 5.81 3.02 -0.07 -4.76 115.26 116.17 3krk n ASN 105 Ca -0.02 -2.22 -0.31 0.00 -0.03 0.00 0.00 54.58 52.00 3krk n ASN 105 Cb 0.13 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 3krk n ASN 105 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3krk s ILE 105 N -1.40 2.73 0.29 2.41 -1.09 -0.85 -5.01 121.20 118.27 3krk s ILE 105 Ca 0.41 -3.04 -0.01 0.00 -2.23 0.00 0.00 60.65 55.79 3krk s ILE 105 Cb 0.24 -2.89 0.36 0.00 -1.58 0.00 0.00 42.46 38.60 3krk s ILE 105 CO 0.23 -0.77 1.60 -0.65 -1.23 0.00 0.00 174.94 174.12 3krk h PRO 106 N 6.85 0.06 -0.49 2.79 0.11 -1.86 0.12 132.00 139.58 3krk h PRO 106 Ca -0.06 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 3krk h PRO 106 Cb 0.93 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3krk h PRO 106 CO 0.66 0.04 0.29 0.35 -0.21 0.00 0.00 178.00 179.13 3krk h PHE 107 N 0.06 0.54 -0.18 0.65 3.57 -1.95 -1.71 116.94 117.93 3krk h PHE 107 Ca 0.54 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.93 3krk h PHE 107 Cb 1.06 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3krk h PHE 107 CO -0.45 0.30 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.47 3krk h LEU 108 N 0.57 0.65 -0.58 0.59 3.38 -1.14 -2.10 115.31 116.69 3krk h LEU 108 Ca 0.20 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.69 3krk h LEU 108 Cb 0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3krk h LEU 108 CO -0.10 1.09 0.24 -0.09 0.09 0.00 0.00 178.44 179.68 3krk h ARG 109 N 0.24 0.43 -0.85 1.13 2.43 -1.11 -1.37 114.38 115.28 3krk h ARG 109 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3krk h ARG 109 Cb 1.00 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3krk h ARG 109 CO 0.09 0.28 0.53 0.77 -1.51 0.00 0.00 179.97 180.13 3krk h SER 110 N 0.44 1.01 -0.52 -3.80 0.02 -1.25 -0.89 113.55 108.56 3krk h SER 110 Ca 0.28 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3krk h SER 110 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3krk h SER 110 CO -0.26 0.76 -0.03 0.25 -1.14 0.00 0.00 176.83 176.42 3krk h LEU 111 N 1.16 0.92 0.02 5.07 6.46 -0.68 -0.47 115.31 127.80 3krk h LEU 111 Ca 0.31 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3krk h LEU 111 Cb -0.07 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.61 3krk h LEU 111 CO -0.06 1.02 -0.01 0.40 -0.62 0.00 0.00 178.44 179.17 3krk h ILE 112 N 0.80 1.31 -0.92 4.05 1.08 -1.14 -2.91 117.51 119.79 3krk h ILE 112 Ca 0.14 -1.07 0.04 0.00 -0.39 0.00 0.00 64.86 63.58 3krk h ILE 112 Cb 0.57 2.03 -0.05 0.00 -3.07 0.00 0.00 36.82 36.29 3krk h ILE 112 CO 0.03 0.27 0.60 -0.03 -0.69 0.00 0.00 178.15 178.33 3krk h MET 113 N -0.50 1.11 -0.98 2.37 4.05 -1.16 -1.26 114.93 118.57 3krk h MET 113 Ca -0.00 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3krk h MET 113 Cb 0.47 -0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 3krk h MET 113 CO 0.01 0.73 0.64 -0.22 0.23 0.00 0.00 176.91 178.30 3krk h LYS 114 N 1.14 1.23 0.01 0.39 3.64 -1.10 -2.22 116.57 119.65 3krk h LYS 114 Ca 0.37 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 3krk h LYS 114 Cb 0.03 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3krk h LYS 114 CO -0.11 0.81 -0.87 -0.92 -2.27 0.00 0.00 179.45 176.09 3krk h TYR 115 N 1.26 0.15 -0.91 1.91 3.20 -1.14 -2.74 116.97 118.72 3krk h TYR 115 Ca 0.38 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3krk h TYR 115 Cb -0.04 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3krk h TYR 115 CO -0.00 0.92 0.50 0.28 -1.64 0.00 0.00 178.16 178.21 3krk h VAL 116 N 0.05 1.26 -0.10 1.81 2.07 -0.96 -2.53 116.25 117.86 3krk h VAL 116 Ca -0.03 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3krk h VAL 116 Cb 1.51 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3krk h VAL 116 CO 0.12 0.29 -0.30 -0.07 0.02 0.00 0.00 177.57 177.63 3krk h LEU 117 N 1.27 0.45 -0.00 2.57 3.38 -1.38 -3.27 115.31 118.33 3krk h LEU 117 Ca 0.32 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3krk h LEU 117 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3krk h LEU 117 CO -0.05 0.97 -0.00 0.71 0.09 0.00 0.00 178.44 180.15 3krk h THR 118 N -0.05 1.53 0.00 0.22 1.35 -1.49 -2.41 112.91 112.06 3krk h THR 118 Ca -0.01 -1.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3krk h THR 118 Cb 0.92 2.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.92 3krk h THR 118 CO 0.07 0.40 -0.11 0.77 -0.25 0.00 0.00 175.52 176.40 3krk h SER 119 N -0.66 0.00 0.20 5.36 4.64 -1.63 -2.74 113.55 118.72 3krk h SER 119 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3krk h SER 119 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3krk h SER 119 CO 0.00 0.11 -1.56 0.03 -0.87 0.00 0.00 176.83 174.54 3krk h ARG 120 N 0.00 0.42 -0.15 4.77 3.08 -1.62 -3.38 114.38 117.49 3krk h ARG 120 Ca -0.00 -0.72 -0.07 0.00 0.07 0.00 0.00 59.98 59.26 3krk h ARG 120 Cb 0.22 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3krk h ARG 120 CO 0.01 1.34 -0.21 0.77 -1.07 0.00 0.00 179.97 180.82 3krk h SER 121 N 0.03 0.25 0.40 7.04 0.02 -1.15 -2.82 113.55 117.32 3krk h SER 121 Ca -0.30 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3krk h SER 121 Cb 2.05 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.52 3krk h SER 121 CO 0.19 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3krk n TYR 122 N -4.20 0.43 0.73 3.45 4.11 -1.06 -1.61 117.16 119.00 3krk n TYR 122 Ca -0.01 0.19 0.12 0.00 -0.00 0.00 0.00 57.90 58.19 3krk n TYR 122 Cb 0.33 -0.80 0.48 0.00 -0.00 0.00 0.00 39.34 39.35 3krk n TYR 122 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3krk n LEU 123 N -1.90 0.20 -4.66 -3.48 4.77 -1.06 -4.78 117.00 106.08 3krk n LEU 123 Ca 0.01 0.53 -0.35 0.00 -0.03 0.00 0.00 56.01 56.18 3krk n LEU 123 Cb 0.13 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 3krk n LEU 123 CO 0.13 -0.16 -0.25 -0.63 -1.33 0.00 0.00 177.39 175.15 3krk s ILE 124 N -3.05 4.83 -0.06 -0.08 -1.09 -0.64 -5.04 121.20 116.07 3krk s ILE 124 Ca 0.10 -0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 3krk s ILE 124 Cb 0.14 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 3krk s ILE 124 CO 0.45 0.49 1.53 -1.81 -1.23 0.00 0.00 174.94 174.37 3krk s ASP 125 N 0.15 6.75 -0.26 3.58 1.01 -1.26 -4.99 116.67 121.64 3krk s ASP 125 Ca 0.05 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.40 3krk s ASP 125 Cb -0.12 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.42 3krk s ASP 125 CO 0.00 -0.86 0.46 -0.55 0.21 0.00 0.00 175.17 174.44 3krk s SER 126 N 2.77 -0.39 0.49 0.27 0.15 -1.26 -3.63 113.70 112.10 3krk s SER 126 Ca 0.68 0.52 -0.22 0.00 0.70 0.00 0.00 55.95 57.63 3krk s SER 126 Cb -0.31 1.52 -0.09 0.00 -1.71 0.00 0.00 66.02 65.44 3krk s SER 126 CO 0.26 -0.28 0.93 -2.65 1.20 0.00 0.00 173.24 172.70 3krk n PRO 127 N 5.39 1.11 -1.45 5.44 -0.02 -1.26 -4.93 135.00 139.28 3krk n PRO 127 Ca -0.03 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 3krk n PRO 127 Cb 0.50 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.02 3krk n PRO 127 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3krk s PRO 128 N -2.24 2.42 0.00 0.52 0.04 -1.24 -5.06 135.00 129.44 3krk s PRO 128 Ca 0.68 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3krk s PRO 128 Cb -0.50 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3krk s PRO 128 CO 0.54 -1.54 0.00 0.25 0.04 0.00 0.00 177.00 176.29 3krk n THR 129 N -3.06 0.00 -1.90 1.26 -2.24 -1.26 -4.70 114.28 102.38 3krk n THR 129 Ca 0.10 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 3krk n THR 129 Cb 0.52 -0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.63 3krk n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3krk s TYR 130 N 0.25 3.38 0.13 4.78 2.02 -1.25 -4.40 117.35 122.25 3krk s TYR 130 Ca 0.00 1.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.79 3krk s TYR 130 Cb 0.00 -2.99 -0.00 0.00 -0.40 0.00 0.00 41.96 38.57 3krk s TYR 130 CO 0.00 -1.07 0.14 0.27 -1.57 0.00 0.00 175.55 173.32 3krk n ASN 131 N -2.94 -0.37 0.20 2.29 0.23 -1.00 -0.52 115.26 113.15 3krk n ASN 131 Ca 0.07 -1.76 0.11 0.00 -0.53 0.00 0.00 54.58 52.47 3krk n ASN 131 Cb 0.57 0.76 0.66 0.00 -2.08 0.00 0.00 39.78 39.68 3krk n ASN 131 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3krk h VAL 132 N 1.39 0.92 -0.01 3.53 3.04 -1.88 -1.91 116.25 121.32 3krk h VAL 132 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3krk h VAL 132 Cb 0.44 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 3krk h VAL 132 CO 0.13 0.00 -0.52 1.41 -1.01 0.00 0.00 177.57 177.58 3krk n HIS 133 N -4.48 0.00 -3.64 3.17 8.25 -1.26 -4.86 115.22 112.40 3krk n HIS 133 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 3krk n HIS 133 Cb 0.21 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 31.11 3krk n HIS 133 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3krk s TYR 134 N -2.64 0.90 -2.28 4.41 1.51 -0.72 -4.96 117.35 113.57 3krk s TYR 134 Ca 0.17 -1.12 0.29 0.00 -1.01 0.00 0.00 57.07 55.40 3krk s TYR 134 Cb 0.18 -1.18 1.38 0.00 -0.11 0.00 0.00 41.96 42.22 3krk s TYR 134 CO 0.63 -0.78 1.93 0.41 -1.11 0.00 0.00 175.55 176.62 3krk n GLY 135 N 5.08 -0.41 3.36 0.71 0.00 -1.26 -2.38 105.19 110.30 3krk n GLY 135 Ca -0.05 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 3krk n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3krk s TYR 136 N -1.99 1.78 0.30 1.61 -0.85 -1.26 -4.88 117.35 112.05 3krk s TYR 136 Ca 0.41 -0.57 -0.29 0.00 -0.52 0.00 0.00 57.07 56.11 3krk s TYR 136 Cb 0.21 -0.84 -0.10 0.00 0.38 0.00 0.00 41.96 41.62 3krk s TYR 136 CO 0.34 0.38 1.13 0.15 -1.52 0.00 0.00 175.55 176.03 3krk s LYS 137 N -3.64 4.53 0.11 -3.49 1.02 -1.26 -4.82 119.74 112.18 3krk s LYS 137 Ca 0.24 1.85 -0.24 0.00 0.02 0.00 0.00 55.97 57.84 3krk s LYS 137 Cb -0.01 -3.10 0.07 0.00 -0.52 0.00 0.00 37.83 34.27 3krk s LYS 137 CO 0.08 0.09 0.59 -1.54 -0.92 0.00 0.00 175.35 173.65 3krk s SER 138 N -0.88 -0.55 0.30 2.83 1.04 -1.26 -5.05 113.70 110.14 3krk s SER 138 Ca 0.47 0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.04 3krk s SER 138 Cb -0.32 0.57 0.49 0.00 0.10 0.00 0.00 66.02 66.85 3krk s SER 138 CO 0.42 -0.88 1.76 -0.25 0.98 0.00 0.00 173.24 175.27 3krk h TRP 139 N 2.26 0.48 -0.01 5.02 2.91 -1.98 -1.57 115.95 123.05 3krk h TRP 139 Ca -0.33 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3krk h TRP 139 Cb 1.27 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3krk h TRP 139 CO 0.27 0.62 0.01 1.49 -1.03 0.00 0.00 178.44 179.80 3krk h GLU 140 N 0.39 0.01 -0.09 2.65 4.57 -1.97 0.11 114.58 120.25 3krk h GLU 140 Ca 0.06 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3krk h GLU 140 Cb 0.60 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3krk h GLU 140 CO 0.04 0.03 -0.11 0.00 -1.18 0.00 0.00 179.01 177.79 3krk h ALA 141 N 0.99 -0.05 0.06 2.92 0.00 -1.84 -1.92 119.26 119.43 3krk h ALA 141 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3krk h ALA 141 Cb 0.01 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3krk h ALA 141 CO -0.00 -0.57 -0.04 0.35 0.00 0.00 0.00 179.25 178.99 3krk h PHE 142 N -0.14 -0.11 0.00 0.00 3.57 -1.11 -3.33 116.94 115.81 3krk h PHE 142 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3krk h PHE 142 Cb 0.24 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3krk h PHE 142 CO -0.21 -0.07 -0.66 0.66 -2.23 0.00 0.00 178.31 175.80 3krk h SER 143 N -0.10 0.00 -2.65 0.41 4.64 -0.73 -3.44 113.55 111.68 3krk h SER 143 Ca -0.00 -0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.62 3krk h SER 143 Cb 0.09 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.04 3krk h SER 143 CO -0.00 0.04 0.59 0.21 -0.87 0.00 0.00 176.83 176.80 3krk s ASN 144 N -5.02 6.18 0.09 4.97 3.84 -0.73 -4.89 114.94 119.37 3krk s ASN 144 Ca 0.04 -0.92 0.16 0.00 0.21 0.00 0.00 52.86 52.34 3krk s ASN 144 Cb 0.10 -2.43 0.68 0.00 -0.55 0.00 0.00 41.25 39.06 3krk s ASN 144 CO 0.74 -1.47 1.50 0.18 -2.79 0.00 0.00 177.10 175.25 3krk n LEU 145 N 7.85 0.21 0.26 3.21 4.77 -1.26 -2.90 117.00 129.14 3krk n LEU 145 Ca -0.03 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.66 3krk n LEU 145 Cb 0.46 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.54 3krk n LEU 145 CO 0.65 -0.40 0.92 0.28 -1.33 0.00 0.00 177.39 177.51 3krk h SER 146 N 0.00 0.00 -3.59 -1.43 0.02 -1.90 -3.44 113.55 103.21 3krk h SER 146 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3krk h SER 146 Cb 0.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3krk h SER 146 CO 0.00 0.03 0.16 -0.31 -1.14 0.00 0.00 176.83 175.57 3krk s TYR 147 N -3.55 3.74 0.40 3.45 2.02 -1.14 0.38 117.35 122.65 3krk s TYR 147 Ca 0.02 1.52 -0.25 0.00 -0.37 0.00 0.00 57.07 57.99 3krk s TYR 147 Cb 0.08 -2.70 -0.08 0.00 -0.40 0.00 0.00 41.96 38.85 3krk s TYR 147 CO 0.59 0.38 1.15 0.71 -1.57 0.00 0.00 175.55 176.81 3krk s TYR 148 N -1.41 3.08 0.86 2.71 2.02 -0.48 -4.71 117.35 119.41 3krk s TYR 148 Ca 0.41 1.56 -0.13 0.00 -0.37 0.00 0.00 57.07 58.55 3krk s TYR 148 Cb -0.19 -3.36 0.13 0.00 -0.40 0.00 0.00 41.96 38.14 3krk s TYR 148 CO 0.23 -1.25 1.22 -0.08 -1.57 0.00 0.00 175.55 174.10 3krk s THR 149 N -1.45 2.03 -0.08 -0.71 -1.32 -0.08 -4.49 115.64 109.54 3krk s THR 149 Ca 0.58 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 61.02 3krk s THR 149 Cb -0.29 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.73 3krk s THR 149 CO 0.37 0.00 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.57 3krk s ARG 150 N -5.66 1.32 0.44 7.08 1.81 0.32 -0.51 118.95 123.74 3krk s ARG 150 Ca 0.67 -0.23 0.23 0.00 -1.72 0.00 0.00 55.73 54.68 3krk s ARG 150 Cb -0.08 -1.28 1.00 0.00 -0.45 0.00 0.00 34.95 34.14 3krk s ARG 150 CO 0.50 -0.13 1.87 0.00 -0.68 0.00 0.00 175.30 176.86 3krk h ALA 151 N 7.57 1.11 -3.73 2.13 0.00 -1.97 -3.34 119.26 121.04 3krk h ALA 151 Ca -0.31 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 3krk h ALA 151 Cb 1.15 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 3krk h ALA 151 CO 0.43 0.30 -0.75 -1.17 0.00 0.00 0.00 179.25 178.06 3krk s LEU 152 N -7.09 1.71 0.58 0.00 2.96 -1.26 -5.03 118.68 110.55 3krk s LEU 152 Ca -0.01 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 3krk s LEU 152 Cb 0.12 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.52 3krk s LEU 152 CO 0.64 0.00 1.19 -2.16 -1.32 0.00 0.00 176.35 174.70 3krk s PRO 153 N 0.31 3.07 0.71 0.98 0.04 -1.26 -4.92 135.00 133.92 3krk s PRO 153 Ca -0.03 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 3krk s PRO 153 Cb -0.06 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.55 3krk s PRO 153 CO -0.01 -1.12 1.22 -1.25 0.04 0.00 0.00 177.00 175.89 3krk s PRO 154 N -3.30 2.27 0.23 0.56 0.04 -1.26 -4.64 135.00 128.89 3krk s PRO 154 Ca 0.76 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 3krk s PRO 154 Cb -0.29 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3krk s PRO 154 CO 0.32 -1.75 1.45 0.08 0.04 0.00 0.00 177.00 177.14 3krk s VAL 155 N -1.89 2.69 0.65 -0.36 1.01 -0.42 -4.86 120.40 117.23 3krk s VAL 155 Ca 0.75 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 3krk s VAL 155 Cb -0.30 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3krk s VAL 155 CO 0.43 0.08 1.16 0.00 0.00 0.00 0.00 175.10 176.77 3krk n ALA 156 N 2.65 0.70 0.26 5.51 0.00 -1.26 -4.90 120.51 123.47 3krk n ALA 156 Ca 0.08 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3krk n ALA 156 Cb 0.40 -2.24 0.69 0.00 0.00 0.00 0.00 19.45 18.30 3krk n ALA 156 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3krk h ASP 157 N 0.41 0.00 -0.55 0.00 3.32 -2.01 -2.92 116.42 114.67 3krk h ASP 157 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3krk h ASP 157 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3krk h ASP 157 CO 0.52 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 3krk n ASP 158 N -4.25 3.57 -4.77 6.45 5.75 -1.26 -4.99 116.55 117.05 3krk n ASP 158 Ca -0.03 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.38 3krk n ASP 158 Cb 0.13 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 39.88 3krk n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3krk h PRO 160 N 2.27 0.00 -5.38 0.00 0.13 -1.92 -3.44 132.00 123.66 3krk h PRO 160 Ca -0.51 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.22 3krk h PRO 160 Cb 1.27 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 3krk h PRO 160 CO 0.61 0.15 -0.74 0.95 -0.23 0.00 0.00 178.00 178.74 3krk s THR 161 N -3.74 1.43 0.37 1.56 -4.23 -0.79 -4.74 115.64 105.50 3krk s THR 161 Ca 0.00 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 3krk s THR 161 Cb 0.10 -1.81 0.29 0.00 1.34 0.00 0.00 72.50 72.43 3krk s THR 161 CO 0.60 -0.57 1.97 -0.65 -0.54 0.00 0.00 174.62 175.43 3krk h PRO 162 N 2.97 0.71 -0.00 3.99 0.11 -1.77 -1.47 132.00 136.54 3krk h PRO 162 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3krk h PRO 162 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3krk h PRO 162 CO 0.58 0.47 -0.21 -1.33 -0.21 0.00 0.00 178.00 177.30 3krk n MET 163 N -4.47 0.46 0.00 1.05 2.81 -1.26 -4.88 117.12 110.83 3krk n MET 163 Ca 0.10 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 3krk n MET 163 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3krk n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3krk n GLY 164 N 1.37 1.12 0.01 3.03 0.00 -0.55 -4.71 105.19 105.46 3krk n GLY 164 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3krk n GLY 164 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3krk n VAL 165 N 0.00 0.17 -2.45 1.61 0.24 -1.26 -1.89 118.33 114.76 3krk n VAL 165 Ca 0.00 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.80 3krk n VAL 165 Cb 0.00 -0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 3krk n VAL 165 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3krk s LYS 166 N -2.29 3.82 1.68 7.34 1.02 -1.26 -4.71 119.74 125.33 3krk s LYS 166 Ca -0.02 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.70 3krk s LYS 166 Cb 0.03 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3krk s LYS 166 CO 0.24 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 3krk n GLY 167 N -1.74 -1.48 3.90 -3.33 0.00 -1.26 -4.55 105.19 96.73 3krk n GLY 167 Ca 0.05 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 3krk n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3krk s ASN 168 N -4.00 5.27 0.39 1.61 0.01 -1.26 -4.96 114.94 112.00 3krk s ASN 168 Ca 0.00 0.87 0.08 0.00 -0.71 0.00 0.00 52.86 53.10 3krk s ASN 168 Cb 0.00 -1.66 0.85 0.00 0.41 0.00 0.00 41.25 40.85 3krk s ASN 168 CO 0.00 -1.37 1.99 0.50 -1.51 0.00 0.00 177.10 176.71 3krk h LYS 169 N -0.56 0.59 -5.54 -0.60 1.63 -1.93 -3.39 116.57 106.76 3krk h LYS 169 Ca -0.45 -0.04 -0.49 0.00 -0.85 0.00 0.00 60.65 58.82 3krk h LYS 169 Cb 1.27 -0.13 -0.26 0.00 -0.60 0.00 0.00 32.23 32.51 3krk h LYS 169 CO 0.63 0.39 -0.81 -1.21 -3.45 0.00 0.00 179.45 175.00 3krk s GLU 170 N -5.55 1.12 0.78 1.90 8.01 -1.26 -4.40 118.70 119.30 3krk s GLU 170 Ca -0.09 -0.76 -0.10 0.00 0.01 0.00 0.00 54.97 54.03 3krk s GLU 170 Cb 0.19 -1.15 0.06 0.00 -4.31 0.00 0.00 34.13 28.92 3krk s GLU 170 CO 0.75 0.29 1.09 -0.51 0.01 0.00 0.00 175.26 176.90 3krk s LEU 171 N -0.97 3.02 0.53 1.80 1.43 -1.26 -4.99 118.68 118.24 3krk s LEU 171 Ca 0.04 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.75 3krk s LEU 171 Cb -0.08 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 3krk s LEU 171 CO 0.01 -2.07 1.34 -2.16 0.23 0.00 0.00 176.35 173.70 3krk s PRO 172 N -4.90 3.23 -0.01 1.29 0.04 -1.26 -4.89 135.00 128.49 3krk s PRO 172 Ca 0.61 2.20 -0.38 0.00 0.04 0.00 0.00 61.00 63.47 3krk s PRO 172 Cb -0.17 -2.29 -0.17 0.00 0.04 0.00 0.00 34.50 31.90 3krk s PRO 172 CO 0.56 -1.11 1.35 -3.47 0.04 0.00 0.00 177.00 174.37 3krk n ASP 173 N -0.94 1.36 0.18 6.66 -0.08 -1.26 -4.85 116.55 117.62 3krk n ASP 173 Ca 0.10 1.13 0.04 0.00 -1.51 0.00 0.00 54.79 54.54 3krk n ASP 173 Cb 0.45 -1.11 0.32 0.00 2.34 0.00 0.00 41.12 43.12 3krk n ASP 173 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3krk h SER 174 N 4.60 0.00 -0.63 1.67 4.64 -1.97 -2.10 113.55 119.76 3krk h SER 174 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3krk h SER 174 Cb 1.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3krk h SER 174 CO 0.78 0.43 0.21 0.50 -0.87 0.00 0.00 176.83 177.88 3krk h LYS 175 N 0.00 0.99 -0.36 4.77 3.64 -1.96 0.04 116.57 123.70 3krk h LYS 175 Ca -0.00 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 3krk h LYS 175 Cb 0.88 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3krk h LYS 175 CO 0.06 0.84 -0.17 0.93 -2.27 0.00 0.00 179.45 178.84 3krk h GLU 176 N 0.96 0.76 -0.09 1.90 4.39 -1.77 -0.99 114.58 119.75 3krk h GLU 176 Ca 0.22 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3krk h GLU 176 Cb 0.26 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3krk h GLU 176 CO -0.01 0.95 0.05 0.28 -1.16 0.00 0.00 179.01 179.12 3krk h VAL 177 N 0.55 1.08 -0.34 3.13 2.07 -1.28 -1.75 116.25 119.70 3krk h VAL 177 Ca 0.08 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3krk h VAL 177 Cb 0.72 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3krk h VAL 177 CO 0.05 0.07 0.16 0.25 0.02 0.00 0.00 177.57 178.12 3krk h LEU 178 N 0.06 0.22 -0.29 2.57 5.85 -0.95 -2.60 115.31 120.17 3krk h LEU 178 Ca 0.03 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 3krk h LEU 178 Cb 0.07 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3krk h LEU 178 CO -0.01 0.16 -0.57 -0.33 -0.34 0.00 0.00 178.44 177.36 3krk h GLU 179 N 0.33 0.88 -0.01 1.25 5.08 -1.08 -1.06 114.58 119.98 3krk h GLU 179 Ca 0.15 -0.57 -0.22 0.00 -1.00 0.00 0.00 59.36 57.72 3krk h GLU 179 Cb 0.08 0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3krk h GLU 179 CO -0.12 1.20 -0.84 0.87 -1.00 0.00 0.00 179.01 179.12 3krk h LYS 180 N 0.67 0.58 0.00 2.33 1.57 -1.29 -3.40 116.57 117.03 3krk h LYS 180 Ca 0.01 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 3krk h LYS 180 Cb 1.18 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3krk h LYS 180 CO 0.13 1.23 0.00 1.33 -0.57 0.00 0.00 179.45 181.57 3krk n VAL 181 N -4.02 0.00 -0.04 0.50 0.24 -0.99 -4.86 118.33 109.17 3krk n VAL 181 Ca -0.11 -0.39 -0.05 0.00 -2.04 0.00 0.00 64.34 61.75 3krk n VAL 181 Cb 0.79 1.10 -0.04 0.00 -1.47 0.00 0.00 33.84 34.21 3krk n VAL 181 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3krk n LEU 182 N -0.44 2.71 -4.76 1.34 4.32 -0.85 -0.97 117.00 118.36 3krk n LEU 182 Ca 0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.54 3krk n LEU 182 Cb 0.02 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 3krk n LEU 182 CO 0.00 0.59 0.97 -0.76 -1.22 0.00 0.00 177.39 176.97 3krk s LEU 183 N -5.38 4.44 0.10 2.23 1.43 -0.46 -1.21 118.68 119.82 3krk s LEU 183 Ca -0.10 2.56 -0.31 0.00 -1.03 0.00 0.00 54.13 55.24 3krk s LEU 183 Cb 0.03 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 3krk s LEU 183 CO 0.20 -0.50 1.50 -0.60 0.23 0.00 0.00 176.35 177.17 3krk s ARG 184 N -1.14 4.26 0.00 1.70 3.52 0.43 -4.09 118.95 123.64 3krk s ARG 184 Ca 0.52 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 3krk s ARG 184 Cb -0.38 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3krk s ARG 184 CO 0.46 -0.57 0.00 0.54 -0.81 0.00 0.00 175.30 174.92 3krk n ARG 185 N 4.59 0.00 -3.25 5.12 5.12 -1.25 -4.82 116.66 122.18 3krk n ARG 185 Ca 0.13 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.69 3krk n ARG 185 Cb 0.41 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.65 3krk n ARG 185 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3krk s GLU 186 N 0.44 4.12 0.08 5.56 -1.05 -1.26 -5.03 118.70 121.56 3krk s GLU 186 Ca 0.00 0.68 -0.34 0.00 -0.15 0.00 0.00 54.97 55.16 3krk s GLU 186 Cb 0.00 -2.98 -0.14 0.00 -0.44 0.00 0.00 34.13 30.58 3krk s GLU 186 CO 0.00 0.48 1.65 0.34 0.95 0.00 0.00 175.26 178.68 3krk n PHE 187 N 0.96 2.23 -3.69 4.83 7.35 -1.26 -4.96 117.46 122.92 3krk n PHE 187 Ca -0.05 0.23 -0.39 0.00 -0.76 0.00 0.00 57.45 56.48 3krk n PHE 187 Cb 0.51 -2.56 -0.12 0.00 0.35 0.00 0.00 39.48 37.66 3krk n PHE 187 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3krk s ILE 188 N 1.81 4.24 0.64 -2.13 1.01 -1.26 -5.10 121.20 120.41 3krk s ILE 188 Ca 0.83 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 3krk s ILE 188 Cb -0.71 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3krk s ILE 188 CO 0.43 -0.08 1.08 -2.16 0.00 0.00 0.00 174.94 174.21 3krk s PRO 189 N 1.52 3.00 -0.10 2.79 0.04 -1.26 -1.83 135.00 139.16 3krk s PRO 189 Ca 0.02 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 3krk s PRO 189 Cb -0.18 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3krk s PRO 189 CO 0.05 -1.07 1.26 0.34 0.04 0.00 0.00 177.00 177.62 3krk s ASP 190 N -2.92 6.97 0.49 6.66 2.15 0.26 -4.10 116.67 126.19 3krk s ASP 190 Ca 0.64 1.80 0.16 0.00 0.43 0.00 0.00 52.55 55.58 3krk s ASP 190 Cb -0.17 -2.55 1.16 0.00 -0.30 0.00 0.00 42.92 41.06 3krk s ASP 190 CO 0.43 -0.69 2.08 1.55 -0.17 0.00 0.00 175.17 178.37 3krk h PRO 191 N 7.89 0.00 0.00 4.34 0.13 -1.87 -2.21 132.00 140.29 3krk h PRO 191 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3krk h PRO 191 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3krk h PRO 191 CO 0.92 0.08 0.00 1.04 -0.23 0.00 0.00 178.00 179.82 3krk n GLN 192 N -4.43 0.16 -0.85 0.86 6.02 -1.25 -4.92 117.38 112.97 3krk n GLN 192 Ca -0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3krk n GLN 192 Cb 0.16 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.68 3krk n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3krk n GLY 193 N 0.75 0.80 3.76 1.08 0.00 -0.83 -4.88 105.19 105.87 3krk n GLY 193 Ca 0.04 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3krk n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krk s SER 194 N -2.59 6.38 0.25 1.61 0.01 -1.26 -0.13 113.70 117.97 3krk s SER 194 Ca 0.00 2.98 0.03 0.00 1.31 0.00 0.00 55.95 60.26 3krk s SER 194 Cb 0.00 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.61 3krk s SER 194 CO 0.00 -0.88 0.24 -0.46 0.41 0.00 0.00 173.24 172.55 3krk n ASN 195 N 1.43 1.53 0.22 2.44 0.23 -0.76 0.24 115.26 120.58 3krk n ASN 195 Ca 0.05 -1.81 0.10 0.00 -0.53 0.00 0.00 54.58 52.40 3krk n ASN 195 Cb 0.38 -0.07 0.40 0.00 -2.08 0.00 0.00 39.78 38.41 3krk n ASN 195 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3krk h MET 196 N 0.00 0.00 -0.77 -3.83 2.86 -0.03 -2.23 114.93 110.93 3krk h MET 196 Ca -0.15 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3krk h MET 196 Cb 0.57 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3krk h MET 196 CO 0.22 0.19 0.30 0.52 1.06 0.00 0.00 176.91 179.21 3krk h MET 197 N 0.00 1.16 -0.28 1.72 2.86 -1.82 -2.13 114.93 116.43 3krk h MET 197 Ca -0.00 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.31 3krk h MET 197 Cb 0.83 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3krk h MET 197 CO 0.02 0.94 -0.27 0.35 1.06 0.00 0.00 176.91 179.02 3krk h PHE 198 N 1.12 0.82 -0.35 -0.22 3.57 -1.73 -1.79 116.94 118.36 3krk h PHE 198 Ca 0.26 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3krk h PHE 198 Cb 0.22 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3krk h PHE 198 CO 0.02 0.98 0.15 0.00 -2.23 0.00 0.00 178.31 177.24 3krk h ALA 199 N 0.71 0.46 -0.09 2.41 0.00 -1.32 -0.55 119.26 120.86 3krk h ALA 199 Ca 0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3krk h ALA 199 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3krk h ALA 199 CO 0.07 0.04 -0.65 0.74 0.00 0.00 0.00 179.25 179.45 3krk h PHE 200 N 0.43 0.48 -0.47 0.00 0.04 -1.47 -2.09 116.94 113.86 3krk h PHE 200 Ca 0.12 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3krk h PHE 200 Cb 0.15 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3krk h PHE 200 CO -0.01 0.91 0.28 0.35 -0.60 0.00 0.00 178.31 179.24 3krk h PHE 201 N 0.26 0.63 -0.45 -0.55 3.57 -1.16 0.24 116.94 119.48 3krk h PHE 201 Ca -0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3krk h PHE 201 Cb 1.19 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 3krk h PHE 201 CO 0.03 0.45 0.14 0.00 -2.23 0.00 0.00 178.31 176.70 3krk h ALA 202 N 1.13 0.53 -0.15 2.41 0.00 -0.96 0.21 119.26 122.42 3krk h ALA 202 Ca 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3krk h ALA 202 Cb 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3krk h ALA 202 CO -0.03 -0.26 -0.03 0.37 0.00 0.00 0.00 179.25 179.31 3krk h GLN 203 N 0.30 0.28 0.06 0.00 4.15 -1.00 -2.22 115.11 116.68 3krk h GLN 203 Ca 0.21 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3krk h GLN 203 Cb 0.23 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3krk h GLN 203 CO -0.24 0.55 -0.03 1.25 -1.93 0.00 0.00 178.83 178.43 3krk h HIS 204 N -0.01 -0.07 0.12 3.99 2.76 -0.36 -2.84 115.15 118.74 3krk h HIS 204 Ca 0.04 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3krk h HIS 204 Cb 0.44 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3krk h HIS 204 CO 0.05 0.06 -0.06 0.35 -1.30 0.00 0.00 177.93 177.03 3krk h PHE 205 N -0.19 -0.15 0.00 5.26 3.57 -0.61 -3.19 116.94 121.63 3krk h PHE 205 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3krk h PHE 205 Cb 0.16 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3krk h PHE 205 CO -0.04 -0.02 -0.19 1.79 -2.23 0.00 0.00 178.31 177.62 3krk h THR 206 N -0.25 0.46 0.00 4.41 1.35 -1.47 -3.08 112.91 114.33 3krk h THR 206 Ca -0.02 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3krk h THR 206 Cb 0.20 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3krk h THR 206 CO 0.03 0.19 0.00 1.41 -0.25 0.00 0.00 175.52 176.90 3krk n HIS 207 N -3.32 0.00 0.07 4.73 8.25 -1.07 -0.60 115.22 123.27 3krk n HIS 207 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3krk n HIS 207 Cb 0.43 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 3krk n HIS 207 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3krk h GLN 208 N 0.00 0.00 0.00 -0.41 3.07 -1.67 -3.40 115.11 112.70 3krk h GLN 208 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3krk h GLN 208 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3krk h GLN 208 CO 0.00 0.87 -0.46 1.97 0.09 0.00 0.00 178.83 181.31 3krk n PHE 209 N -3.30 0.00 -3.41 0.06 1.16 -0.61 -4.77 117.46 106.60 3krk n PHE 209 Ca -0.01 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.12 3krk n PHE 209 Cb 0.91 -0.03 -0.04 0.00 -1.61 0.00 0.00 39.48 38.72 3krk n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3krk s PHE 210 N -1.66 3.59 -0.48 2.97 0.08 0.23 -4.79 117.98 117.93 3krk s PHE 210 Ca 0.01 -1.97 0.06 0.00 0.12 0.00 0.00 56.93 55.15 3krk s PHE 210 Cb 0.03 -3.69 0.22 0.00 -0.57 0.00 0.00 43.02 39.01 3krk s PHE 210 CO 0.20 -0.97 0.51 1.63 -0.10 0.00 0.00 175.22 176.49 3krk n LYS 211 N 4.20 1.04 -1.85 0.44 5.02 -1.26 -4.59 118.16 121.16 3krk n LYS 211 Ca 0.06 -3.62 -0.41 0.00 -2.02 0.00 0.00 58.31 52.31 3krk n LYS 211 Cb 0.44 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3krk n LYS 211 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3krk s THR 212 N -1.12 2.23 -0.98 -0.18 2.01 -1.26 0.23 115.64 116.56 3krk s THR 212 Ca 0.34 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 3krk s THR 212 Cb 0.11 -3.13 0.17 0.00 0.01 0.00 0.00 72.50 69.66 3krk s THR 212 CO -0.12 0.03 1.11 -0.62 -0.69 0.00 0.00 174.62 174.33 3krk s ASP 213 N 0.36 6.82 0.44 3.53 -1.08 -0.23 -4.74 116.67 121.77 3krk s ASP 213 Ca 0.61 -2.54 0.10 0.00 -0.52 0.00 0.00 52.55 50.20 3krk s ASP 213 Cb -0.46 -2.34 0.97 0.00 -1.46 0.00 0.00 42.92 39.63 3krk s ASP 213 CO 0.49 -0.81 2.06 0.45 0.52 0.00 0.00 175.17 177.87 3krk h HIS 214 N 8.03 0.31 0.00 -5.34 3.86 -1.87 -0.49 115.15 119.66 3krk h HIS 214 Ca 0.18 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3krk h HIS 214 Cb 0.98 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 3krk h HIS 214 CO 1.09 0.24 -0.07 1.57 0.86 0.00 0.00 177.93 181.62 3krk h LYS 215 N 0.33 0.00 0.00 2.45 2.10 -1.99 -3.21 116.57 116.25 3krk h LYS 215 Ca 0.08 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.34 3krk h LYS 215 Cb 0.04 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.30 3krk h LYS 215 CO -0.01 0.07 -2.48 0.54 -2.00 0.00 0.00 179.45 175.57 3krk n ARG 216 N -3.55 0.65 0.00 0.07 1.74 -0.38 -5.13 116.66 110.07 3krk n ARG 216 Ca -0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3krk n ARG 216 Cb 0.19 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3krk n ARG 216 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krk n GLY 217 N 2.20 2.80 0.22 -0.13 0.00 -0.33 -4.95 105.19 105.00 3krk n GLY 217 Ca -0.46 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 43.99 3krk n GLY 217 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krk h PRO 218 N 0.00 0.00 -0.09 1.61 0.13 -1.89 -2.64 132.00 129.11 3krk h PRO 218 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3krk h PRO 218 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3krk h PRO 218 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3krk n GLY 219 N 0.08 -0.35 3.45 1.56 0.00 -1.26 -4.89 105.19 103.77 3krk n GLY 219 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3krk n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krk s PHE 220 N -1.88 2.51 0.25 1.61 0.08 -1.00 -1.38 117.98 118.17 3krk s PHE 220 Ca 0.27 -0.28 0.10 0.00 0.12 0.00 0.00 56.93 57.14 3krk s PHE 220 Cb 0.14 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 3krk s PHE 220 CO 0.22 0.27 -0.18 -0.08 -0.10 0.00 0.00 175.22 175.35 3krk s THR 221 N -0.96 2.17 -0.88 0.64 -1.32 0.16 -1.06 115.64 114.39 3krk s THR 221 Ca 0.15 -2.32 0.13 0.00 -1.21 0.00 0.00 61.69 58.44 3krk s THR 221 Cb -0.10 -2.19 -0.09 0.00 -1.51 0.00 0.00 72.50 68.61 3krk s THR 221 CO 0.06 -0.48 0.65 0.54 -2.21 0.00 0.00 174.62 173.18 3krk n ARG 222 N -0.51 2.32 -2.74 7.08 1.74 0.14 -4.66 116.66 120.03 3krk n ARG 222 Ca -0.06 -0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.30 3krk n ARG 222 Cb 0.60 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3krk n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krk n