#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krk s HIS 34 N 0.00 2.62 0.07 -1.40 5.04 -1.26 -4.84 115.29 115.52 3krk s HIS 34 Ca 0.00 0.21 0.31 0.00 -1.54 0.00 0.00 55.06 54.04 3krk s HIS 34 Cb 0.00 -4.15 1.56 0.00 0.04 0.00 0.00 32.58 30.03 3krk s HIS 34 CO 0.00 -4.52 1.95 -1.35 -2.34 0.00 0.00 174.74 168.49 3krk h PRO 35 N 7.49 0.00 -0.34 2.88 0.11 -1.88 -2.19 132.00 138.08 3krk h PRO 35 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3krk h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3krk h PRO 35 CO 0.95 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 3krk n SER 38 N -4.57 0.00 -3.44 0.00 3.41 -1.26 -4.02 113.62 103.74 3krk n SER 38 Ca 0.18 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.65 3krk n SER 38 Cb 0.49 -0.33 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.33 -6.12 0.15 4.04 3.02 -0.60 -4.90 115.26 109.52 3krk n ASN 39 Ca 0.09 -0.82 0.04 0.00 -0.03 0.00 0.00 54.58 53.86 3krk n ASN 39 Cb 0.19 -4.36 0.10 0.00 -0.61 0.00 0.00 39.78 35.10 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 -1.35 0.00 -6.15 3.52 0.13 -1.91 -3.44 132.00 122.80 3krk h PRO 40 Ca -0.60 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 63.97 3krk h PRO 40 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 3krk h PRO 40 CO 0.45 0.45 0.36 0.00 -0.23 0.00 0.00 178.00 179.03 3krk s GLN 42 N 1.55 2.63 -1.43 0.00 -1.52 0.06 -4.53 119.66 116.42 3krk s GLN 42 Ca 0.44 -1.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.33 3krk s GLN 42 Cb -0.18 -2.48 0.04 0.00 -0.22 0.00 0.00 33.01 30.17 3krk s GLN 42 CO 0.19 -0.17 0.63 0.09 -0.25 0.00 0.00 175.29 175.78 3krk n ASN 43 N -1.59 -5.00 -0.44 5.90 3.02 -1.26 -1.04 115.26 114.85 3krk n ASN 43 Ca 0.04 -0.40 -0.05 0.00 -0.03 0.00 0.00 54.58 54.14 3krk n ASN 43 Cb 0.61 -4.06 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 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 -4.04 -0.36 -1.92 3.52 5.12 -1.26 -4.81 116.66 112.91 3krk n ARG 44 Ca -0.05 0.55 -0.35 0.00 -1.93 0.00 0.00 57.85 56.07 3krk n ARG 44 Cb 0.57 -4.28 0.04 0.00 -1.16 0.00 0.00 32.46 27.63 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 -2.90 2.52 -0.20 -0.13 0.00 -0.21 -4.94 107.32 101.46 3krk s GLY 45 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 3krk s GLY 45 CO 0.00 1.22 0.09 -0.54 0.00 0.00 0.00 173.10 173.87 3krk s GLU 46 N -3.58 3.99 -0.14 2.90 0.41 -0.88 -4.72 118.70 116.67 3krk s GLU 46 Ca 0.73 -0.33 -0.12 0.00 -0.41 0.00 0.00 54.97 54.85 3krk s GLU 46 Cb -0.26 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.73 3krk s GLU 46 CO 0.35 0.20 0.23 0.00 -0.49 0.00 0.00 175.26 175.56 3krk s MET 48 N -0.03 0.09 0.36 0.00 0.00 -0.74 -5.00 119.30 113.99 3krk s MET 48 Ca 0.15 0.05 -0.26 0.00 0.00 0.00 0.00 55.69 55.63 3krk s MET 48 Cb -0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 34.83 34.40 3krk s MET 48 CO 0.03 -0.07 1.13 -1.54 0.00 0.00 0.00 175.02 174.58 3krk s SER 49 N 0.52 6.80 0.00 1.11 1.04 -1.26 -0.17 113.70 121.74 3krk s SER 49 Ca -0.05 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.67 3krk s SER 49 Cb -0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3krk s SER 49 CO -0.01 -0.48 0.45 0.35 0.98 0.00 0.00 173.24 174.53 3krk n THR 50 N 0.41 0.00 -3.14 