GLY 223 N 1.22 3.29 0.02 -0.13 0.00 -1.26 -4.82 105.19 103.51 3krk n GLY 223 Ca 0.04 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.30 3krk n GLY 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krk n LEU 224 N 6.34 0.11 0.19 0.99 4.77 -1.26 -1.63 117.00 126.51 3krk n LEU 224 Ca 0.41 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 57.04 3krk n LEU 224 Cb 0.43 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.21 3krk n LEU 224 CO 0.69 -0.31 0.78 1.23 -1.33 0.00 0.00 177.39 178.46 3krk h GLY 225 N 2.39 0.00 -6.34 -0.72 0.00 -1.93 -3.49 103.07 92.98 3krk h GLY 225 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3krk h GLY 225 CO 0.00 0.00 -0.76 1.42 0.00 0.00 0.00 176.54 177.20 3krk n HIS 226 N -2.91 -2.11 -1.44 5.60 8.25 -0.65 -4.82 115.22 117.15 3krk n HIS 226 Ca 0.04 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 3krk n HIS 226 Cb 0.51 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 28.01 3krk n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krk n GLY 227 N -1.57 -0.66 3.47 -1.41 0.00 -1.26 -4.26 105.19 99.50 3krk n GLY 227 Ca 0.05 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3krk n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krk s VAL 228 N -3.55 4.93 -1.15 1.61 1.01 -1.26 -4.54 120.40 117.44 3krk s VAL 228 Ca 0.00 -2.43 0.12 0.00 0.00 0.00 0.00 61.98 59.67 3krk s VAL 228 Cb 0.00 -4.91 0.01 0.00 0.00 0.00 0.00 36.38 31.47 3krk s VAL 228 CO 0.00 -1.63 0.72 -0.90 0.00 0.00 0.00 175.10 173.29 3krk n ASP 229 N 5.96 1.41 -2.27 3.32 5.68 -1.26 -4.96 116.55 124.43 3krk n ASP 229 Ca 0.36 -1.21 -0.18 0.00 -0.50 0.00 0.00 54.79 53.26 3krk n ASP 229 Cb 0.44 0.43 0.01 0.00 -1.14 0.00 0.00 41.12 40.86 3krk n ASP 229 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3krk n LEU 230 N -0.13 -2.20 0.28 -2.12 4.32 -1.26 -4.90 117.00 110.99 3krk n LEU 230 Ca 0.05 -0.15 0.17 0.00 -0.02 0.00 0.00 56.01 56.07 3krk n LEU 230 Cb 0.26 -2.51 0.78 0.00 -1.62 0.00 0.00 43.42 40.33 3krk n LEU 230 CO 0.14 0.04 1.02 -0.55 -1.22 0.00 0.00 177.39 176.82 3krk h ASN 231 N -0.68 0.00 0.74 -1.43 7.08 -1.88 -0.73 115.58 118.68 3krk h ASN 231 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 3krk h ASN 231 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 3krk h ASN 231 CO 0.47 0.03 0.00 0.00 -2.08 0.00 0.00 177.43 175.85 3krk n HIS 232 N -3.17 0.26 -0.09 4.14 1.44 -1.26 -0.21 115.22 116.32 3krk n HIS 232 Ca -0.00 0.09 -0.17 0.00 -2.01 0.00 0.00 57.72 55.63 3krk n HIS 232 Cb 0.26 -0.65 -0.08 0.00 0.12 0.00 0.00 29.99 29.64 3krk n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3krk n ILE 233 N -1.73 1.06 0.88 0.61 5.41 -0.44 -2.36 119.36 122.79 3krk n ILE 233 Ca 0.04 -0.34 0.10 0.00 1.00 0.00 0.00 62.75 63.56 3krk n ILE 233 Cb 0.24 -1.47 -0.12 0.00 -0.71 0.00 0.00 39.64 37.58 3krk n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3krk n TYR 234 N -3.47 0.00 0.00 1.39 4.01 -0.41 -3.08 117.16 115.60 3krk n TYR 234 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 3krk n TYR 234 Cb 0.81 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 3krk n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3krk n GLY 235 N 1.47 0.68 0.18 2.72 0.00 0.70 -3.43 105.19 107.51 3krk n GLY 235 Ca 0.03 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 3krk n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3krk h GLU 236 N 0.00 0.58 -6.20 1.61 4.57 -1.77 -3.43 114.58 109.94 3krk h GLU 236 Ca 0.00 -0.40 -0.50 0.00 -1.18 0.00 0.00 59.36 57.28 3krk h GLU 236 Cb 0.00 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3krk h GLU 236 CO 0.00 1.02 -0.51 0.95 -1.18 0.00 0.00 179.01 179.29 3krk s THR 237 N -3.96 4.16 0.35 0.32 -4.23 -1.26 -5.03 115.64 105.98 3krk s THR 237 Ca -0.13 -1.41 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3krk s THR 237 Cb 0.07 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.70 3krk s THR 237 CO 0.83 -0.30 1.84 0.25 -0.54 0.00 0.00 174.62 176.69 3krk h LEU 238 N 1.44 0.28 0.09 4.79 5.85 -1.95 -2.20 115.31 123.61 3krk h LEU 238 Ca -0.47 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3krk h LEU 238 Cb 1.24 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3krk h LEU 238 CO 0.60 0.50 -0.12 0.44 -0.34 0.00 0.00 178.44 179.52 3krk h ASP 239 N 0.26 -0.33 -0.48 1.25 5.19 -1.98 -1.35 116.42 118.98 3krk h ASP 239 Ca 0.05 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3krk h ASP 239 Cb 0.51 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 3krk h ASP 239 CO 0.03 -0.18 0.29 -0.09 -3.12 0.00 0.00 179.24 176.17 3krk h ARG 240 N -0.25 0.65 -0.33 3.56 2.43 -1.86 -2.46 114.38 116.12 3krk h ARG 240 Ca 0.01 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3krk h ARG 240 Cb 0.26 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3krk h ARG 240 CO -0.06 0.48 0.10 0.37 -1.51 0.00 0.00 179.97 179.35 3krk h GLN 241 N 0.64 0.22 0.00 0.20 4.15 -1.30 -1.94 115.11 117.08 3krk h GLN 241 Ca 0.17 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3krk h GLN 241 Cb -0.01 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3krk h GLN 241 CO -0.03 0.15 -0.25 0.45 -1.93 0.00 0.00 178.83 177.21 3krk h HIS 242 N 0.23 0.00 0.00 3.99 3.86 -1.10 -1.68 115.15 120.44 3krk h HIS 242 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3krk h HIS 242 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3krk h HIS 242 CO -0.16 0.25 -0.50 0.87 0.86 0.00 0.00 177.93 179.26 3krk h LYS 243 N 0.00 0.00 0.00 2.45 1.57 -0.94 -3.16 116.57 116.49 3krk h LYS 243 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3krk h LYS 243 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3krk h LYS 243 CO 0.03 0.50 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.83 3krk h LEU 244 N 0.00 0.00 -9.98 2.94 3.38 -0.61 -3.44 115.31 107.59 3krk h LEU 244 Ca -0.00 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 57.28 3krk h LEU 244 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3krk h LEU 244 CO 0.06 0.08 -0.02 -0.13 0.09 0.00 0.00 178.44 178.53 3krk s ARG 245 N -3.16 3.91 0.21 1.13 0.52 -0.71 -0.78 118.95 120.08 3krk s ARG 245 Ca 0.07 0.47 0.21 0.00 -0.52 0.00 0.00 55.73 55.96 3krk s ARG 245 Cb 0.13 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 33.03 3krk s ARG 245 CO 0.70 0.27 1.09 1.25 0.02 0.00 0.00 175.30 178.63 3krk h LEU 246 N 2.53 0.00 0.99 2.53 5.85 -1.60 -3.40 115.31 122.20 3krk h LEU 246 Ca -0.47 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.84 3krk h LEU 246 Cb 1.17 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.05 3krk h LEU 246 CO 0.67 0.11 -0.37 0.49 -0.34 0.00 0.00 178.44 179.00 3krk n PHE 247 N -2.78 -0.02 -4.44 1.25 3.01 -1.26 -4.99 117.46 108.23 3krk n PHE 247 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 3krk n PHE 247 Cb 0.60 -3.36 -0.17 0.00 -0.01 0.00 0.00 39.48 36.55 3krk n PHE 247 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3krk s LYS 248 N -3.72 1.46 -1.52 -1.08 2.20 -1.26 -4.85 119.74 110.98 3krk s LYS 248 Ca 0.00 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3krk s LYS 248 Cb 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.05 3krk s LYS 248 CO 0.00 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.72 3krk n ASP 249 N 3.93 -5.39 0.00 1.43 8.00 -1.26 -2.01 116.55 121.25 3krk n ASP 249 Ca -0.23 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3krk n ASP 249 Cb 0.51 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 3krk n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krk n GLY 250 N -0.33 0.72 3.91 0.44 0.00 -1.23 -4.74 105.19 103.96 3krk n GLY 250 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3krk n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krk s LYS 251 N -0.04 3.21 0.08 1.61 1.02 -0.85 -3.86 119.74 120.91 3krk s LYS 251 Ca 0.00 0.09 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 3krk s LYS 251 Cb 0.00 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 3krk s LYS 251 CO 0.00 -0.48 0.45 -0.51 -0.92 0.00 0.00 175.35 173.89 3krk s LEU 252 N -4.88 4.37 0.59 3.17 1.43 -1.26 -1.73 118.68 120.37 3krk s LEU 252 Ca 0.51 0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.34 3krk s LEU 252 Cb -0.10 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 3krk s LEU 252 CO 0.45 0.18 0.98 0.29 0.23 0.00 0.00 176.35 178.48 3krk n LYS 253 N 1.06 0.94 -3.99 1.70 5.02 0.04 -4.64 118.16 118.30 3krk n LYS 253 Ca -0.08 0.36 -0.11 0.00 -2.02 0.00 0.00 58.31 56.46 3krk n LYS 253 Cb 0.52 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 3krk n LYS 253 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3krk s TYR 254 N -1.50 0.51 0.13 2.13 -0.85 -1.26 -4.29 117.35 112.22 3krk s TYR 254 Ca 0.75 -0.89 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 3krk s TYR 254 Cb -0.42 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 3krk s TYR 254 CO 0.48 -1.15 -0.09 1.14 -1.52 0.00 0.00 175.55 174.41 3krk s GLN 255 N -3.42 0.96 -0.20 -3.49 -2.07 0.37 -4.63 119.66 107.17 3krk s GLN 255 Ca 0.23 -1.38 -0.04 0.00 -1.82 0.00 0.00 55.36 52.35 3krk s GLN 255 Cb -0.02 -0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 31.41 3krk s GLN 255 CO 0.13 0.04 -0.04 0.08 -1.32 0.00 0.00 175.29 174.19 3krk s VAL 256 N -3.34 3.59 -0.17 3.63 1.01 -1.26 -0.55 120.40 123.31 3krk s VAL 256 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3krk s VAL 256 Cb 0.03 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3krk s VAL 256 CO -0.01 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 3krk s ILE 257 N 1.12 1.54 -1.44 2.22 1.01 0.34 -4.75 121.20 121.24 3krk s ILE 257 Ca 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 3krk s ILE 257 Cb -0.15 -1.56 0.05 0.00 0.01 0.00 0.00 42.46 40.82 3krk s ILE 257 CO 0.00 0.29 1.00 0.61 0.00 0.00 0.00 174.94 176.84 3krk n GLY 258 N 4.75 -0.48 2.76 6.18 0.00 -1.26 -1.64 105.19 115.51 3krk n GLY 258 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3krk n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krk n GLY 259 N -1.74 0.56 3.64 -0.02 0.00 -1.26 -5.02 105.19 101.36 3krk n GLY 259 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3krk n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krk s GLU 260 N -0.38 2.63 -0.19 1.61 0.41 -0.65 -5.08 118.70 117.04 3krk s GLU 260 Ca 0.00 -0.71 -0.21 0.00 -0.41 0.00 0.00 54.97 53.64 3krk s GLU 260 Cb 0.00 -2.57 -0.02 0.00 -1.78 0.00 0.00 34.13 29.76 3krk s GLU 260 CO 0.00 0.60 0.64 0.08 -0.49 0.00 0.00 175.26 176.09 3krk s VAL 261 N -1.09 5.01 0.24 2.63 1.01 -1.26 -0.50 120.40 126.45 3krk s VAL 261 Ca 0.20 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.43 3krk s VAL 261 Cb -0.11 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3krk s VAL 261 CO 0.10 0.11 -0.02 -0.31 0.00 0.00 0.00 175.10 174.98 3krk s TYR 262 N 1.89 1.68 0.78 5.22 2.02 0.29 -4.98 117.35 124.24 3krk s TYR 262 Ca 0.29 -0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 3krk s TYR 262 Cb -0.16 -0.97 0.07 0.00 -0.40 0.00 0.00 41.96 40.50 3krk s TYR 262 CO 0.11 0.06 1.20 -2.14 -1.57 0.00 0.00 175.55 173.21 3krk s PRO 263 N -3.82 1.82 1.14 -1.71 0.02 -1.26 -0.48 135.00 130.71 3krk s PRO 263 Ca 0.28 1.74 -0.19 0.00 0.02 0.00 0.00 61.00 62.85 3krk s PRO 263 Cb 0.05 -1.80 0.27 0.00 0.02 0.00 0.00 34.50 33.04 3krk s PRO 263 CO 0.09 -2.07 1.18 -1.25 -0.33 0.00 0.00 177.00 174.63 3krk s PRO 264 N -4.09 -0.74 0.41 5.54 0.04 -1.26 -4.24 135.00 130.66 3krk s PRO 264 Ca 0.73 -0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.57 3krk s PRO 264 Cb -0.28 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3krk s PRO 264 CO 0.49 -3.36 0.61 0.95 0.04 0.00 0.00 177.00 175.72 3krk s THR 265 N -3.30 4.20 0.21 1.26 -4.23 -1.26 -0.27 115.64 112.23 3krk s THR 265 Ca 0.72 -0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 3krk s THR 265 Cb -0.07 -3.53 0.14 0.00 1.34 0.00 0.00 72.50 70.38 3krk s THR 265 CO 0.55 -0.33 1.85 0.58 -0.54 0.00 0.00 174.62 176.73 3krk h VAL 266 N 0.56 1.10 -0.72 2.29 2.07 -1.32 -1.61 116.25 118.62 3krk h VAL 266 Ca -0.47 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3krk h VAL 266 Cb 1.25 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3krk h VAL 266 CO 0.57 0.16 0.38 0.50 0.02 0.00 0.00 177.57 179.19 3krk h LYS 267 N 0.86 1.01 0.08 1.57 1.63 -1.86 0.27 116.57 120.14 3krk h LYS 267 Ca 0.28 -0.12 -0.26 0.00 -0.85 0.00 0.00 60.65 59.69 3krk h LYS 267 Cb 0.00 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3krk h LYS 267 CO -0.10 0.76 -1.14 0.22 -3.45 0.00 0.00 179.45 175.74 3krk h ASP 268 N 1.02 0.57 0.39 4.20 3.58 -1.90 -3.37 116.42 120.91 3krk h ASP 268 Ca 0.25 -0.53 -0.29 0.00 0.42 0.00 0.00 57.03 56.88 3krk h ASP 268 Cb 0.06 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 3krk h ASP 268 CO -0.04 1.37 -1.84 0.35 -2.88 0.00 0.00 179.24 176.20 3krk n THR 269 N -3.67 1.48 -1.38 2.25 -2.24 -0.63 -4.96 114.28 105.13 3krk n THR 269 Ca -0.09 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 3krk n THR 269 Cb 0.95 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 3krk n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krk n GLN 270 N -2.94 -0.79 -2.91 -0.78 1.13 0.93 -4.87 117.38 107.16 3krk n GLN 270 Ca -0.20 0.88 -0.41 0.00 -1.94 0.00 0.00 57.00 55.34 3krk n GLN 270 Cb 1.04 -4.87 -0.04 0.00 0.11 0.00 0.00 30.24 26.48 3krk n GLN 270 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3krk s VAL 271 N -2.43 4.97 0.01 5.09 1.01 -1.24 -5.03 120.40 122.77 3krk s VAL 271 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 3krk s VAL 271 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3krk s VAL 271 CO 0.00 0.20 1.05 -1.61 0.00 0.00 0.00 175.10 174.73 3krk s GLU 272 N 1.01 4.51 0.12 2.72 2.02 -1.26 -4.67 118.70 123.14 3krk s GLU 272 Ca 0.43 1.52 0.05 0.00 0.02 0.00 0.00 54.97 57.00 3krk s GLU 272 Cb -0.19 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 3krk s GLU 272 CO 0.21 -0.13 -0.13 -1.64 0.02 0.00 0.00 175.26 173.59 3krk s MET 273 N 1.09 0.98 -0.44 1.61 -1.94 -1.26 -4.74 119.30 114.60 3krk s MET 273 Ca 0.54 -1.21 -0.22 0.00 -1.71 0.00 0.00 55.69 53.08 3krk s MET 273 Cb -0.23 -0.84 0.02 0.00 2.01 0.00 0.00 34.83 35.79 3krk s MET 273 CO 0.28 0.16 0.75 0.42 -0.01 0.00 0.00 175.02 176.61 3krk s ILE 274 N -2.15 4.70 -0.01 2.53 1.01 -0.51 -5.02 121.20 121.76 3krk s ILE 274 Ca 0.08 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.13 3krk s ILE 274 Cb -0.05 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3krk s ILE 274 CO 0.02 -0.66 -0.02 -0.31 0.00 0.00 0.00 174.94 173.98 3krk s TYR 275 N 3.15 0.23 0.54 3.97 1.51 -1.26 -4.64 117.35 120.85 3krk s TYR 275 Ca 0.28 -0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 56.10 3krk s TYR 275 Cb -0.13 -0.18 -0.05 0.00 -0.11 0.00 0.00 41.96 41.49 3krk s TYR 275 CO 0.21 -0.02 1.23 -1.25 -1.11 0.00 0.00 175.55 174.61 3krk s PRO 276 N 0.12 3.24 0.43 -1.71 0.04 -1.26 -4.92 135.00 130.94 3krk s PRO 276 Ca -0.01 1.90 0.22 0.00 0.04 0.00 0.00 61.00 63.15 3krk s PRO 276 Cb -0.03 -2.14 1.19 0.00 0.04 0.00 0.00 34.50 33.56 3krk s PRO 276 CO -0.00 -1.01 1.80 -1.35 0.04 0.00 0.00 177.00 176.48 3krk h PRO 277 N 1.35 0.30 0.00 0.56 0.11 -2.03 -2.31 132.00 129.98 3krk h PRO 277 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3krk h PRO 277 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3krk h PRO 277 CO 0.57 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.17 3krk n HIS 278 N -4.51 0.00 -2.58 0.65 1.44 -1.26 -4.71 115.22 104.24 3krk n HIS 278 Ca 0.23 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.52 3krk n HIS 278 Cb 0.89 -0.40 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 3krk n HIS 278 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3krk s ILE 279 N -2.81 4.55 0.71 0.61 -1.09 -0.87 -5.02 121.20 117.28 3krk s ILE 279 Ca 0.10 1.85 -0.13 0.00 -2.23 0.00 0.00 60.65 60.24 3krk s ILE 279 Cb 0.09 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.81 3krk s ILE 279 CO 0.24 -0.06 1.09 -2.16 -1.23 0.00 0.00 174.94 172.83 3krk s PRO 280 N 2.53 2.60 0.25 2.79 0.04 -1.26 -4.89 135.00 137.06 3krk s PRO 280 Ca 0.50 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 3krk s PRO 280 Cb -0.20 -1.93 0.52 0.00 0.04 0.00 0.00 34.50 32.93 3krk s PRO 280 CO 0.16 -1.39 1.70 1.05 0.04 0.00 0.00 177.00 178.56 3krk h GLU 281 N -0.54 0.33 0.00 4.56 9.09 -1.96 -1.43 114.58 124.64 3krk h GLU 281 Ca -0.45 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 58.94 3krk h GLU 281 Cb 1.23 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3krk h GLU 281 CO 0.53 0.22 -0.01 -2.95 0.05 0.00 0.00 179.01 176.85 3krk h ASN 282 N 0.34 0.00 -0.66 3.06 -1.07 -2.03 -2.69 115.58 112.53 3krk h ASN 282 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.82 3krk h ASN 282 Cb 0.76 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 3krk h ASN 282 CO -0.49 0.01 0.00 0.18 0.07 0.00 0.00 177.43 177.20 3krk n LEU 283 N -3.11 4.19 -4.27 6.14 4.77 -0.55 -4.69 117.00 119.48 3krk n LEU 283 Ca 0.00 -2.19 -0.44 0.00 -0.03 0.00 0.00 56.01 53.36 3krk n LEU 283 Cb 0.31 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3krk n LEU 283 CO 0.27 0.90 1.21 0.00 -1.33 0.00 0.00 177.39 178.44 3krk n GLN 284 N 1.32 3.63 -2.11 3.23 6.02 -1.01 -4.88 117.38 123.58 3krk n GLN 284 Ca 0.24 -4.14 -0.41 0.00 -0.01 0.00 0.00 57.00 52.68 3krk n GLN 284 Cb 0.71 -2.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.19 3krk n GLN 284 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3krk s PHE 285 N -0.30 3.06 -0.25 1.08 0.08 -1.26 -0.97 117.98 119.42 3krk s PHE 285 Ca 0.36 1.36 -0.06 0.00 0.12 0.00 0.00 56.93 58.71 3krk s PHE 285 Cb -0.03 -3.69 -0.01 0.00 -0.57 0.00 0.00 43.02 38.72 3krk s PHE 285 CO -0.01 -1.95 0.04 0.00 -0.10 0.00 0.00 175.22 173.20 3krk s ALA 286 N -0.92 3.03 0.35 5.36 0.00 0.62 -4.73 121.76 125.47 3krk s ALA 286 Ca 0.51 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3krk s ALA 286 Cb -0.40 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3krk s ALA 286 CO 0.51 -0.60 0.09 0.14 0.00 0.00 0.00 175.76 175.90 3krk s VAL 287 N 1.54 0.84 0.34 0.00 -7.23 -1.26 -4.29 120.40 110.34 3krk s VAL 287 Ca 0.05 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 3krk s VAL 287 Cb -0.15 -2.59 0.32 0.00 0.56 0.00 0.00 36.38 34.51 3krk s VAL 287 CO 0.01 0.00 1.85 1.23 -0.31 0.00 0.00 175.10 177.89 3krk h GLY 288 N 2.03 1.33 -6.86 2.32 0.00 -1.46 -3.40 103.07 97.02 3krk h GLY 288 Ca -0.38 -0.33 -0.65 0.00 0.00 0.00 0.00 47.33 45.97 3krk h GLY 288 CO 0.63 0.09 -0.66 1.62 0.00 0.00 0.00 176.54 178.21 3krk s GLN 289 N -5.74 3.57 0.55 4.80 2.00 -0.99 -4.03 119.66 119.83 3krk s GLN 289 Ca -0.10 -0.53 0.33 0.00 -2.00 0.00 0.00 55.36 53.06 3krk s GLN 289 Cb 0.22 -3.14 1.49 0.00 0.80 0.00 0.00 33.01 32.38 3krk s GLN 289 CO 0.79 -0.10 1.82 0.93 -0.50 0.00 0.00 175.29 178.23 3krk h GLU 290 N 7.88 0.00 -0.02 1.67 3.07 -1.85 -2.69 114.58 122.64 3krk h GLU 290 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3krk h GLU 290 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3krk h GLU 290 CO 0.60 0.00 -0.18 1.33 -1.40 0.00 0.00 179.01 179.36 3krk n VAL 291 N -4.07 0.00 0.32 3.13 0.24 -1.26 -1.42 118.33 115.27 3krk n VAL 291 Ca 0.20 -0.41 0.09 0.00 -2.04 0.00 0.00 64.34 62.18 3krk n VAL 291 Cb 1.07 1.39 0.39 0.00 -1.47 0.00 0.00 33.84 35.23 3krk n VAL 291 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3krk n PHE 292 N 0.79 0.46 0.31 6.34 3.01 -1.02 -1.17 117.46 126.18 3krk n PHE 292 Ca 0.12 0.20 0.17 0.00 1.01 0.00 0.00 57.45 58.94 3krk n PHE 292 Cb 0.53 -0.82 0.73 0.00 -0.01 0.00 0.00 39.48 39.91 3krk n PHE 292 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3krk h GLY 293 N 1.57 0.00 0.46 1.37 0.00 -1.84 -3.28 103.07 101.35 3krk h GLY 293 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3krk h GLY 293 CO 0.00 0.00 0.60 -2.00 0.00 0.00 0.00 176.54 175.14 3krk h LEU 294 N 0.00 0.76 -7.57 3.11 5.85 -1.41 -3.37 115.31 112.69 3krk h LEU 294 Ca 0.00 0.05 -0.38 0.00 0.84 0.00 0.00 57.88 58.39 3krk h LEU 294 Cb 0.38 -0.10 -0.35 0.00 0.37 0.00 0.00 40.66 40.95 3krk h LEU 294 CO 0.00 0.38 -0.75 -0.69 -0.34 0.00 0.00 178.44 177.04 3krk s VAL 295 N -5.79 0.24 0.46 1.05 1.01 -1.24 0.06 120.40 116.20 3krk s VAL 295 Ca -0.11 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.08 3krk s VAL 295 Cb 0.22 -0.36 0.27 0.00 0.00 0.00 0.00 36.38 36.51 3krk s VAL 295 CO 0.80 0.18 2.10 -0.65 0.00 0.00 0.00 175.10 177.53 3krk h PRO 296 N 7.59 0.29 -0.42 2.72 0.11 -1.83 -1.27 132.00 139.20 3krk h PRO 296 Ca -0.34 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3krk h PRO 296 Cb 1.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3krk h PRO 296 CO 0.39 0.19 0.24 0.78 -0.21 0.00 0.00 178.00 179.40 3krk h GLY 297 N 0.30 0.60 0.79 -0.55 0.00 -1.95 0.25 103.07 102.51 3krk h GLY 297 Ca 0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3krk h GLY 297 CO -0.02 0.24 -0.49 1.41 0.00 0.00 0.00 176.54 177.68 3krk h LEU 298 N 0.57 0.53 -1.92 3.11 3.38 -1.56 -3.21 115.31 116.20 3krk h LEU 298 Ca 0.15 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3krk h LEU 298 Cb -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3krk h LEU 298 CO -0.03 1.14 -0.12 -0.03 0.09 0.00 0.00 178.44 179.49 3krk h MET 299 N -0.04 0.00 0.18 1.13 4.05 -0.91 -1.26 114.93 118.08 3krk h MET 299 Ca -0.05 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3krk h MET 299 Cb 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 3krk h MET 299 CO 0.10 0.12 -0.08 1.98 0.23 0.00 0.00 176.91 179.25 3krk h MET 300 N 0.00 -0.23 -0.20 0.39 1.85 -0.53 -2.26 114.93 113.95 3krk h MET 300 Ca -0.00 0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.98 3krk h MET 300 Cb 0.28 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 3krk h MET 300 CO 0.02 -0.11 -0.41 1.88 -0.40 0.00 0.00 176.91 177.88 3krk h TYR 301 N -0.28 0.55 -0.98 1.39 -1.99 -1.46 -2.01 116.97 112.18 3krk h TYR 301 Ca -0.02 -0.16 0.04 0.00 2.00 0.00 0.00 58.73 60.59 3krk h TYR 301 Cb 0.22 -0.12 -0.06 0.00 2.00 0.00 0.00 36.73 38.77 3krk h TYR 301 CO -0.05 0.80 0.64 0.00 -0.00 0.00 0.00 178.16 179.56 3krk h ALA 302 N 1.18 1.37 -0.12 3.88 0.00 -1.20 -0.84 119.26 123.53 3krk h ALA 302 Ca 0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3krk h ALA 302 Cb 0.89 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3krk h ALA 302 CO 0.07 0.52 -0.81 1.15 0.00 0.00 0.00 179.25 180.18 3krk h THR 303 N 1.23 1.28 -0.48 0.00 2.02 -1.17 -1.94 112.91 113.86 3krk h THR 303 Ca 0.40 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3krk h THR 303 Cb 0.03 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3krk h THR 303 CO -0.13 0.63 0.27 0.40 0.37 0.00 0.00 175.52 177.07 3krk h ILE 304 N 0.47 1.16 -0.06 3.11 2.04 -1.05 -1.99 117.51 121.19 3krk h ILE 304 Ca -0.07 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.22 3krk h ILE 304 Cb 1.45 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3krk h ILE 304 CO 0.17 0.17 -0.70 -0.50 0.00 0.00 0.00 178.15 177.28 3krk h TRP 305 N 0.63 0.38 -0.54 1.37 4.06 -1.18 -1.04 115.95 119.63 3krk h TRP 305 Ca 0.17 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3krk h TRP 305 Cb 0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3krk h TRP 305 CO -0.02 0.89 0.28 1.25 -3.56 0.00 0.00 178.44 177.28 3krk h LEU 306 N 0.19 0.69 -0.69 -4.49 6.46 -1.27 -0.64 115.31 115.56 3krk h LEU 306 Ca -0.02 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3krk h LEU 306 Cb 1.25 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 3krk h LEU 306 CO 0.11 0.60 0.43 0.03 -0.62 0.00 0.00 178.44 178.99 3krk h ARG 307 N 0.72 0.93 -0.59 1.25 3.08 -1.22 -2.19 114.38 116.36 3krk h ARG 307 Ca 0.19 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3krk h ARG 307 Cb 0.08 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3krk h ARG 307 CO -0.03 0.65 0.36 1.49 -1.07 0.00 0.00 179.97 181.37 3krk h GLU 308 N 0.94 0.79 0.02 0.04 4.57 -0.87 0.13 114.58 120.20 3krk h GLU 308 Ca 0.25 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 3krk h GLU 308 Cb -0.06 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 3krk h GLU 308 CO -0.05 0.56 -0.18 1.25 -1.18 0.00 0.00 179.01 179.42 3krk h HIS 309 N 0.80 -0.46 0.00 0.92 2.76 -0.87 -0.61 115.15 117.69 3krk h HIS 309 Ca 0.21 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 3krk h HIS 309 Cb -0.03 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3krk h HIS 309 CO -0.02 -0.26 -0.32 -0.91 -1.30 0.00 0.00 177.93 175.12 3krk h ASN 310 N -0.30 0.00 -0.50 3.26 2.35 -1.15 -1.54 115.58 117.70 3krk h ASN 310 Ca 0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3krk h ASN 310 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3krk h ASN 310 CO -0.16 0.32 0.00 -0.09 -1.65 0.00 0.00 177.43 175.86 3krk h ARG 311 N 0.00 0.89 -0.40 0.81 2.43 -0.33 -2.66 114.38 115.13 3krk h ARG 311 Ca -0.00 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.74 3krk h ARG 311 Cb 0.57 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3krk h ARG 311 CO 0.04 0.92 -0.30 0.28 -1.51 0.00 0.00 179.97 179.40 3krk h VAL 312 N 0.76 1.28 -0.74 0.20 2.07 -0.66 -2.39 116.25 116.76 3krk h VAL 312 Ca 0.14 -1.47 0.15 0.00 0.82 0.00 0.00 66.70 66.34 3krk h VAL 312 Cb 0.52 1.33 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 3krk h VAL 312 CO 0.03 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.36 3krk h ASP 314 N 0.37 0.50 -0.39 0.00 3.32 -1.13 -1.04 116.42 118.04 3krk h ASP 314 Ca 0.41 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3krk h ASP 314 Cb 0.65 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3krk h ASP 314 CO -0.44 0.37 0.11 0.40 -1.72 0.00 0.00 179.24 177.97 3krk h ILE 315 N 0.57 1.22 -0.36 0.35 2.04 -0.88 -2.55 117.51 117.91 3krk h ILE 315 Ca 0.15 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 3krk h ILE 315 Cb -0.04 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3krk h ILE 315 CO -0.03 0.25 -0.12 -0.07 0.00 0.00 0.00 178.15 178.19 3krk h LEU 316 N 0.49 0.61 -0.94 1.44 3.38 -0.71 -2.29 115.31 117.28 3krk h LEU 316 Ca 0.13 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3krk h LEU 316 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3krk h LEU 316 CO -0.00 0.76 -0.21 0.50 0.09 0.00 0.00 178.44 179.57 3krk h LYS 317 N 0.57 0.53 -0.58 1.13 3.64 -1.11 0.61 116.57 121.36 3krk h LYS 317 Ca 0.10 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3krk h LYS 317 Cb 0.54 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3krk h LYS 317 CO 0.03 0.71 0.11 0.37 -2.27 0.00 0.00 179.45 178.40 3krk h GLN 318 N 0.47 0.91 0.12 1.90 4.15 -1.07 -2.50 115.11 119.08 3krk h GLN 318 Ca 0.07 -0.21 -0.27 0.00 0.77 0.00 0.00 58.65 59.01 3krk h GLN 318 Cb 0.63 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3krk h GLN 318 CO 0.04 0.83 -1.27 0.93 -1.93 0.00 0.00 178.83 177.44 3krk h GLU 319 N 0.87 0.25 -2.77 1.69 4.39 -1.00 -3.41 114.58 114.59 3krk h GLU 319 Ca 0.18 -0.42 -0.61 0.00 0.34 0.00 0.00 59.36 58.85 3krk h GLU 319 Cb 0.35 0.16 -0.40 0.00 -0.10 0.00 0.00 28.75 28.76 3krk h GLU 319 CO 0.00 1.19 -0.73 0.72 -1.16 0.00 0.00 179.01 179.03 3krk n HIS 320 N -3.50 1.64 0.38 4.33 8.25 0.21 -4.91 115.22 121.61 3krk n HIS 320 Ca -0.09 -3.92 0.10 0.00 -0.26 0.00 0.00 57.72 53.55 3krk n HIS 320 Cb 1.02 -0.29 0.42 0.00 1.12 0.00 0.00 29.99 32.27 3krk n HIS 320 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3krk n PRO 321 N 2.24 0.12 0.16 -0.41 -0.04 -0.95 -2.42 135.00 133.71 3krk n PRO 321 Ca 0.24 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 3krk n PRO 321 Cb 0.40 -1.76 0.09 0.00 -0.04 0.00 0.00 33.50 32.19 3krk n PRO 321 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3krk h GLU 322 N 0.00 0.00 -7.12 0.54 9.09 -1.91 -3.47 114.58 111.71 3krk h GLU 322 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 3krk h GLU 322 Cb 0.27 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.46 3krk h GLU 322 CO 0.00 0.00 0.42 -1.58 0.05 0.00 0.00 179.01 177.90 3krk s TRP 323 N -3.29 2.61 0.55 2.06 0.52 -1.01 -5.07 118.94 115.32 3krk s TRP 323 Ca 0.03 1.54 -0.00 0.00 0.02 0.00 0.00 56.10 57.70 3krk s TRP 323 Cb 0.07 -3.28 0.11 0.00 -1.15 0.00 0.00 33.47 29.22 3krk s TRP 323 CO 0.73 -1.69 0.76 0.41 0.02 0.00 0.00 176.95 177.17 3krk n GLY 324 N 0.02 0.68 0.28 0.98 0.00 -1.26 -4.95 105.19 100.93 3krk n GLY 324 Ca 0.12 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 3krk n GLY 324 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3krk h ASP 325 N -0.45 0.83 -0.19 1.61 3.58 -1.92 -2.58 116.42 117.30 3krk h ASP 325 Ca -0.25 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 3krk h ASP 325 Cb 0.92 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 3krk h ASP 325 CO 0.27 0.68 0.02 -0.08 -2.88 0.00 0.00 179.24 177.25 3krk h GLU 326 N 0.91 0.31 -0.48 0.28 4.57 -1.95 -0.13 114.58 118.10 3krk h GLU 326 Ca 0.24 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.21 3krk h GLU 326 Cb 0.03 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3krk h GLU 326 CO -0.04 0.49 -0.17 0.37 -1.18 0.00 0.00 179.01 178.48 3krk h GLN 327 N 0.09 0.95 -0.49 1.92 4.15 -1.96 -1.25 115.11 118.51 3krk h GLN 327 Ca 0.06 -0.38 0.01 0.00 0.77 0.00 0.00 58.65 59.10 3krk h GLN 327 Cb 0.33 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3krk h GLN 327 CO 0.01 1.04 0.33 -0.07 -1.93 0.00 0.00 178.83 178.20 3krk h LEU 328 N 0.83 0.56 0.33 -2.39 3.38 -1.31 0.18 115.31 116.89 3krk h LEU 328 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3krk h LEU 328 Cb 0.73 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3krk h LEU 328 CO 0.06 0.41 -0.16 0.15 0.09 0.00 0.00 178.44 178.98 3krk h PHE 329 N 0.67 -0.42 -0.46 1.13 3.57 -0.81 -2.07 116.94 118.55 3krk h PHE 329 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3krk h PHE 329 Cb -0.08 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3krk h PHE 329 CO -0.04 -0.26 0.18 1.96 -2.23 0.00 0.00 178.31 177.92 3krk h GLN 330 N -0.45 0.69 -0.22 1.11 1.08 -1.07 -0.72 115.11 115.53 3krk h GLN 330 Ca -0.04 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 3krk h GLN 330 Cb 0.34 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3krk h GLN 330 CO 0.07 0.63 -0.28 1.15 -0.95 0.00 0.00 178.83 179.45 3krk h THR 331 N 0.61 1.27 -0.58 -0.54 2.02 -0.99 -1.68 112.91 113.02 3krk h THR 331 Ca 0.15 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 3krk h THR 331 Cb 0.20 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3krk h THR 331 CO -0.01 0.41 0.08 0.28 0.37 0.00 0.00 175.52 176.65 3krk h SER 332 N 0.38 0.92 -0.46 4.18 0.02 -0.91 -1.89 113.55 115.79 3krk h SER 332 Ca 0.05 -0.27 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3krk h SER 332 Cb 0.69 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3krk h SER 332 CO 0.05 0.96 0.20 -0.09 -1.14 0.00 0.00 176.83 176.81 3krk h ARG 333 N 0.86 0.39 -0.70 3.45 2.43 -0.66 -0.66 114.38 119.48 3krk h ARG 333 Ca 0.17 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3krk h ARG 333 Cb 0.43 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3krk h ARG 333 CO 0.01 0.25 0.16 -0.07 -1.51 0.00 0.00 179.97 178.82 3krk h LEU 334 N 0.40 1.07 -0.45 3.80 3.38 -1.13 -1.21 115.31 121.16 3krk h LEU 334 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3krk h LEU 334 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3krk h LEU 334 CO -0.18 1.03 0.14 0.40 0.09 0.00 0.00 178.44 179.92 3krk h ILE 335 N 1.07 1.22 -0.43 1.22 2.04 -1.17 -2.30 117.51 119.16 3krk h ILE 335 Ca 0.22 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3krk h ILE 335 Cb 0.38 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3krk h ILE 335 CO 0.00 0.27 0.01 -0.07 0.00 0.00 0.00 178.15 178.36 3krk h LEU 336 N 0.59 0.65 -0.31 1.44 4.07 -0.79 0.23 115.31 121.18 3krk h LEU 336 Ca 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3krk h LEU 336 Cb 0.26 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3krk h LEU 336 CO -0.00 0.71 0.21 0.40 -1.08 0.00 0.00 178.44 178.67 3krk h ILE 337 N 0.65 1.08 -0.14 1.22 2.04 -1.15 -0.56 117.51 120.65 3krk h ILE 337 Ca 0.13 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3krk h ILE 337 Cb 0.39 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3krk h ILE 337 CO 0.01 0.08 -0.06 1.23 0.00 0.00 0.00 178.15 179.41 3krk h GLY 338 N 0.42 0.07 0.50 5.37 0.00 -0.79 -1.77 103.07 106.87 3krk h GLY 338 Ca 0.11 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.61 3krk h GLY 338 CO -0.02 -0.08 0.42 0.83 0.00 0.00 0.00 176.54 177.68 3krk h GLU 339 N -0.04 0.68 -0.06 4.80 5.08 -0.33 -0.67 114.58 124.04 3krk h GLU 339 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3krk h GLU 339 Cb 0.16 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3krk h GLU 339 CO -0.17 0.45 0.02 1.15 -1.00 0.00 0.00 179.01 179.46 3krk h THR 340 N 0.70 1.15 -0.37 1.13 2.02 -0.76 -0.52 112.91 116.26 3krk h THR 340 Ca 0.37 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3krk h THR 340 Cb 0.37 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3krk h THR 340 CO -0.26 0.13 0.19 0.40 0.37 0.00 0.00 175.52 176.35 3krk h ILE 341 N -0.08 1.16 -0.40 3.11 2.04 -1.09 0.26 117.51 122.51 3krk h ILE 341 Ca 0.02 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3krk h ILE 341 Cb 0.18 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3krk h ILE 341 CO -0.00 0.17 0.07 0.50 0.00 0.00 0.00 178.15 178.89 3krk h LYS 342 N 0.46 0.19 -0.19 2.37 1.63 -0.95 -1.35 116.57 118.73 3krk h LYS 342 Ca 0.13 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3krk h LYS 342 Cb 0.10 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3krk h LYS 342 CO -0.02 0.12 0.00 0.82 -3.45 0.00 0.00 179.45 176.93 3krk h ILE 343 N 0.19 1.25 -0.98 2.00 2.04 -0.88 -1.39 117.51 119.75 3krk h ILE 343 Ca 0.19 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.28 3krk h ILE 343 Cb 0.24 