2.02 -2.24 0.11 -4.83 114.28 106.61 3krk n THR 50 Ca 0.03 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3krk n THR 50 Cb 0.46 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.09 1.51 0.25 3.38 0.00 -1.14 -4.93 105.19 104.35 3krk n GLY 51 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 0.71 0.85 -0.58 1.61 0.04 -1.97 -3.32 116.94 114.27 3krk h PHE 52 Ca 0.00 -0.23 -0.39 0.00 2.80 0.00 0.00 57.97 60.15 3krk h PHE 52 Cb 0.00 -0.19 -0.41 0.00 2.20 0.00 0.00 35.95 37.55 3krk h PHE 52 CO 0.00 0.97 -0.97 -0.40 -0.60 0.00 0.00 178.31 177.31 3krk n ASP 53 N -4.06 3.21 -3.89 2.17 5.68 -1.26 -4.46 116.55 113.94 3krk n ASP 53 Ca -0.01 -2.88 -0.11 0.00 -0.50 0.00 0.00 54.79 51.28 3krk n ASP 53 Cb 0.50 -0.41 -0.13 0.00 -1.14 0.00 0.00 41.12 39.95 3krk n ASP 53 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3krk s GLN 54 N -3.66 0.15 0.33 0.11 -0.21 -1.25 -4.99 119.66 110.14 3krk s GLN 54 Ca 0.39 -0.14 0.05 0.00 0.02 0.00 0.00 55.36 55.68 3krk s GLN 54 Cb 0.37 0.06 -0.07 0.00 1.00 0.00 0.00 33.01 34.37 3krk s GLN 54 CO -0.00 -0.03 0.02 1.52 -2.12 0.00 0.00 175.29 174.68 3krk s TYR 55 N -0.46 2.08 0.02 0.91 -0.85 -1.26 0.07 117.35 117.86 3krk s TYR 55 Ca -0.05 -0.83 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 3krk s TYR 55 Cb -0.03 -1.34 -0.02 0.00 0.38 0.00 0.00 41.96 40.95 3krk s TYR 55 CO -0.00 0.17 -0.06 0.21 -1.52 0.00 0.00 175.55 174.35 3krk s LYS 56 N -3.81 0.44 -0.15 -3.49 2.20 0.77 -4.73 119.74 110.96 3krk s LYS 56 Ca 0.34 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.37 3krk s LYS 56 Cb 0.08 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 3krk s LYS 56 CO 0.15 0.06 0.11 0.00 -0.36 0.00 0.00 175.35 175.31 3krk s ASP 58 N -0.39 5.98 -0.06 0.00 -1.08 0.48 -4.89 116.67 116.72 3krk s ASP 58 Ca 0.11 -1.25 0.13 0.00 -0.52 0.00 0.00 52.55 51.02 3krk s ASP 58 Cb -0.12 -2.12 0.48 0.00 -1.46 0.00 0.00 42.92 39.70 3krk s ASP 58 CO 0.01 -0.56 1.35 0.00 0.52 0.00 0.00 175.17 176.50 3krk n THR 60 N 0.75 0.35 -1.55 0.00 -1.04 -1.26 -1.82 114.28 109.71 3krk n THR 60 Ca 0.17 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 3krk n THR 60 Cb 0.59 -1.38 -0.08 0.00 -1.82 0.00 0.00 70.33 67.64 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 5.45 -1.47 0.17 -2.82 1.74 -1.26 -4.85 116.66 113.61 3krk n ARG 61 Ca 0.25 1.14 0.10 0.00 -0.77 0.00 0.00 57.85 58.56 3krk n ARG 61 Cb 0.18 -5.51 0.09 0.00 -1.02 0.00 0.00 32.46 26.20 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 0.15 0.00 0.55 1.35 -1.67 -3.47 112.91 109.82 3krk h THR 62 Ca -0.39 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3krk h THR 62 Cb 1.28 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3krk h THR 62 CO 0.57 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 3krk n GLY 63 N 1.16 0.77 3.36 5.82 0.00 -1.26 -5.00 105.19 110.03 3krk n GLY 63 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 1.69 0.08 1.61 0.08 -1.26 -1.66 117.98 115.68 3krk s PHE 64 Ca 0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 3krk s PHE 64 Cb 0.00 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 3krk s PHE 64 CO 0.00 0.18 0.11 2.48 -0.10 0.00 0.00 175.22 177.89 3krk n TYR 65 N -0.43 -0.58 0.00 0.36 0.18 0.27 -4.83 117.16 112.12 3krk n TYR 65 Ca -0.07 -0.59 0.00 0.00 1.88 0.00 0.00 57.90 59.12 3krk n TYR 65 Cb 0.62 0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.71 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 -0.14 0.10 0.34 -7.48 0.00 -1.26 -1.64 105.19 95.10 3krk n GLY 66 Ca 0.01 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 0.74 -0.05 1.61 4.81 -2.01 -2.88 114.58 116.81 3krk h GLU 67 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3krk h GLU 67 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3krk h GLU 67 CO 0.00 0.49 0.00 0.09 -0.73 0.00 0.00 179.01 178.86 3krk n ASN 68 N -4.46 2.43 -3.67 1.04 3.02 -1.26 -4.06 115.26 108.30 3krk n ASN 68 Ca 0.08 -2.67 -0.21 0.00 -0.03 0.00 0.00 54.58 51.75 3krk n ASN 68 Cb 0.14 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.05 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 -4.23 0.10 -2.67 0.00 -2.24 -0.92 -4.41 114.28 99.90 3krk n THR 70 Ca -0.29 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 3krk n THR 70 Cb 0.67 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.63 4.43 0.40 4.28 2.01 -0.65 -4.90 115.64 118.58 3krk s THR 71 Ca -0.04 1.42 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 3krk s THR 71 Cb 0.06 -4.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 3krk s THR 71 CO 0.42 -0.67 1.01 -2.16 -0.69 0.00 0.00 174.62 172.52 3krk s PRO 72 N 3.86 4.20 0.83 4.92 0.04 -1.26 -0.57 135.00 147.02 3krk s PRO 72 Ca 0.44 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3krk s PRO 72 Cb -0.10 -2.45 0.09 0.00 0.04 0.00 0.00 34.50 32.08 3krk s PRO 72 CO 0.22 -0.08 1.10 -1.21 0.04 0.00 0.00 177.00 177.06 3krk s GLU 73 N -2.66 1.80 0.25 4.56 2.02 -0.66 -4.81 118.70 119.20 3krk s GLU 73 Ca 0.59 1.16 -0.04 0.00 0.02 0.00 0.00 54.97 56.69 3krk s GLU 73 Cb -0.18 -1.85 0.36 0.00 0.10 0.00 0.00 34.13 32.57 3krk s GLU 73 CO 0.23 -1.96 1.87 0.35 0.02 0.00 0.00 175.26 175.77 3krk h PHE 74 N -1.36 1.09 -0.30 1.61 3.57 -1.96 -1.21 116.94 118.38 3krk h PHE 74 Ca -0.45 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 3krk h PHE 74 Cb 1.25 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3krk h PHE 74 CO 0.53 0.57 -0.16 1.25 -2.23 0.00 0.00 178.31 178.27 3krk h LEU 75 N 1.08 0.52 -0.69 0.59 5.85 -1.95 -2.75 115.31 117.96 3krk h LEU 75 Ca 0.40 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3krk h LEU 75 Cb 0.16 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3krk h LEU 75 CO -0.17 0.70 -0.30 0.74 -0.34 0.00 0.00 178.44 179.07 3krk h THR 76 N 0.48 1.28 -0.44 1.05 2.02 -1.61 -2.20 112.91 113.50 3krk h THR 76 Ca 0.08 -1.42 0.08 0.00 0.77 0.00 0.00 66.41 65.92 3krk h THR 76 Cb 0.56 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3krk h THR 76 CO 0.04 0.46 0.05 0.03 0.37 0.00 0.00 175.52 176.47 3krk h ARG 77 N 0.59 0.17 -0.37 6.66 3.08 -0.96 0.04 114.38 123.59 3krk h ARG 77 Ca 0.07 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3krk h ARG 77 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3krk h ARG 77 CO 0.07 0.11 -0.38 0.82 -1.07 0.00 0.00 179.97 179.52 3krk h ILE 78 N 0.18 1.28 -0.79 2.04 2.04 -1.46 -2.28 117.51 118.52 3krk h ILE 78 Ca 0.22 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 3krk h ILE 78 Cb 0.29 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3krk h ILE 