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 3krk h ILE 343 CO -0.26 0.26 0.62 0.58 0.00 0.00 0.00 178.15 179.35 3krk h VAL 344 N 0.10 1.01 0.02 1.67 2.07 -0.59 -0.11 116.25 120.41 3krk h VAL 344 Ca 0.05 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3krk h VAL 344 Cb 0.39 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3krk h VAL 344 CO 0.01 0.20 -0.17 0.40 0.02 0.00 0.00 177.57 178.02 3krk h ILE 345 N 1.07 1.65 0.00 4.57 2.04 -1.22 0.37 117.51 126.00 3krk h ILE 345 Ca 0.45 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3krk h ILE 345 Cb 0.29 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 3krk h ILE 345 CO -0.21 0.57 -1.11 -0.62 0.00 0.00 0.00 178.15 176.78 3krk n GLU 346 N -4.54 0.56 -0.07 2.37 1.02 -0.53 -2.72 120.64 116.73 3krk n GLU 346 Ca -0.10 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 3krk n GLU 346 Cb 0.51 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3krk n GLU 346 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3krk n ASP 347 N -2.52 0.98 0.05 1.62 8.00 -0.12 -4.56 116.55 120.01 3krk n ASP 347 Ca -0.00 0.17 -0.05 0.00 0.71 0.00 0.00 54.79 55.62 3krk n ASP 347 Cb 0.53 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3krk n ASP 347 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3krk h TYR 348 N -0.49 -0.21 -0.63 1.24 3.20 -1.35 -1.75 116.97 116.97 3krk h TYR 348 Ca -0.34 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.45 3krk h TYR 348 Cb 1.28 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 3krk h TYR 348 CO -0.05 -0.05 0.11 0.28 -1.64 0.00 0.00 178.16 176.81 3krk h VAL 349 N -1.04 1.26 -0.27 1.81 2.07 -0.37 -2.17 116.25 117.53 3krk h VAL 349 Ca -0.02 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.56 3krk h VAL 349 Cb 0.26 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 3krk h VAL 349 CO 0.04 0.37 -0.28 -0.61 0.02 0.00 0.00 177.57 177.11 3krk h GLN 350 N 0.97 -0.27 -0.40 1.57 5.75 -1.59 0.45 115.11 121.60 3krk h GLN 350 Ca 0.20 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.72 3krk h GLN 350 Cb 0.41 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 3krk h GLN 350 CO 0.01 -0.18 0.26 1.25 -2.65 0.00 0.00 178.83 177.52 3krk h HIS 351 N -0.28 0.48 -0.56 3.99 2.76 -1.23 -2.99 115.15 117.33 3krk h HIS 351 Ca 0.14 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3krk h HIS 351 Cb 0.50 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 3krk h HIS 351 CO -0.44 0.30 0.27 1.25 -1.30 0.00 0.00 177.93 178.00 3krk h LEU 352 N 0.52 0.74 -0.88 0.26 5.85 -0.73 -3.15 115.31 117.92 3krk h LEU 352 Ca 0.15 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3krk h LEU 352 Cb -0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3krk h LEU 352 CO -0.04 0.66 0.55 0.77 -0.34 0.00 0.00 178.44 180.04 3krk h SER 353 N 0.76 1.04 0.00 1.25 4.64 0.02 -3.47 113.55 117.79 3krk h SER 353 Ca 0.19 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3krk h SER 353 Cb 0.12 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3krk h SER 353 CO -0.02 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 3krk n GLY 354 N -1.26 0.66 3.79 -0.77 0.00 -1.17 -5.03 105.19 101.41 3krk n GLY 354 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3krk n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3krk s TYR 355 N -2.60 2.92 -0.24 1.61 2.02 -1.26 -4.68 117.35 115.13 3krk s TYR 355 Ca 0.00 1.57 0.18 0.00 -0.37 0.00 0.00 57.07 58.45 3krk s TYR 355 Cb 0.00 -3.14 0.10 0.00 -0.40 0.00 0.00 41.96 38.52 3krk s TYR 355 CO 0.00 -1.03 1.35 0.45 -1.57 0.00 0.00 175.55 174.75 3krk h HIS 356 N 1.55 0.00 -3.32 2.71 3.86 -1.55 -3.45 115.15 114.94 3krk h HIS 356 Ca -0.50 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.19 3krk h HIS 356 Cb 1.23 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.73 3krk h HIS 356 CO 0.55 0.32 0.65 0.12 0.86 0.00 0.00 177.93 180.44 3krk s PHE 357 N -3.07 3.27 -0.49 2.45 5.36 -1.26 -4.77 117.98 119.48 3krk s PHE 357 Ca 0.03 1.19 -0.25 0.00 -0.96 0.00 0.00 56.93 56.95 3krk s PHE 357 Cb 0.07 -3.60 0.03 0.00 -0.34 0.00 0.00 43.02 39.19 3krk s PHE 357 CO 0.74 -1.89 0.93 0.15 -1.46 0.00 0.00 175.22 173.69 3krk s LYS 358 N 0.14 3.48 0.70 10.12 1.02 -1.26 -5.03 119.74 128.90 3krk s LYS 358 Ca 0.58 0.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.46 3krk s LYS 358 Cb -0.36 -3.96 0.02 0.00 -0.52 0.00 0.00 37.83 33.01 3krk s LYS 358 CO 0.36 -1.30 1.24 -0.51 -0.92 0.00 0.00 175.35 174.22 3krk s LEU 359 N 3.83 3.41 -0.03 3.17 1.43 -1.26 -4.99 118.68 124.24 3krk s LEU 359 Ca 0.35 2.46 0.02 0.00 -1.03 0.00 0.00 54.13 55.93 3krk s LEU 359 Cb -0.11 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.52 3krk s LEU 359 CO 0.24 -2.19 -0.07 -0.75 0.23 0.00 0.00 176.35 173.82 3krk s LYS 360 N -3.71 0.78 -0.44 1.70 2.20 -1.26 -4.75 119.74 114.26 3krk s LYS 360 Ca 0.78 -0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.98 3krk s LYS 360 Cb -0.32 -0.75 0.03 0.00 -1.51 0.00 0.00 37.83 35.27 3krk s LYS 360 CO 0.43 0.05 0.61 0.12 -0.36 0.00 0.00 175.35 176.20 3krk s PHE 361 N 0.35 3.08 -0.36 4.03 5.36 -1.26 -4.98 117.98 124.20 3krk s PHE 361 Ca -0.05 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 55.84 3krk s PHE 361 Cb -0.09 -3.30 0.17 0.00 -0.34 0.00 0.00 43.02 39.47 3krk s PHE 361 CO 0.00 -0.86 0.51 0.34 -1.46 0.00 0.00 175.22 173.75 3krk s ASP 362 N 2.02 -0.40 0.41 6.13 2.15 -1.26 -5.03 116.67 120.69 3krk s ASP 362 Ca 0.21 -0.78 0.20 0.00 0.43 0.00 0.00 52.55 52.61 3krk s ASP 362 Cb -0.15 1.41 1.15 0.00 -0.30 0.00 0.00 42.92 45.03 3krk s ASP 362 CO 0.18 -0.25 1.78 -0.65 -0.17 0.00 0.00 175.17 176.06 3krk h PRO 363 N 7.40 0.34 -0.02 4.34 0.11 -1.94 -2.00 132.00 140.24 3krk h PRO 363 Ca 0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3krk h PRO 363 Cb 1.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3krk h PRO 363 CO 0.17 0.23 0.08 0.93 -0.21 0.00 0.00 178.00 179.20 3krk h GLU 364 N 0.35 0.00 0.00 1.05 5.08 -1.96 -1.75 114.58 117.36 3krk h GLU 364 Ca 0.58 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 3krk h GLU 364 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 3krk h GLU 364 CO -0.26 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.62 3krk h LEU 365 N 0.00 0.00 -1.01 1.33 3.38 -1.77 -2.92 115.31 114.31 3krk h LEU 365 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3krk h LEU 365 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3krk h LEU 365 CO -0.00 0.06 -0.39 0.18 0.09 0.00 0.00 178.44 178.38 3krk n LEU 366 N -3.76 1.97 0.23 1.67 4.77 -0.66 -4.56 117.00 116.65 3krk n LEU 366 Ca -0.02 -0.70 0.06 0.00 -0.03 0.00 0.00 56.01 55.32 3krk n LEU 366 Cb 0.15 -0.02 0.53 0.00 -2.33 0.00 0.00 43.42 41.76 3krk n LEU 366 CO 0.29 0.36 0.91 -0.26 -1.33 0.00 0.00 177.39 177.36 3krk h PHE 367 N 2.48 0.00 -0.60 -1.77 0.04 -1.62 0.03 116.94 115.49 3krk h PHE 367 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3krk h PHE 367 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 3krk h PHE 367 CO 0.00 0.17 0.00 0.27 -0.60 0.00 0.00 178.31 178.15 3krk n ASN 368 N -4.24 3.84 -4.51 2.17 6.94 -1.26 -4.97 115.26 113.23 3krk n ASN 368 Ca -0.02 -2.22 -0.28 0.00 -0.02 0.00 0.00 54.58 52.04 3krk n ASN 368 Cb 0.24 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.07 3krk n ASN 368 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3krk s GLN 369 N -1.52 1.84 -0.36 -3.83 -1.52 -0.01 -5.09 119.66 109.17 3krk s GLN 369 Ca 0.43 -1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 52.29 3krk s GLN 369 Cb 0.26 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.96 3krk s GLN 369 CO 0.25 0.45 1.45 -0.65 -0.25 0.00 0.00 175.29 176.54 3krk s GLN 370 N -2.46 3.64 -0.15 2.91 -0.21 -1.26 -4.98 119.66 117.15 3krk s GLN 370 Ca 0.21 1.12 -0.13 0.00 0.02 0.00 0.00 55.36 56.58 3krk s GLN 370 Cb -0.10 -4.01 0.04 0.00 1.00 0.00 0.00 33.01 29.94 3krk s GLN 370 CO 0.12 -1.48 0.39 0.12 -2.12 0.00 0.00 175.29 172.33 3krk s PHE 371 N 5.33 -0.45 -0.31 0.91 5.36 -1.26 -5.08 117.98 122.49 3krk s PHE 371 Ca 0.63 1.07 -0.16 0.00 -0.96 0.00 0.00 56.93 57.52 3krk s PHE 371 Cb -0.16 0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.65 3krk s PHE 371 CO 0.30 -0.22 0.40 -0.65 -1.46 0.00 0.00 175.22 173.60 3krk s GLN 372 N 0.32 3.80 -1.47 10.12 -1.52 -1.26 -4.99 119.66 124.66 3krk s GLN 372 Ca -0.01 -0.13 -0.11 0.00 -1.95 0.00 0.00 55.36 53.16 3krk s GLN 372 Cb -0.03 -3.73 0.03 0.00 -0.22 0.00 0.00 33.01 29.05 3krk s GLN 372 CO -0.01 -0.43 2.44 0.66 -0.25 0.00 0.00 175.29 177.70 3krk n TYR 373 N 5.44 2.95 -3.52 0.91 4.01 -1.26 -4.66 117.16 121.02 3krk n TYR 373 Ca -0.08 -2.97 -0.11 0.00 -0.16 0.00 0.00 57.90 54.58 3krk n TYR 373 Cb 0.50 -2.35 -0.03 0.00 -0.31 0.00 0.00 39.34 37.14 3krk n TYR 373 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3krk s GLN 374 N 1.87 1.17 -0.07 -0.72 -2.07 -1.17 -4.60 119.66 114.07 3krk s GLN 374 Ca 0.54 -0.57 -0.14 0.00 -1.82 0.00 0.00 55.36 53.37 3krk s GLN 374 Cb 0.15 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.63 3krk s GLN 374 CO -0.07 -0.49 0.34 1.21 -1.32 0.00 0.00 175.29 174.96 3krk s ASN 375 N -2.75 -0.28 -0.07 12.60 2.47 -1.25 -4.77 114.94 120.89 3krk s ASN 375 Ca 0.02 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.67 3krk s ASN 375 Cb 0.00 0.50 0.02 0.00 -1.45 0.00 0.00 41.25 40.32 3krk s ASN 375 CO -0.12 -0.31 -0.05 -0.60 -3.72 0.00 0.00 177.10 172.30 3krk s ARG 376 N -0.67 1.04 0.06 0.43 6.06 -1.26 -4.79 118.95 119.82 3krk s ARG 376 Ca -0.08 -0.11 -0.31 0.00 -2.50 0.00 0.00 55.73 52.74 3krk s ARG 376 Cb -0.04 -1.15 -0.07 0.00 0.06 0.00 0.00 34.95 33.75 3krk s ARG 376 CO 0.03 -0.19 1.48 0.42 -2.50 0.00 0.00 175.30 174.54 3krk s ILE 377 N 1.44 3.35 0.06 4.11 -1.09 -1.26 -4.78 121.20 123.03 3krk s ILE 377 Ca -0.02 0.84 -0.20 0.00 -2.23 0.00 0.00 60.65 59.04 3krk s ILE 377 Cb -0.13 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 37.14 3krk s ILE 377 CO -0.03 0.02 0.59 0.00 -1.23 0.00 0.00 174.94 174.29 3krk s ALA 378 N 2.08 3.55 0.26 9.38 0.00 -1.26 -0.91 121.76 134.86 3krk s ALA 378 Ca 0.67 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 3krk s ALA 378 Cb -0.36 -2.69 0.54 0.00 0.00 0.00 0.00 23.12 20.61 3krk s ALA 378 CO 0.29 0.32 1.75 1.03 0.00 0.00 0.00 175.76 179.16 3krk h SER 379 N 4.86 0.48 0.54 0.00 0.87 -1.07 -1.91 113.55 117.31 3krk h SER 379 Ca -0.48 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.11 3krk h SER 379 Cb 1.21 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3krk h SER 379 CO 0.65 0.19 -0.32 -0.33 -0.53 0.00 0.00 176.83 176.49 3krk h GLU 380 N 0.58 0.00 -0.41 2.24 3.07 -1.94 -0.76 114.58 117.36 3krk h GLU 380 Ca 0.46 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.25 3krk h GLU 380 Cb 0.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3krk h GLU 380 CO -0.38 0.32 -0.05 0.35 -1.40 0.00 0.00 179.01 177.85 3krk h PHE 381 N 0.00 0.83 -0.04 4.33 -0.00 -1.75 -1.23 116.94 119.09 3krk h PHE 381 Ca -0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 57.97 57.82 3krk h PHE 381 Cb 0.68 -0.21 -0.01 0.00 -0.00 0.00 0.00 35.95 36.40 3krk h PHE 381 CO 0.00 0.85 -0.03 -0.97 -0.00 0.00 0.00 178.31 178.16 3krk h ASN 382 N 0.57 -0.09 -0.47 0.41 -1.24 -0.99 -2.80 115.58 110.98 3krk h ASN 382 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3krk h ASN 382 Cb 0.55 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3krk h ASN 382 CO 0.03 -0.04 0.30 0.74 -1.29 0.00 0.00 177.43 177.17 3krk h THR 383 N -0.03 1.13 0.00 -3.57 2.02 -1.09 -2.10 112.91 109.27 3krk h THR 383 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3krk h THR 383 Cb 0.07 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3krk h THR 383 CO -0.06 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.96 3krk n LEU 384 N -4.75 0.66 -0.90 2.58 -0.00 -0.47 -2.64 117.00 111.48 3krk n LEU 384 Ca 0.02 0.68 0.11 0.00 -0.00 0.00 0.00 56.01 56.81 3krk n LEU 384 Cb 0.03 -0.61 0.28 0.00 -0.00 0.00 0.00 43.42 43.12 3krk n LEU 384 CO 0.35 -0.61 0.73 0.00 -0.00 0.00 0.00 177.39 177.86 3krk n TYR 385 N -2.24 0.42 -1.40 1.47 4.19 -0.79 -4.62 117.16 114.18 3krk n TYR 385 Ca 0.02 -0.21 -0.41 0.00 3.31 0.00 0.00 57.90 60.61 3krk n TYR 385 Cb 0.21 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.01 3krk n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3krk n HIS 386 N 0.98 2.64 -1.34 2.98 8.25 -1.08 -4.79 115.22 122.85 3krk n HIS 386 Ca 0.18 -2.43 -0.27 0.00 -0.26 0.00 0.00 57.72 54.94 3krk n HIS 386 Cb 0.48 -2.14 -0.08 0.00 1.12 0.00 0.00 29.99 29.36 3krk n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3krk n TRP 387 N 6.41 1.41 -0.19 4.41 8.01 -1.26 -4.67 117.44 131.56 3krk n TRP 387 Ca 0.52 -2.25 0.10 0.00 -1.31 0.00 0.00 57.50 54.56 3krk n TRP 387 Cb 0.37 -1.85 0.40 0.00 -2.01 0.00 0.00 31.31 28.22 3krk n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3krk h HIS 388 N 3.82 0.70 0.00 -5.99 3.86 -1.97 -2.26 115.15 113.32 3krk h HIS 388 Ca 0.51 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 3krk h HIS 388 Cb 0.82 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3krk h HIS 388 CO 1.73 0.33 0.00 -1.35 0.86 0.00 0.00 177.93 179.49 3krk h PRO 389 N 0.66 0.00 -0.36 2.45 0.11 -1.83 -2.72 132.00 130.31 3krk h PRO 389 Ca 0.35 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.51 3krk h PRO 389 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3krk h PRO 389 CO -0.13 0.00 0.24 -0.07 -0.21 0.00 0.00 178.00 177.83 3krk h LEU 390 N 0.00 0.23 -9.93 2.35 3.38 -1.56 -3.28 115.31 106.50 3krk h LEU 390 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3krk h LEU 390 Cb 0.17 -0.05 0.08 0.00 0.09 0.00 0.00 40.66 40.95 3krk h LEU 390 CO 0.00 0.15 0.61 -0.76 0.09 0.00 0.00 178.44 178.54 3krk s LEU 391 N -9.22 4.25 0.82 1.67 1.43 -1.02 -0.72 118.68 115.90 3krk s LEU 391 Ca -0.07 2.65 -0.09 0.00 -1.03 0.00 0.00 54.13 55.59 3krk s LEU 391 Cb 0.18 -3.86 0.14 0.00 0.03 0.00 0.00 46.19 42.68 3krk s LEU 391 CO 0.72 -0.78 1.14 -2.16 0.23 0.00 0.00 176.35 175.50 3krk s PRO 392 N -2.16 1.39 0.11 1.29 0.04 -1.26 -4.49 135.00 129.93 3krk s PRO 392 Ca 0.55 -0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.01 3krk s PRO 392 Cb -0.38 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 3krk s PRO 392 CO 0.49 -1.80 1.26 -0.44 0.04 0.00 0.00 177.00 176.54 3krk h ASP 393 N -1.03 0.46 -4.90 6.66 3.32 -1.96 -3.46 116.42 115.50 3krk h ASP 393 Ca -0.42 -0.41 -0.18 0.00 0.02 0.00 0.00 57.03 56.04 3krk h ASP 393 Cb 1.27 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 3krk h ASP 393 CO 0.46 1.24 -0.69 0.42 -1.72 0.00 0.00 179.24 178.94 3krk s THR 394 N -3.04 0.45 -0.33 0.35 -4.23 -1.26 -4.48 115.64 103.09 3krk s THR 394 Ca -0.05 -1.74 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 3krk s THR 394 Cb 0.08 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.50 3krk s THR 394 CO 0.87 -0.86 0.17 -0.36 -0.54 0.00 0.00 174.62 173.90 3krk s PHE 395 N -3.41 3.20 -0.49 3.99 0.08 0.36 -4.87 117.98 116.84 3krk s PHE 395 Ca 0.06 -0.68 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 3krk s PHE 395 Cb 0.04 -2.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.20 3krk s PHE 395 CO -0.06 -0.51 0.42 -0.80 -0.10 0.00 0.00 175.22 174.17 3krk s ASN 396 N 1.60 6.13 -0.20 1.36 0.01 -1.26 -1.15 114.94 121.43 3krk s ASN 396 Ca 0.04 -1.49 -0.02 0.00 -0.71 0.00 0.00 52.86 50.67 3krk s ASN 396 Cb -0.18 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.30 3krk s ASN 396 CO 0.06 -0.71 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.22 3krk s ILE 397 N 1.62 3.02 0.00 0.60 -1.09 -0.72 -4.61 121.20 120.01 3krk s ILE 397 Ca 0.04 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3krk s ILE 397 Cb -0.26 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 3krk s ILE 397 CO 0.05 0.46 0.00 1.21 -1.23 0.00 0.00 174.94 175.44 3krk n GLU 398 N 4.57 0.00 0.01 2.79 2.13 -1.26 -0.44 120.64 128.44 3krk n GLU 398 Ca -0.19 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.74 3krk n GLU 398 Cb 0.51 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.10 3krk n GLU 398 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3krk n ASP 399 N 8.21 0.35 -4.91 4.31 8.00 -1.26 -5.00 116.55 126.25 3krk n ASP 399 Ca 0.00 -0.18 -0.28 0.00 0.71 0.00 0.00 54.79 55.04 3krk n ASP 399 Cb 0.00 1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 42.56 3krk n ASP 399 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3krk s GLN 400 N -3.36 3.62 -0.31 -1.24 -1.52 0.41 -5.08 119.66 112.17 3krk s GLN 400 Ca -0.03 -0.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 3krk s GLN 400 Cb 0.14 -2.66 0.10 0.00 -0.22 0.00 0.00 33.01 30.36 3krk s GLN 400 CO 0.88 0.23 0.07 -1.21 -0.25 0.00 0.00 175.29 175.01 3krk s GLU 401 N -3.56 0.96 -0.06 2.91 2.02 -1.26 -1.76 118.70 117.94 3krk s GLU 401 Ca 0.43 -1.25 -0.20 0.00 0.02 0.00 0.00 54.97 53.97 3krk s GLU 401 Cb -0.11 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 3krk s GLU 401 CO 0.30 -0.94 0.55 0.71 0.02 0.00 0.00 175.26 175.90 3krk s TYR 402 N 1.43 3.59 0.99 1.61 2.02 -0.30 -4.82 117.35 121.87 3krk s TYR 402 Ca 0.09 1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 57.73 3krk s TYR 402 Cb -0.18 -2.60 0.18 0.00 -0.40 0.00 0.00 41.96 38.96 3krk s TYR 402 CO -0.19 0.24 1.09 -1.54 -1.57 0.00 0.00 175.55 173.58 3krk s SER 403 N 0.29 2.68 0.24 2.29 1.04 -1.26 -0.49 113.70 118.49 3krk s SER 403 Ca 0.30 1.23 -0.05 0.00 0.48 0.00 0.00 55.95 57.90 3krk s SER 403 Cb -0.17 -1.89 0.36 0.00 0.10 0.00 0.00 66.02 64.42 3krk s SER 403 CO 0.14 -3.10 1.83 -0.26 0.98 0.00 0.00 173.24 172.83 3krk h PHE 404 N -1.87 0.90 -0.78 5.02 -1.00 -1.96 -1.34 116.94 115.91 3krk h PHE 404 Ca -0.54 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.23 3krk h PHE 404 Cb 1.32 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 3krk h PHE 404 CO 0.31 0.41 0.34 -0.22 -1.61 0.00 0.00 178.31 177.54 3krk h LYS 405 N 0.86 1.14 0.00 1.51 3.64 -1.94 -0.56 116.57 121.22 3krk h LYS 405 Ca 0.38 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3krk h LYS 405 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3krk h LYS 405 CO -0.21 0.90 -0.55 1.96 -2.27 0.00 0.00 179.45 179.28 3krk h GLN 406 N 1.12 0.00 0.08 1.90 4.20 -1.84 -3.35 115.11 117.22 3krk h GLN 406 Ca 0.26 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.78 3krk h GLN 406 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3krk h GLN 406 CO -0.03 0.55 -0.94 0.35 -0.67 0.00 0.00 178.83 178.09 3krk h PHE 407 N 0.00 0.30 -2.16 2.96 3.57 -0.93 -3.42 116.94 117.26 3krk h PHE 407 Ca -0.01 -0.22 -0.60 0.00 3.53 0.00 0.00 57.97 60.67 3krk h PHE 407 Cb 1.24 -0.01 0.05 0.00 2.79 0.00 0.00 35.95 40.02 3krk h PHE 407 CO 0.00 1.37 0.80 1.28 -2.23 0.00 0.00 178.31 179.53 3krk n LEU 408 N -4.20 2.97 -1.53 0.59 4.32 -0.25 -2.28 117.00 116.61 3krk n LEU 408 Ca -0.20 1.07 -0.20 0.00 -0.02 0.00 0.00 56.01 56.66 3krk n LEU 408 Cb 0.76 -1.39 -0.09 0.00 -1.62 0.00 0.00 43.42 41.09 3krk n LEU 408 CO 0.38 -0.34 -0.19 -1.22 -1.22 0.00 0.00 177.39 174.79 3krk n TYR 409 N 3.82 0.00 -3.69 -1.77 4.01 0.11 -4.93 117.16 114.71 3krk n TYR 409 Ca 0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.59 3krk n TYR 409 Cb 0.27 -3.40 -0.08 0.00 -0.31 0.00 0.00 39.34 35.83 3krk n TYR 409 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3krk n ASN 410 N -1.31 3.91 0.00 7.72 2.85 -0.97 -4.87 115.26 122.60 3krk n ASN 410 Ca -0.20 -3.17 0.11 0.00 -0.11 0.00 0.00 54.58 51.20 3krk n ASN 410 Cb 0.67 -0.96 0.51 0.00 1.24 0.00 0.00 39.78 41.24 3krk n ASN 410 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3krk n ASN 411 N 2.12 0.00 0.11 1.20 3.02 -1.26 -2.75 115.26 117.70 3krk n ASN 411 Ca 0.22 0.28 0.06 0.00 -0.03 0.00 0.00 54.58 55.11 3krk n ASN 411 Cb 0.36 -0.41 0.52 0.00 -0.61 0.00 0.00 39.78 39.64 3krk n ASN 411 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3krk h SER 412 N 0.00 0.27 -0.85 6.41 0.02 -1.95 -1.94 113.55 115.51 3krk h SER 412 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3krk h SER 412 Cb 0.31 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3krk h SER 412 CO 0.00 0.19 0.52 0.40 -1.14 0.00 0.00 176.83 176.80 3krk h ILE 413 N 0.31 1.23 -0.18 3.27 2.04 -1.91 -0.04 117.51 122.23 3krk h ILE 413 Ca 0.09 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3krk h ILE 413 Cb -0.02 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 3krk h ILE 413 CO -0.02 0.24 0.02 0.25 0.00 0.00 0.00 178.15 178.64 3krk h LEU 414 N 1.16 0.30 -0.64 1.44 5.85 -1.55 -2.48 115.31 119.39 3krk h LEU 414 Ca 0.31 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3krk h LEU 414 Cb -0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3krk h LEU 414 CO -0.06 0.51 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.27 3krk h LEU 415 N 0.08 0.86 -0.09 2.25 3.38 -1.35 0.18 115.31 120.62 3krk h LEU 415 Ca 0.05 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3krk h LEU 415 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3krk h LEU 415 CO 0.01 1.04 0.05 -0.33 0.09 0.00 0.00 178.44 179.29 3krk h GLU 416 N 0.74 0.13 0.11 1.13 4.39 -0.98 -3.31 114.58 116.78 3krk h GLU 416 Ca 0.10 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.44 3krk h GLU 416 Cb 0.74 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 3krk h GLU 416 CO 0.06 0.16 -1.86 0.45 -1.16 0.00 0.00 179.01 176.66 3krk h HIS 417 N 0.05 0.43 0.00 4.33 3.86 -1.47 -3.51 115.15 118.84 3krk h HIS 417 Ca 0.03 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3krk h HIS 417 Cb 0.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3krk h HIS 417 CO -0.05 1.60 0.00 0.41 0.86 0.00 0.00 177.93 180.75 3krk n GLY 418 N 1.87 -0.03 0.31 2.45 0.00 0.62 -4.31 105.19 106.10 3krk n GLY 418 Ca -0.27 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 3krk n GLY 418 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3krk h LEU 419 N 0.00 1.04 0.13 0.99 -0.00 -1.95 -2.42 115.31 113.11 3krk h LEU 419 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 3krk h LEU 419 Cb 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 3krk h LEU 419 CO 0.00 1.04 -0.12 0.74 -0.00 0.00 0.00 178.44 180.10 3krk h THR 420 N 1.01 0.73 -0.24 0.22 2.02 -1.85 0.96 112.91 115.75 3krk h THR 420 Ca 0.20 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 3krk h THR 420 Cb 0.44 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3krk h THR 420 CO 0.01 0.00 -0.11 1.56 0.37 0.00 0.00 175.52 177.35 3krk h GLN 421 N -0.27 0.40 -0.33 6.66 1.08 -1.74 -0.58 115.11 120.33 3krk h GLN 421 Ca 0.00 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3krk h GLN 421 Cb 0.26 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3krk h GLN 421 CO -0.03 0.52 0.15 0.74 -0.95 0.00 0.00 178.83 179.26 3krk h PHE 422 N 0.37 0.48 -0.13 2.96 -1.00 -1.02 -0.75 116.94 117.85 3krk h PHE 422 Ca 0.07 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3krk h PHE 422 Cb 0.43 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 3krk h PHE 422 CO 0.01 0.42 -0.01 0.28 -1.61 0.00 0.00 178.31 177.40 3krk h VAL 423 N 0.39 1.27 -0.75 -0.55 2.07 -0.53 -1.17 116.25 116.99 3krk h VAL 423 Ca 0.11 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3krk h VAL 423 Cb 0.13 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3krk h VAL 423 CO -0.01 0.26 0.45 -0.33 0.02 0.00 0.00 177.57 177.95 3krk h GLU 424 N -0.05 1.02 -0.13 1.57 5.08 -1.11 -1.38 114.58 119.58 3krk h GLU 424 Ca 0.04 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3krk h GLU 424 Cb 0.40 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3krk h GLU 424 CO 0.01 0.72 -0.11 0.77 -1.00 0.00 0.00 179.01 179.40 3krk h SER 425 N 1.02 0.31 0.58 1.42 0.02 -1.13 -3.22 113.55 112.55 3krk h SER 425 Ca 0.27 -0.47 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3krk h SER 425 Cb -0.03 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3krk h SER 425 CO -0.05 0.72 -0.41 -0.26 -1.14 0.00 0.00 176.83 175.69 3krk h PHE 426 N -0.09 0.00 -0.33 3.45 0.04 -1.15 -2.37 116.94 116.49 3krk h PHE 426 Ca 0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 3krk h PHE 426 Cb 0.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3krk h PHE 426 CO 0.08 0.41 -0.00 1.15 -0.60 0.00 0.00 178.31 179.35 3krk h THR 427 N 0.00 1.19 -0.01 -1.55 2.02 -1.29 -1.49 112.91 111.79 3krk h THR 427 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3krk h THR 427 Cb 0.80 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3krk h THR 427 CO 0.05 0.26 -0.53 -2.11 0.37 0.00 0.00 175.52 173.57 3krk n ARG 428 N -4.28 1.14 -3.02 6.66 1.85 -1.10 -4.18 116.66 113.73 3krk n ARG 428 Ca 0.01 -0.85 -0.41 0.00 -1.00 0.00 0.00 57.85 55.61 3krk n ARG 428 Cb 0.24 -1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 30.15 3krk n ARG 428 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3krk s GLN 429 N -2.47 4.20 0.48 2.89 0.74 -0.91 -4.95 119.66 119.64 3krk s GLN 429 Ca 0.16 0.75 -0.21 0.00 0.05 0.00 0.00 55.36 56.11 3krk s GLN 429 Cb 0.17 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.60 3krk s GLN 429 CO 0.59 -0.35 1.09 -1.50 -0.55 0.00 0.00 175.29 174.57 3krk s ILE 430 N 2.26 3.47 0.42 -2.34 2.07 -1.26 -1.11 121.20 124.71 3krk s ILE 430 Ca 0.31 0.99 0.05 0.00 -1.41 0.00 0.00 60.65 60.60 3krk s ILE 430 Cb -0.16 -3.44 0.01 0.00 0.13 0.00 0.00 42.46 38.99 3krk s ILE 430 CO 0.10 -0.13 0.59 0.00 -1.91 0.00 0.00 174.94 173.59 3krk s ALA 431 N -1.78 4.22 0.54 1.50 0.00 0.14 -4.74 121.76 121.64 3krk s ALA 431 Ca 0.66 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3krk s ALA 431 Cb -0.22 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 3krk s ALA 431 CO 0.26 -0.30 0.95 0.20 0.00 0.00 0.00 175.76 176.87 3krk s GLY 432 N -4.29 1.81 0.15 0.00 0.00 0.10 -0.57 107.32 104.52 3krk s GLY 432 Ca 0.51 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 3krk s GLY 432 CO 0.34 0.17 1.07 -1.60 0.00 0.00 0.00 173.10 173.08 3krk s ARG 433 N -4.59 4.61 -0.13 2.90 3.52 -0.76 -4.17 118.95 120.33 3krk s ARG 433 Ca 0.55 1.65 -0.15 0.00 -0.13 0.00 0.00 55.73 57.65 3krk s ARG 433 Cb -0.10 -3.31 -0.13 0.00 -1.56 0.00 0.00 34.95 29.85 3krk s ARG 433 CO 0.42 0.08 0.32 0.28 -0.81 0.00 0.00 175.30 175.60 3krk h VAL 434 N 3.88 0.83 -4.50 7.11 2.07 -1.85 -3.43 116.25 120.37 3krk h VAL 434 Ca -0.44 -1.67 -0.49 0.00 0.82 0.00 0.00 66.70 64.92 3krk h VAL 434 Cb 1.21 1.62 0.08 0.00 -1.52 0.00 0.00 31.29 32.68 3krk h VAL 434 CO 0.73 0.28 0.41 0.00 0.02 0.00 0.00 177.57 179.01 3krk s ALA 435 N -2.41 2.83 0.00 1.67 0.00 -0.63 -4.51 121.76 118.71 3krk s ALA 435 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3krk s ALA 435 Cb -0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3krk s ALA 435 CO 0.36 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3krk n GLY 436 N -3.04 0.32 0.00 0.00 0.00 -0.71 -4.87 105.19 96.89 3krk n GLY 436 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3krk n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krk n GLY 437 N -1.75 -0.86 3.79 -0.02 0.00 0.12 -4.88 105.19 101.59 3krk n GLY 437 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 3krk n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krk n ARG 438 N -0.51 -3.12 -0.15 1.61 1.74 -0.15 -4.88 116.66 111.20 3krk n ARG 438 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3krk n ARG 438 Cb 0.00 -4.62 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 3krk n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3krk n ASN 439 N -2.92 0.00 -4.66 0.55 5.15 -0.52 -3.81 115.26 109.05 3krk n ASN 439 Ca -0.24 -1.25 -0.43 0.00 -0.60 0.00 0.00 54.58 52.06 3krk n ASN 439 Cb 0.66 -0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 3krk n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3krk s VAL 440 N 0.00 4.68 0.34 3.44 1.01 -0.35 -4.29 120.40 125.23 3krk s VAL 440 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 3krk s VAL 440 Cb 0.00 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 3krk s VAL 440 CO 0.00 -0.19 1.46 -2.16 0.00 0.00 0.00 175.10 174.21 3krk s PRO 441 N 3.20 4.18 0.55 2.72 0.04 -1.26 -0.42 135.00 144.00 3krk s PRO 441 Ca 0.44 2.47 0.25 0.00 0.04 0.00 0.00 61.00 64.20 3krk s PRO 441 Cb -0.15 -3.01 1.56 0.00 0.04 0.00 0.00 34.50 32.94 3krk s PRO 441 CO 0.07 -0.46 2.17 0.82 0.04 0.00 0.00 177.00 179.63 3krk h ILE 442 N 3.10 0.69 -0.76 0.56 2.04 -1.95 -1.93 117.51 119.25 3krk h ILE 442 Ca -0.49 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.30 3krk h ILE 442 Cb 1.23 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 3krk h ILE 442 CO 0.68 0.04 0.50 0.00 0.00 0.00 0.00 178.15 179.38 3krk h ALA 443 N 1.96 1.86 -0.61 1.87 0.00 -1.99 -1.94 119.26 120.40 3krk h ALA 443 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3krk h ALA 443 Cb 0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 17.60 3krk h ALA 443 CO 0.01 -0.03 0.22 1.33 0.00 0.00 0.00 179.25 180.77 3krk n VAL 444 N -4.50 2.79 -0.27 0.00 0.24 -0.73 -4.68 118.33 111.18 3krk n VAL 444 Ca 0.13 -2.19 0.07 0.00 -2.04 0.00 0.00 64.34 60.31 3krk n VAL 444 Cb 0.37 -0.36 0.21 0.00 -1.47 0.00 0.00 33.84 32.59 3krk n VAL 444 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3krk h GLN 445 N 1.42 0.39 -0.16 7.34 4.15 -1.36 -1.94 115.11 124.95 3krk h GLN 445 Ca 0.33 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.63 3krk h GLN 445 Cb 2.13 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.72 3krk h GLN 445 CO 0.65 0.26 -0.34 0.00 -1.93 0.00 0.00 178.83 177.47 3krk h ALA 446 N 1.59 1.12 -0.27 3.38 0.00 -1.83 -2.57 119.26 120.68 3krk h ALA 446 Ca 0.44 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3krk h ALA 446 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3krk h ALA 446 CO -0.45 0.56 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 3krk h VAL 447 N 0.29 1.31 -0.69 0.00 2.07 -1.73 -1.74 116.25 115.75 3krk h VAL 447 Ca 0.04 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3krk h VAL 447 Cb 0.74 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3krk h VAL 447 CO 0.06 0.44 0.35 0.00 0.02 0.00 0.00 177.57 178.44 3krk h ALA 448 N 0.70 0.89 -0.76 1.67 0.00 -1.39 -1.97 119.26 118.40 3krk h ALA 448 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3krk h ALA 448 Cb 0.80 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3krk h ALA 448 CO 0.06 0.44 0.32 -0.22 0.00 0.00 0.00 179.25 179.85 3krk h LYS 449 N 0.96 1.12 -0.46 0.00 3.64 -1.42 -2.78 116.57 117.64 3krk h LYS 449 Ca 0.24 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3krk h LYS 449 Cb 0.09 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3krk h LYS 449 CO -0.03 0.90 0.11 0.00 -2.27 0.00 0.00 179.45 178.15 3krk h ALA 450 N 1.24 1.33 -0.59 5.00 0.00 -0.90 -0.08 119.26 125.27 3krk h ALA 450 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3krk h ALA 450 Cb 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3krk h ALA 450 CO -0.02 0.47 0.18 0.77 0.00 0.00 0.00 179.25 180.65 3krk h SER 451 N 0.67 0.83 -0.01 0.00 0.02 -1.09 0.24 113.55 114.20 3krk h SER 451 Ca 0.15 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3krk h SER 451 Cb 0.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3krk h SER 451 CO -0.00 0.79 -0.02 0.40 -1.14 0.00 0.00 176.83 176.86 3krk h ILE 452 N 0.87 1.40 -0.60 3.27 2.04 -1.31 -2.68 117.51 120.50 3krk h ILE 452 Ca 0.20 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3krk h ILE 452 Cb 0.26 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3krk h ILE 452 CO -0.01 0.32 0.36 0.44 0.00 0.00 0.00 178.15 179.26 3krk h ASP 453 N -0.46 0.72 -0.33 1.72 3.32 -0.80 -2.43 116.42 118.16 3krk h ASP 453 Ca 0.00 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3krk h ASP 453 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3krk h ASP 453 CO 0.00 0.56 -0.36 1.56 -1.72 0.00 0.00 179.24 179.28 3krk h GLN 454 N 0.81 0.87 -0.62 3.56 4.20 -0.63 -0.00 115.11 123.30 3krk h GLN 454 Ca 0.21 -0.44 0.11 0.00 0.06 0.00 0.00 58.65 58.59 3krk h GLN 454 Cb -0.02 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 3krk h GLN 454 CO -0.04 1.09 0.17 0.77 -0.67 0.00 0.00 178.83 180.15 3krk h SER 455 N 0.72 0.09 -0.41 1.46 0.02 -1.26 0.88 113.55 115.06 3krk h SER 455 Ca 0.07 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3krk h SER 455 Cb 0.94 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3krk h SER 455 CO 0.09 0.05 -0.30 0.03 -1.14 0.00 0.00 176.83 175.55 3krk h ARG 456 N 0.31 0.92 -0.91 3.45 3.08 -1.06 -2.02 114.38 118.15 3krk h ARG 456 Ca 0.32 -0.45 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3krk h ARG 456 Cb 0.46 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 3krk h ARG 456 CO -0.38 1.11 0.60 1.49 -1.07 0.00 0.00 179.97 181.72 3krk h GLU 457 N 0.75 1.19 -0.04 0.04 4.81 -0.50 -1.54 114.58 119.28 3krk h GLU 457 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3krk h GLU 457 Cb 0.89 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3krk h GLU 457 CO 0.08 0.79 0.00 -1.33 -0.73 0.00 0.00 179.01 177.82 3krk n MET 458 N -4.46 1.13 -3.76 1.92 2.81 0.26 -4.92 117.12 110.10 3krk n MET 458 Ca 0.10 -0.20 -0.23 0.00 -1.81 0.00 0.00 57.70 55.56 3krk n MET 458 Cb 0.02 -1.21 0.03 0.00 -0.71 0.00 0.00 33.22 31.35 3krk n MET 458 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3krk n LYS 459 N -0.49 -4.99 -1.81 0.03 4.76 -0.58 -4.79 118.16 110.29 3krk n LYS 459 Ca 0.10 0.61 -0.41 0.00 -2.87 0.00 0.00 58.31 55.73 3krk n LYS 459 Cb 0.09 -5.22 -0.01 0.00 -1.84 0.00 0.00 35.03 28.05 3krk n LYS 459 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3krk s TYR 460 N -3.61 2.67 0.96 2.13 1.51 -0.79 -1.30 117.35 118.92 3krk s TYR 460 Ca 0.14 1.04 -0.12 0.00 -1.01 0.00 0.00 57.07 57.13 3krk s TYR 460 Cb -0.07 -4.02 0.17 0.00 -0.11 0.00 0.00 41.96 37.92 3krk s TYR 460 CO 0.82 -3.14 1.09 -0.65 -1.11 0.00 0.00 175.55 172.55 3krk s GLN 461 N -1.49 0.75 0.85 -0.62 -0.21 -1.26 -4.79 119.66 112.88 3krk s GLN 461 Ca 0.56 0.71 -0.11 0.00 0.02 0.00 0.00 55.36 56.55 3krk s GLN 461 Cb -0.47 -1.76 0.10 0.00 1.00 0.00 0.00 33.01 31.89 3krk s GLN 461 CO 0.57 -2.56 1.09 -1.54 -2.12 0.00 0.00 175.29 170.73 3krk s SER 462 N -3.35 3.83 0.21 5.90 1.04 -1.26 -4.62 113.70 115.45 3krk s SER 462 Ca 0.65 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 58.65 3krk s SER 462 Cb -0.19 -2.36 0.26 0.00 0.10 0.00 0.00 66.02 63.84 3krk s SER 462 CO 0.58 -2.44 1.66 0.25 0.98 0.00 0.00 173.24 174.26 3krk h LEU 463 N -1.41 -0.35 -1.40 2.42 5.85 -1.28 -2.06 115.31 117.08 3krk h LEU 463 Ca -0.47 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3krk h LEU 463 Cb 1.26 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 3krk h LEU 463 CO 0.52 -0.14 -0.22 0.78 -0.34 0.00 0.00 178.44 179.05 3krk h ASN 464 N 0.08 0.11 -0.36 1.25 2.35 -1.85 -0.19 115.58 116.97 3krk h ASN 464 Ca 0.30 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3krk h ASN 464 Cb 0.49 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3krk h ASN 464 CO -0.54 0.34 0.06 -0.33 -1.65 0.00 0.00 177.43 175.31 3krk h GLU 465 N 0.11 0.60 -0.36 0.81 4.39 -1.75 -2.32 114.58 116.06 3krk h GLU 465 Ca 0.02 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 3krk h GLU 465 Cb 0.45 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3krk h GLU 465 CO 0.03 0.66 -0.09 1.88 -1.16 0.00 0.00 179.01 180.34 3krk h TYR 466 N 0.44 0.64 -0.23 4.33 -1.99 -0.77 -1.23 116.97 118.15 3krk h TYR 466 Ca 0.11 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3krk h TYR 466 Cb 0.35 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 3krk h TYR 466 CO 0.02 0.67 0.09 0.00 -0.00 0.00 0.00 178.16 178.94 3krk h ARG 467 N 0.56 0.35 -0.80 4.88 3.08 -0.99 -2.42 114.38 119.05 3krk h ARG 467 Ca 0.10 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3krk h ARG 467 Cb 0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 3krk h ARG 467 CO 0.03 0.41 0.42 0.87 -1.07 0.00 0.00 179.97 180.63 3krk h LYS 468 N 0.22 1.11 -0.06 0.04 1.57 -1.29 0.22 116.57 118.38 3krk h LYS 468 Ca 0.08 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3krk h LYS 468 Cb 0.20 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3krk h LYS 468 CO -0.01 0.83 0.07 -0.09 -0.57 0.00 0.00 179.45 179.68 3krk h ARG 469 N 1.12 0.00 -0.19 3.15 9.65 -1.02 -2.46 114.38 124.64 3krk h ARG 469 Ca 0.28 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.11 3krk h ARG 469 Cb 0.05 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3krk h ARG 469 CO -0.04 0.00 -0.07 1.19 2.80 0.00 0.00 179.97 183.85 3krk n PHE 470 N -3.81 0.63 -3.01 2.20 3.72 -0.65 -4.97 117.46 111.58 3krk n PHE 470 Ca -0.01 -1.15 -0.18 0.00 -0.05 0.00 0.00 57.45 56.05 3krk n PHE 470 Cb 0.17 -0.31 0.04 0.00 -0.94 0.00 0.00 39.48 38.44 3krk n PHE 470 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3krk n SER 471 N -0.98 -5.22 -4.63 4.37 7.64 -0.90 -4.99 113.62 108.92 3krk n SER 471 Ca 0.23 -0.28 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 3krk n SER 471 Cb 0.84 -4.00 -0.09 0.00 -1.01 0.00 0.00 64.21 59.96 3krk n SER 471 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3krk s LEU 472 N -5.49 3.20 0.19 -3.43 1.43 0.69 -4.95 118.68 110.31 3krk s LEU 472 Ca 0.31 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 3krk s LEU 472 Cb -0.13 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 3krk s LEU 472 CO 0.38 0.14 1.20 -0.75 0.23 0.00 0.00 176.35 177.55 3krk s LYS 473 N -2.55 4.48 0.46 1.70 2.20 -1.26 -3.49 119.74 121.29 3krk s LYS 473 Ca 0.25 1.89 -0.24 0.00 -0.36 0.00 0.00 55.97 57.50 3krk s LYS 473 Cb -0.10 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 3krk s LYS 473 CO 0.16 -0.10 1.32 -2.14 -0.36 0.00 0.00 175.35 174.23 3krk s PRO 474 N -0.25 3.66 0.31 4.03 0.02 -1.26 -4.89 135.00 136.63 3krk s PRO 474 Ca 0.53 2.16 -0.29 0.00 0.02 0.00 0.00 61.00 63.43 3krk s PRO 474 Cb -0.33 -2.55 -0.10 0.00 0.02 0.00 0.00 34.50 31.55 3krk s PRO 474 CO 0.37 -0.75 1.20 0.71 -0.33 0.00 0.00 177.00 178.20 3krk s TYR 475 N -1.31 3.30 -1.57 6.54 2.02 -1.26 -4.95 117.35 120.12 3krk s TYR 475 Ca 0.63 1.56 0.22 0.00 -0.37 0.00 0.00 57.07 59.11 3krk s TYR 475 Cb -0.38 -3.47 -0.02 0.00 -0.40 0.00 0.00 41.96 37.69 3krk s TYR 475 CO 0.48 -1.18 1.06 0.25 -1.57 0.00 0.00 175.55 174.58 3krk n THR 476 N 0.92 0.00 -3.46 -0.71 -2.24 -1.26 -4.82 114.28 102.71 3krk n THR 476 Ca -0.00 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 3krk n THR 476 Cb 0.44 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3krk n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3krk s SER 477 N -2.71 -0.48 0.37 3.42 1.04 -1.26 -4.94 113.70 109.14 3krk s SER 477 Ca 0.14 0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.69 3krk s SER 477 Cb 0.17 0.50 0.73 0.00 0.10 0.00 0.00 66.02 67.53 3krk s SER 477 CO 0.69 -0.80 1.86 -0.26 0.98 0.00 0.00 173.24 175.71 3krk h PHE 478 N 2.02 0.14 -0.55 5.02 0.04 -1.94 -2.85 116.94 118.82 3krk h PHE 478 Ca -0.28 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 3krk h PHE 478 Cb 1.28 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 3krk h PHE 478 CO 0.24 0.39 0.05 0.93 -0.60 0.00 0.00 178.31 179.33 3krk h GLU 479 N 0.12 0.91 -0.05 1.51 5.08 -1.86 -1.95 114.58 118.34 3krk h GLU 479 Ca 0.02 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 3krk h GLU 479 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3krk h GLU 479 CO 0.04 0.87 -0.42 1.49 -1.00 0.00 0.00 179.01 179.99 3krk h GLU 480 N 0.85 0.10 -0.04 2.33 4.81 -1.83 0.22 114.58 121.03 3krk h GLU 480 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3krk h GLU 480 Cb 0.43 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3krk h GLU 480 CO 0.01 0.51 -0.02 1.25 -0.73 0.00 0.00 179.01 180.03 3krk h LEU 481 N 0.09 0.09 0.00 1.64 5.85 -1.26 -3.35 115.31 118.37 3krk h LEU 481 Ca 0.01 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 3krk h LEU 481 Cb 0.78 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3krk h LEU 481 CO 0.06 0.50 -1.14 0.71 -0.34 0.00 0.00 178.44 178.22 3krk h THR 482 N -0.32 0.40 -1.64 1.05 1.35 -1.32 0.18 112.91 112.61 3krk h THR 482 Ca 0.01 -1.74 -0.24 0.00 -0.55 0.00 0.00 66.41 63.89 3krk h THR 482 Cb 0.46 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3krk h THR 482 CO 0.01 0.23 -0.30 0.61 -0.25 0.00 0.00 175.52 175.81 3krk n GLY 483 N 1.31 -0.05 3.74 5.82 0.00 0.76 -3.61 105.19 113.17 3krk n GLY 483 Ca -0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3krk n GLY 483 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3krk s GLU 484 N -4.51 1.51 -0.17 1.61 -6.30 -1.22 -5.06 118.70 104.56 3krk s GLU 484 Ca 0.00 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 3krk s GLU 484 Cb 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 34.13 34.57 3krk s GLU 484 CO 0.00 -0.69 -0.16 1.63 0.02 0.00 0.00 175.26 176.07 3krk n LYS 485 N -0.44 0.42 0.02 4.30 5.02 -1.26 -4.41 118.16 121.81 3krk n LYS 485 Ca -0.07 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 3krk n LYS 485 Cb 0.61 -1.31 -0.08 0.00 -0.02 0.00 0.00 35.03 34.22 3krk n LYS 485 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3krk h GLU 486 N -0.08 0.01 -0.09 1.97 4.81 -2.00 -2.14 114.58 117.06 3krk h GLU 486 Ca -0.39 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.66 3krk h GLU 486 Cb 1.56 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.94 3krk h GLU 486 CO -0.09 0.19 -0.72 0.52 -0.73 0.00 0.00 179.01 178.19 3krk h MET 487 N -0.18 0.42 -0.60 1.92 2.86 -1.96 -3.05 114.93 114.34 3krk h MET 487 Ca 0.00 -0.34 0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3krk h MET 487 Cb 0.19 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3krk h MET 487 CO -0.00 0.97 0.29 0.00 1.06 0.00 0.00 176.91 179.24 3krk h ALA 488 N 0.93 0.80 -0.22 6.32 0.00 -1.74 -0.75 119.26 124.59 3krk h ALA 488 Ca -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3krk h ALA 488 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3krk h ALA 488 CO 0.12 -0.07 -0.53 0.00 0.00 0.00 0.00 179.25 178.78 3krk h ALA 489 N 1.35 0.67 -0.57 0.00 0.00 -1.38 -0.87 119.26 118.47 3krk h ALA 489 Ca 0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3krk h ALA 489 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3krk h ALA 489 CO -0.22 0.68 0.21 0.93 0.00 0.00 0.00 179.25 180.86 3krk h GLU 490 N 0.49 0.86 -0.68 0.00 5.08 -1.38 -2.01 114.58 116.94 3krk h GLU 490 Ca 0.02 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3krk h GLU 490 Cb 1.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3krk h GLU 490 CO 0.10 0.75 0.23 -0.07 -1.00 0.00 0.00 179.01 179.03 3krk h LEU 491 N 0.79 0.98 -1.04 1.33 3.38 -0.96 -2.15 115.31 117.63 3krk h LEU 491 Ca 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3krk h LEU 491 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3krk h LEU 491 CO -0.01 0.92 0.28 0.50 0.09 0.00 0.00 178.44 180.22 3krk h LYS 492 N 0.99 0.96 -0.27 1.13 1.63 -1.00 0.28 116.57 120.30 3krk h LYS 492 Ca 0.22 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.75 3krk h LYS 492 Cb 0.27 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3krk h LYS 492 CO -0.01 0.77 -0.37 0.00 -3.45 0.00 0.00 179.45 176.39 3krk h ALA 493 N 1.36 0.86 -0.01 5.00 0.00 -1.18 0.63 119.26 125.92 3krk h ALA 493 Ca 0.23 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3krk h ALA 493 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3krk h ALA 493 CO -0.02 0.64 -0.14 -0.07 0.00 0.00 0.00 179.25 179.66 3krk h LEU 494 N 0.50 0.14 0.00 0.00 3.38 -0.77 -3.39 115.31 115.17 3krk h LEU 494 Ca 0.05 -0.74 -0.11 0.00 0.09 0.00 0.00 57.88 57.18 3krk h LEU 494 Cb 0.87 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3krk h LEU 494 CO 0.07 0.85 -1.83 -1.22 0.09 0.00 0.00 178.44 176.40 3krk n TYR 495 N -4.61 0.32 0.00 1.13 4.02 0.94 -4.45 117.16 114.50 3krk n TYR 495 Ca -0.09 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3krk n TYR 495 Cb 0.43 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3krk n TYR 495 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3krk n SER 496 N -2.54 0.00 -4.12 7.72 7.64 0.21 -4.77 113.62 117.77 3krk n SER 496 Ca -0.11 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.49 3krk n SER 496 Cb 0.74 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.77 3krk n SER 496 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3krk s ASP 497 N 0.00 2.42 0.51 6.43 -1.08 -1.26 -4.98 116.67 118.72 3krk s ASP 497 Ca 0.00 -0.43 0.16 0.00 -0.52 0.00 0.00 52.55 51.76 3krk s ASP 497 Cb 0.00 -1.11 1.25 0.00 -1.46 0.00 0.00 42.92 41.60 3krk s ASP 497 CO 0.00 0.09 2.14 -0.29 0.52 0.00 0.00 175.17 177.63 3krk h ILE 498 N 5.84 1.01 0.00 4.11 6.09 -1.92 -1.99 117.51 130.65 3krk h ILE 498 Ca -0.25 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3krk h ILE 498 Cb 1.21 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.53 3krk h ILE 498 CO 0.47 0.01 0.00 0.47 -3.07 0.00 0.00 178.15 176.04 3krk n ASP 499 N -4.52 0.00 -0.17 2.19 8.00 -1.26 -2.49 116.55 118.30 3krk n ASP 499 Ca -0.03 -0.79 0.02 0.00 0.71 0.00 0.00 54.79 54.70 3krk n ASP 499 Cb 0.10 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3krk n ASP 499 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3krk n VAL 500 N -1.01 0.42 -1.67 2.53 0.24 -0.75 -4.80 118.33 113.30 3krk n VAL 500 Ca 0.19 -0.71 -0.45 0.00 -2.04 0.00 0.00 64.34 61.33 3krk n VAL 500 Cb 0.09 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 3krk n VAL 500 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3krk n MET 501 N 0.05 2.04 -2.34 7.34 0.00 -1.04 -4.88 117.12 118.29 3krk n MET 501 Ca 0.03 0.73 -0.30 0.00 0.00 0.00 0.00 57.70 58.16 3krk n MET 501 Cb 0.18 -2.38 -0.01 0.00 0.00 0.00 0.00 33.22 31.02 3krk n MET 501 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3krk s GLU 502 N -0.46 3.67 -0.04 2.12 2.02 -1.26 -0.99 118.70 123.76 3krk s GLU 502 Ca 0.68 0.57 -0.24 0.00 0.02 0.00 0.00 54.97 56.00 3krk s GLU 502 Cb -0.64 -2.23 -0.18 0.00 0.10 0.00 0.00 34.13 31.17 3krk s GLU 502 CO 0.50 -0.33 1.09 1.25 0.02 0.00 0.00 175.26 177.79 3krk h LEU 503 N 0.30 -0.12 -0.00 1.80 5.85 -1.87 -3.11 115.31 118.16 3krk h LEU 503 Ca -0.46 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 57.84 3krk h LEU 503 Cb 1.19 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3krk h LEU 503 CO 0.62 0.41 0.00 0.22 -0.34 0.00 0.00 178.44 179.35 3krk h TYR 504 N -0.69 0.00 -0.92 1.25 3.20 -1.94 -2.28 116.97 115.59 3krk h TYR 504 Ca -0.01 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3krk h TYR 504 Cb 0.53 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 3krk h TYR 504 CO 0.09 0.22 0.60 -1.35 -1.64 0.00 0.00 178.16 176.08 3krk h PRO 505 N -0.22 0.99 -0.89 1.82 0.11 -1.98 -2.73 132.00 129.10 3krk h PRO 505 Ca 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3krk h PRO 505 Cb 0.22 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3krk h PRO 505 CO -0.00 0.65 0.49 0.00 -0.21 0.00 0.00 178.00 178.93 3krk h ALA 506 N 1.51 1.19 -0.59 -0.75 0.00 -1.40 -2.13 119.26 117.09 3krk h ALA 506 Ca 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3krk h ALA 506 Cb 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3krk h ALA 506 CO -0.16 0.66 0.22 -0.07 0.00 0.00 0.00 179.25 179.90 3krk h LEU 507 N 1.24 0.80 0.00 0.00 3.38 -1.11 0.15 115.31 119.77 3krk h LEU 507 Ca 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3krk h LEU 507 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3krk h LEU 507 CO -0.05 0.73 -0.08 -0.07 0.09 0.00 0.00 178.44 179.06 3krk h LEU 508 N 0.85 0.00 0.00 1.67 3.38 -1.30 -3.31 115.31 116.61 3krk h LEU 508 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3krk h LEU 508 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3krk h LEU 508 CO -0.02 0.01 -0.64 1.33 0.09 0.00 0.00 178.44 179.21 3krk n VAL 509 N -2.49 0.00 -1.74 1.22 0.24 -0.86 0.11 118.33 114.81 3krk n VAL 509 Ca 0.05 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 3krk n VAL 509 Cb 0.46 0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 33.73 3krk n VAL 509 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3krk n GLU 510 N -1.34 2.41 -1.68 7.34 2.13 0.50 -4.01 120.64 125.99 3krk n GLU 510 Ca 0.01 0.84 -0.50 0.00 0.66 0.00 0.00 57.16 58.18 3krk n GLU 510 Cb 0.18 -2.51 -0.05 0.00 0.27 0.00 0.00 31.44 29.33 3krk n GLU 510 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3krk n LYS 511 N 0.45 1.92 -1.57 5.31 4.81 0.64 -1.74 118.16 127.97 3krk n LYS 511 Ca 0.03 0.69 -0.30 0.00 -0.87 0.00 0.00 58.31 57.86 3krk n LYS 511 Cb 0.38 -2.54 0.08 0.00 0.02 0.00 0.00 35.03 32.97 3krk n LYS 511 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3krk s PRO 512 N 4.16 2.31 0.78 1.64 0.02 -1.26 -4.34 135.00 138.30 3krk s PRO 512 Ca 0.95 0.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 3krk s PRO 512 Cb -0.77 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 31.87 3krk s PRO 512 CO 0.54 -1.48 1.11 1.03 -0.33 0.00 0.00 177.00 177.88 3krk s ARG 513 N -5.14 2.10 -0.29 5.54 3.00 -0.87 -4.88 118.95 118.42 3krk s ARG 513 Ca 0.60 1.33 -0.39 0.00 0.00 0.00 0.00 55.73 57.27 3krk s ARG 513 Cb -0.14 -1.87 -0.15 0.00 0.00 0.00 0.00 34.95 32.79 3krk s ARG 513 CO 0.54 -1.78 1.86 -2.30 0.00 0.00 0.00 175.30 173.62 3krk n PRO 514 N -3.41 1.19 -3.33 3.54 -0.02 -1.26 -1.05 135.00 130.67 3krk n PRO 514 Ca 0.10 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 3krk n PRO 514 Cb 0.52 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3krk n PRO 514 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3krk n ASP 515 N 6.43 -4.28 -4.51 2.55 8.00 -1.26 -4.97 116.55 118.51 3krk n ASP 515 Ca 0.30 -0.39 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 3krk n ASP 515 Cb 0.15 -3.51 -0.09 0.00 -0.02 0.00 0.00 41.12 37.65 3krk n ASP 515 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3krk s ALA 516 N -3.01 2.84 0.18 2.24 0.00 -0.21 -3.75 121.76 120.06 3krk s ALA 516 Ca 0.40 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.57 3krk s ALA 516 Cb -0.20 -0.39 0.07 0.00 0.00 0.00 0.00 23.12 22.60 3krk s ALA 516 CO 0.49 0.28 1.43 0.97 0.00 0.00 0.00 175.76 178.94 3krk h ILE 517 N 2.22 1.45 -2.81 0.00 2.10 -1.91 -3.42 117.51 115.14 3krk h ILE 517 Ca -0.41 -2.39 -0.63 0.00 1.08 0.00 0.00 64.86 62.51 3krk h ILE 517 Cb 1.25 2.30 -0.16 0.00 -1.09 0.00 0.00 36.82 39.13 3krk h ILE 517 CO 0.60 0.70 -0.78 -0.36 -1.08 0.00 0.00 178.15 177.23 3krk s PHE 518 N -3.40 2.37 0.83 2.19 0.08 -1.26 -1.60 117.98 117.19 3krk s PHE 518 Ca -0.03 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 3krk s PHE 518 Cb 0.11 -1.12 0.17 0.00 -0.57 0.00 0.00 43.02 41.61 3krk s PHE 518 CO 0.82 0.58 1.14 0.20 -0.10 0.00 0.00 175.22 177.86 3krk s GLY 519 N -3.01 1.77 0.19 4.36 0.00 -1.26 -2.04 107.32 107.33 3krk s GLY 519 Ca 0.25 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 3krk s GLY 519 CO 0.13 -0.97 1.84 -2.09 0.00 0.00 0.00 173.10 172.02 3krk h GLU 520 N -1.01 0.85 -0.54 2.90 4.81 -1.94 -3.11 114.58 116.53 3krk h GLU 520 Ca -0.38 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 3krk h GLU 520 Cb 1.24 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3krk h GLU 520 CO 0.36 0.58 0.05 1.15 -0.73 0.00 0.00 179.01 180.42 3krk h THR 521 N 0.86 1.25 -0.46 0.32 2.02 -1.95 -1.79 112.91 113.16 3krk h THR 521 Ca 0.23 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3krk h THR 521 Cb -0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3krk h THR 521 CO -0.05 0.36 0.23 -0.03 0.37 0.00 0.00 175.52 176.40 3krk h MET 522 N 0.83 0.66 -0.13 6.66 1.85 -1.91 -1.94 114.93 120.95 3krk h MET 522 Ca 0.17 -0.09 -0.21 0.00 -0.61 0.00 0.00 59.70 58.96 3krk h MET 522 Cb 0.42 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.34 3krk h MET 522 CO 0.01 0.54 -0.76 0.28 -0.40 0.00 0.00 176.91 176.59 3krk h VAL 523 N 0.61 1.31 0.00 -5.77 2.07 -1.50 0.76 116.25 113.72 3krk h VAL 523 Ca 0.16 -2.02 -0.05 0.00 0.82 0.00 0.00 66.70 65.60 3krk h VAL 523 Cb 0.09 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3krk h VAL 523 CO -0.02 0.63 -0.39 -0.33 0.02 0.00 0.00 177.57 177.48 3krk h GLU 524 N 0.46 0.00 0.11 1.57 4.39 -1.30 -1.41 114.58 118.40 3krk h GLU 524 Ca -0.05 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.32 3krk h GLU 524 Cb 1.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 3krk h GLU 524 CO 0.15 0.22 -1.81 -0.07 -1.16 0.00 0.00 179.01 176.35 3krk h LEU 525 N 0.00 0.36 -0.48 1.33 4.07 -1.42 -3.41 115.31 115.76 3krk h LEU 525 Ca -0.01 -0.87 -0.10 0.00 0.08 0.00 0.00 57.88 56.98 3krk h LEU 525 Cb 1.20 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3krk h LEU 525 CO 0.03 1.78 -0.08 1.23 -1.08 0.00 0.00 178.44 180.31 3krk h GLY 526 N 0.62 0.98 0.84 0.83 0.00 -0.84 -3.26 103.07 102.24 3krk h GLY 526 Ca -0.40 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 3krk h GLY 526 CO 0.04 0.72 0.04 0.00 0.00 0.00 0.00 176.54 177.34 3krk h ALA 527 N 0.90 0.22 -0.30 3.60 0.00 -1.46 -1.89 119.26 120.33 3krk h ALA 527 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3krk h ALA 527 Cb 0.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3krk h ALA 527 CO 0.04 -0.14 0.13 -1.35 0.00 0.00 0.00 179.25 177.93 3krk h PRO 528 N 0.08 0.27 -0.37 0.00 0.11 -1.79 -1.26 132.00 129.04 3krk h PRO 528 Ca 0.05 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.20 3krk h PRO 528 Cb 0.26 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3krk h PRO 528 CO 0.00 0.18 0.25 0.74 -0.21 0.00 0.00 178.00 178.97 3krk h PHE 529 N 0.28 0.28 0.05 0.65 0.04 -1.58 -2.51 116.94 114.16 3krk h PHE 529 Ca 0.13 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3krk h PHE 529 Cb 0.06 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3krk h PHE 529 CO -0.11 0.15 -0.03 0.77 -0.60 0.00 0.00 178.31 178.50 3krk h SER 530 N 0.28 -0.06 0.32 2.17 0.02 -0.54 -2.80 113.55 112.94 3krk h SER 530 Ca 0.16 -0.57 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 3krk h SER 530 Cb 0.29 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3krk h SER 530 CO -0.03 0.66 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.74 3krk h PHE 531 N -0.91 0.00 -0.49 3.45 0.04 -1.26 -1.64 116.94 116.13 3krk h PHE 531 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3krk h PHE 531 Cb 0.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3krk h PHE 531 CO 0.15 0.32 0.14 -0.22 -0.60 0.00 0.00 178.31 178.10 3krk h LYS 532 N 0.00 0.78 -0.04 1.51 3.11 -1.55 -1.03 116.57 119.35 3krk h LYS 532 Ca -0.00 -0.18 -0.11 0.00 -2.81 0.00 0.00 60.65 57.55 3krk h LYS 532 Cb 0.57 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 3krk h LYS 532 CO 0.04 0.74 -0.47 0.78 -2.81 0.00 0.00 179.45 177.73 3krk h GLY 533 N 0.67 0.10 0.00 5.01 0.00 -1.15 -1.47 103.07 106.23 3krk h GLY 533 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3krk h GLY 533 CO -0.00 0.09 -0.20 1.41 0.00 0.00 0.00 176.54 177.84 3krk h LEU 534 N 0.07 0.00 -1.16 3.11 3.38 -1.22 -3.38 115.31 116.12 3krk h LEU 534 Ca 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3krk h LEU 534 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3krk h LEU 534 CO 0.07 0.64 -0.26 0.24 0.09 0.00 0.00 178.44 179.21 3krk h MET 535 N -1.00 0.00 -1.11 1.13 2.86 -1.34 -3.10 114.93 112.37 3krk h MET 535 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 3krk h MET 535 Cb 0.25 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.82 3krk h MET 535 CO -0.01 0.26 0.21 0.41 1.06 0.00 0.00 176.91 178.85 3krk n GLY 536 N 0.06 2.88 3.87 8.32 0.00 -0.55 -4.67 105.19 115.10 3krk n GLY 536 Ca -0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3krk n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3krk s ASN 537 N 0.38 6.46 0.60 1.61 3.84 -1.18 -3.06 114.94 123.59 3krk s ASN 537 Ca 0.18 0.55 0.30 0.00 0.21 0.00 0.00 52.86 54.10 3krk s ASN 537 Cb 0.15 -2.10 1.68 0.00 -0.55 0.00 0.00 41.25 40.43 3krk s ASN 537 CO 0.03 0.40 2.08 1.55 -2.79 0.00 0.00 177.10 178.37 3krk h PRO 538 N 4.94 0.00 0.00 0.43 0.13 -1.88 -0.73 132.00 134.88 3krk h PRO 538 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3krk h PRO 538 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3krk h PRO 538 CO 0.59 0.00 0.00 -0.84 -0.23 0.00 0.00 178.00 177.52 3krk h ILE 539 N 0.00 0.00 0.00 -3.56 3.07 -1.94 -2.36 117.51 112.72 3krk h ILE 539 Ca 0.09 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3krk h ILE 539 Cb 0.54 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3krk h ILE 539 CO -0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 178.15 176.76 3krk s SER 541 N -3.23 6.12 0.43 0.00 1.04 -0.89 -4.79 113.70 112.38 3krk s SER 541 Ca 0.11 2.09 0.17 0.00 0.48 0.00 0.00 55.95 58.80 3krk s SER 541 Cb 0.17 -2.58 1.07 0.00 0.10 0.00 0.00 66.02 64.79 3krk s SER 541 CO 0.65 -0.94 1.89 1.55 0.98 0.00 0.00 173.24 177.36 3krk h PRO 542 N 1.58 0.39 0.00 4.02 0.13 -1.90 -0.72 132.00 135.49 3krk h PRO 542 Ca -0.50 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3krk h PRO 542 Cb 1.24 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3krk h PRO 542 CO 0.59 0.26 -0.05 1.96 -0.23 0.00 0.00 178.00 180.52 3krk h GLN 543 N 0.40 0.00 0.01 0.86 1.08 -1.92 -3.27 115.11 112.27 3krk h GLN 543 Ca 0.41 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.27 3krk h GLN 543 Cb 1.01 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.38 3krk h GLN 543 CO -0.14 0.05 -2.11 0.66 -0.95 0.00 0.00 178.83 176.34 3krk n TYR 544 N -3.12 0.47 -1.57 2.96 4.02 -0.57 -4.72 117.16 114.63 3krk n TYR 544 Ca 0.03 0.16 -0.41 0.00 -0.01 0.00 0.00 57.90 57.66 3krk n TYR 544 Cb 0.48 -1.08 -0.01 0.00 -0.02 0.00 0.00 39.34 38.70 3krk n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3krk n TRP 545 N -2.97 3.12 -3.95 -0.72 -0.00 -0.38 -4.60 117.44 107.94 3krk n TRP 545 Ca -0.28 -2.82 -0.10 0.00 -0.00 0.00 0.00 57.50 54.30 3krk n TRP 545 Cb 1.09 -2.42 -0.12 0.00 -0.00 0.00 0.00 31.31 29.86 3krk n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3krk s LYS 546 N 3.30 0.23 0.40 5.87 1.02 -1.26 -4.98 119.74 124.32 3krk s LYS 546 Ca 0.51 -0.43 0.19 0.00 0.02 0.00 0.00 55.97 56.26 3krk s LYS 546 Cb 0.14 0.06 1.13 0.00 -0.52 0.00 0.00 37.83 38.65 3krk s LYS 546 CO -0.06 -0.03 1.76 -1.35 -0.92 0.00 0.00 175.35 174.75 3krk h PRO 547 N 5.09 0.36 0.00 -1.68 0.11 -1.87 -1.90 132.00 132.11 3krk h PRO 547 Ca -0.30 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3krk h PRO 547 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3krk h PRO 547 CO 0.44 0.24 -0.22 0.66 -0.21 0.00 0.00 178.00 178.91 3krk h SER 548 N 0.37 0.00 0.12 -2.05 4.64 -1.93 0.11 113.55 114.80 3krk h SER 548 Ca 0.61 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.91 3krk h SER 548 Cb 1.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3krk h SER 548 CO -0.31 0.22 -0.10 0.74 -0.87 0.00 0.00 176.83 176.51 3krk h THR 549 N 0.00 1.00 -0.20 2.95 2.02 -1.59 -3.00 112.91 114.08 3krk h THR 549 Ca -0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3krk h THR 549 Cb 0.81 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3krk h THR 549 CO 0.03 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.51 3krk n PHE 550 N -4.31 0.73 -1.32 3.16 3.72 -0.93 -4.91 117.46 113.61 3krk n PHE 550 Ca -0.03 -0.91 -0.01 0.00 -0.05 0.00 0.00 57.45 56.46 3krk n PHE 550 Cb 0.18 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 3krk n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3krk n GLY 551 N -0.72 0.42 0.00 1.37 0.00 -1.13 -4.12 105.19 101.00 3krk n GLY 551 Ca 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3krk n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krk n GLY 552 N -2.34 -0.36 0.25 -0.02 0.00 0.32 -4.65 105.19 98.40 3krk n GLY 552 Ca -0.01 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 3krk n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krk h GLU 553 N 6.48 0.59 -0.03 1.61 4.39 -1.91 -2.49 114.58 123.21 3krk h GLU 553 Ca 0.00 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.48 3krk h GLU 553 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3krk h GLU 553 CO 0.00 0.77 -0.01 0.28 -1.16 0.00 0.00 179.01 178.89 3krk h VAL 554 N 0.52 0.96 -0.52 3.13 2.07 -1.92 -0.81 116.25 119.67 3krk h VAL 554 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3krk h VAL 554 Cb 0.68 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3krk h VAL 554 CO 0.05 0.00 0.23 1.23 0.02 0.00 0.00 177.57 179.10 3krk h GLY 555 N -0.01 0.82 0.85 2.17 0.00 -1.69 -2.35 103.07 102.86 3krk h GLY 555 Ca 0.02 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3krk h GLY 555 CO -0.04 0.40 0.42 -2.75 0.00 0.00 0.00 176.54 174.57 3krk h PHE 556 N 0.70 0.79 -0.26 5.60 3.57 -1.39 -2.67 116.94 123.27 3krk h PHE 556 Ca 0.18 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3krk h PHE 556 Cb 0.15 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3krk h PHE 556 CO -0.00 0.44 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.28 3krk h LYS 557 N 0.82 0.39 -0.64 1.11 3.64 -0.84 -2.23 116.57 118.82 3krk h LYS 557 Ca 0.28 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3krk h LYS 557 Cb 0.04 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3krk h LYS 557 CO -0.11 0.43 0.29 0.82 -2.27 0.00 0.00 179.45 178.60 3krk h ILE 558 N 0.37 0.83 0.19 2.00 2.04 -1.07 -1.65 117.51 120.22 3krk h ILE 558 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3krk h ILE 558 Cb 0.28 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3krk h ILE 558 CO 0.01 0.09 -0.09 0.40 0.00 0.00 0.00 178.15 178.56 3krk h ILE 559 N 0.51 0.88 0.00 -0.67 2.04 -1.39 -2.73 117.51 116.14 3krk h ILE 559 Ca 0.31 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3krk h ILE 559 Cb 0.34 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3krk h ILE 559 CO -0.27 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.54 3krk n ASN 560 N -5.13 0.00 -0.18 1.72 5.03 -0.94 -2.41 115.26 113.35 3krk n ASN 560 Ca -0.09 0.09 0.02 0.00 0.87 0.00 0.00 54.58 55.47 3krk n ASN 560 Cb 0.17 -0.34 0.03 0.00 -1.02 0.00 0.00 39.78 38.62 3krk n ASN 560 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3krk n THR 561 N -1.34 0.58 -2.16 3.41 -2.24 -0.65 -5.05 114.28 106.83 3krk n THR 561 Ca 0.10 -0.79 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 3krk n THR 561 Cb 0.21 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 3krk n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krk s ALA 562 N -0.71 3.30 0.18 6.98 0.00 -1.01 -4.98 121.76 125.52 3krk s ALA 562 Ca 0.06 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 3krk s ALA 562 Cb 0.03 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3krk s ALA 562 CO 0.05 -0.66 0.41 -1.54 0.00 0.00 0.00 175.76 174.02 3krk s SER 563 N -0.79 -0.12 0.23 0.00 1.04 -1.26 -4.57 113.70 108.23 3krk s SER 563 Ca 0.54 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 3krk s SER 563 Cb -0.36 0.51 0.20 0.00 0.10 0.00 0.00 66.02 66.47 3krk s SER 563 CO 0.47 -0.97 1.81 -0.29 0.98 0.00 0.00 173.24 175.23 3krk h ILE 564 N 2.36 1.26 -0.74 -1.02 6.09 -1.96 -1.13 117.51 122.37 3krk h ILE 564 Ca -0.30 -0.77 -0.01 0.00 -1.37 0.00 0.00 64.86 62.41 3krk h ILE 564 Cb 1.25 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.75 3krk h ILE 564 CO 0.43 0.32 0.44 -0.61 -3.07 0.00 0.00 178.15 175.66 3krk h GLN 565 N 1.17 1.02 -0.01 2.19 5.75 -1.97 -2.30 115.11 120.95 3krk h GLN 565 Ca 0.27 -0.10 -0.23 0.00 -0.15 0.00 0.00 58.65 58.44 3krk h GLN 565 Cb 0.17 -0.21 0.01 0.00 1.07 0.00 0.00 27.48 28.51 3krk h GLN 565 CO -0.03 0.73 -0.94 0.66 -2.65 0.00 0.00 178.83 176.60 3krk h SER 566 N 1.02 0.64 -0.65 -0.69 4.64 -1.87 0.36 113.55 116.99 3krk h SER 566 Ca 0.27 -0.50 0.09 0.00 -0.47 0.00 0.00 61.79 61.18 3krk h SER 566 Cb -0.02 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.81 3krk h SER 566 CO -0.05 1.29 0.28 0.25 -0.87 0.00 0.00 176.83 177.74 3krk h LEU 567 N 0.29 0.33 0.01 5.97 5.85 -1.15 -0.54 115.31 126.06 3krk h LEU 567 Ca -0.09 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 3krk h LEU 567 Cb 1.58 0.02 0.02 0.00 0.37 0.00 0.00 40.66 42.65 3krk h LEU 567 CO 0.17 0.19 -0.85 0.40 -0.34 0.00 0.00 178.44 178.01 3krk h ILE 568 N 0.49 1.35 -0.77 4.05 5.03 -1.19 -3.07 117.51 123.40 3krk h ILE 568 Ca 0.33 -2.18 0.01 0.00 -0.12 0.00 0.00 64.86 62.90 3krk h ILE 568 Cb 0.38 2.50 -0.04 0.00 -3.03 0.00 0.00 36.82 36.63 3krk h ILE 568 CO -0.29 0.66 0.50 0.00 -0.68 0.00 0.00 178.15 178.34 3krk h ASN 570 N 1.02 0.00 0.00 0.00 2.35 -1.19 -3.37 115.58 114.38 3krk h ASN 570 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3krk h ASN 570 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3krk h ASN 570 CO -0.07 0.22 0.00 0.59 -1.65 0.00 0.00 177.43 176.52 3krk n ASN 571 N -3.28 0.53 -4.06 5.81 3.02 -1.04 -4.98 115.26 111.27 3krk n ASN 571 Ca 0.01 -0.77 -0.30 0.00 -0.03 0.00 0.00 54.58 53.49 3krk n ASN 571 Cb 0.49 0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 39.93 3krk n ASN 571 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3krk s VAL 572 N -0.43 1.66 0.14 2.41 1.01 -0.04 -4.94 120.40 120.21 3krk s VAL 572 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 60.93 3krk s VAL 572 Cb 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 36.38 34.69 3krk s VAL 572 CO 0.00 0.47 1.27 1.17 0.00 0.00 0.00 175.10 178.01 3krk n LYS 573 N 4.54 1.24 0.00 2.72 4.81 -1.26 -1.45 118.16 128.75 3krk n LYS 573 Ca -0.18 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3krk n LYS 573 Cb 0.50 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3krk n LYS 573 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3krk n GLY 574 N 2.30 1.81 3.58 3.14 0.00 -1.26 -4.46 105.19 110.29 3krk n GLY 574 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3krk n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krk s PRO 576 N -5.13 2.91 0.22 0.00 0.04 -1.26 -4.90 135.00 126.87 3krk s PRO 576 Ca 0.27 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3krk s PRO 576 Cb -0.10 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3krk s PRO 576 CO 0.85 -1.24 1.18 -0.06 0.04 0.00 0.00 177.00 177.77 3krk s PHE 577 N -1.70 3.44 0.12 0.56 0.40 -1.26 -4.63 117.98 114.91 3krk s PHE 577 Ca 0.76 1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 58.52 3krk s PHE 577 Cb -0.29 -3.41 -0.02 0.00 0.51 0.00 0.00 43.02 39.81 3krk s PHE 577 CO 0.34 -1.08 0.17 -0.08 0.70 0.00 0.00 175.22 175.27 3krk s THR 578 N -0.39 0.11 0.12 0.64 -1.32 -1.26 -4.81 115.64 108.73 3krk s THR 578 Ca 0.50 -1.49 -0.12 0.00 -1.21 0.00 0.00 61.69 59.37 3krk s THR 578 Cb -0.33 -1.71 0.04 0.00 -1.51 0.00 0.00 72.50 69.00 3krk s THR 578 CO 0.39 -0.52 0.60 -1.54 -2.21 0.00 0.00 174.62 171.34 3krk n SER 579 N -0.11 -1.05 -0.43 8.08 3.41 -1.26 -4.61 113.62 117.65 3krk n SER 579 Ca -0.10 -1.57 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 3krk n SER 579 Cb 0.63 1.71 0.32 0.00 -0.26 0.00 0.00 64.21 66.60 3krk n SER 579 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3krk n PHE 580 N -0.42 0.00 -4.39 7.33 3.72 -1.26 -4.69 117.46 117.75 3krk n PHE 580 Ca -0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 3krk n PHE 580 Cb 0.34 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 3krk n PHE 580 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3krk s ASN 581 N -2.30 3.58 0.25 4.37 4.22 -1.26 -1.84 114.94 121.96 3krk s ASN 581 Ca 0.27 -0.79 -0.01 0.00 -2.14 0.00 0.00 52.86 50.20 3krk s ASN 581 Cb 0.20 -0.34 0.30 0.00 1.28 0.00 0.00 41.25 42.68 3krk s ASN 581 CO 0.45 0.13 1.67 -0.37 -2.04 0.00 0.00 177.10 176.94 3krk h VAL 582 N 3.23 1.27 0.00 3.54 -1.51 -0.69 -3.45 116.25 118.63 3krk h VAL 582 Ca -0.47 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 3krk h VAL 582 Cb 1.20 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 3krk h VAL 582 CO 0.48 0.43 0.00 1.67 -1.23 0.00 0.00 177.57 178.92