78 CO -0.31 0.52 0.37 0.11 0.00 0.00 0.00 178.15 178.84 3krk h LYS 79 N 0.72 1.13 -0.26 2.37 1.57 -1.04 -2.31 116.57 118.75 3krk h LYS 79 Ca 0.06 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3krk h LYS 79 Cb 0.96 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3krk h LYS 79 CO 0.09 0.87 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.55 3krk h LEU 80 N 1.12 0.64 -1.36 2.94 3.38 -0.91 -2.03 115.31 119.09 3krk h LEU 80 Ca 0.27 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3krk h LEU 80 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3krk h LEU 80 CO -0.03 0.97 -0.13 -0.07 0.09 0.00 0.00 178.44 179.27 3krk h LEU 81 N 0.33 0.26 0.00 1.67 3.38 -1.31 -3.17 115.31 116.47 3krk h LEU 81 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3krk h LEU 81 Cb 0.77 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3krk h LEU 81 CO 0.06 0.41 -1.14 0.18 0.09 0.00 0.00 178.44 178.04 3krk n LEU 82 N -4.27 0.67 -4.67 1.67 4.77 -0.88 -4.90 117.00 109.40 3krk n LEU 82 Ca -0.00 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 3krk n LEU 82 Cb 0.27 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3krk n LEU 82 CO 0.38 -0.12 1.21 -0.75 -1.33 0.00 0.00 177.39 176.78 3krk s LYS 83 N -3.35 4.22 0.55 3.23 2.47 -0.76 -5.01 119.74 121.08 3krk s LYS 83 Ca -0.01 1.94 -0.18 0.00 -1.56 0.00 0.00 55.97 56.16 3krk s LYS 83 Cb 0.11 -3.81 -0.06 0.00 -1.46 0.00 0.00 37.83 32.61 3krk s LYS 83 CO 0.81 -0.73 1.08 -1.25 0.16 0.00 0.00 175.35 175.41 3krk s PRO 84 N 3.49 3.44 0.67 4.03 0.04 -1.26 -5.00 135.00 140.42 3krk s PRO 84 Ca 0.64 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 3krk s PRO 84 Cb -0.28 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3krk s PRO 84 CO 0.23 -0.73 1.08 0.95 0.04 0.00 0.00 177.00 178.57 3krk s THR 85 N -2.07 3.54 0.33 1.26 -4.23 -1.26 -4.87 115.64 108.33 3krk s THR 85 Ca 0.68 0.63 0.07 0.00 -1.18 0.00 0.00 61.69 61.89 3krk s THR 85 Cb -0.19 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.78 3krk s THR 85 CO 0.28 -0.52 1.82 -0.65 -0.54 0.00 0.00 174.62 175.01 3krk h PRO 86 N -0.24 0.73 -0.08 3.99 0.11 -1.96 -2.05 132.00 132.51 3krk h PRO 86 Ca -0.46 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3krk h PRO 86 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3krk h PRO 86 CO 0.55 0.48 -0.53 -0.91 -0.21 0.00 0.00 178.00 177.38 3krk h ASN 87 N 0.75 0.24 0.14 -2.05 2.35 -1.98 0.56 115.58 115.58 3krk h ASN 87 Ca 0.52 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3krk h ASN 87 Cb 0.82 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3krk h ASN 87 CO -0.29 0.72 -0.07 0.74 -1.65 0.00 0.00 177.43 176.89 3krk h THR 88 N 0.17 0.95 -0.62 2.81 2.02 -1.76 -1.34 112.91 115.14 3krk h THR 88 Ca 0.00 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.87 3krk h THR 88 Cb 0.99 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3krk h THR 88 CO 0.08 0.08 0.37 0.58 0.37 0.00 0.00 175.52 177.00 3krk h VAL 89 N -0.35 1.04 -0.42 3.16 2.07 -1.24 -1.89 116.25 118.63 3krk h VAL 89 Ca -0.02 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3krk h VAL 89 Cb 0.28 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3krk h VAL 89 CO 0.03 0.13 0.15 -0.74 0.02 0.00 0.00 177.57 177.16 3krk h HIS 90 N 0.71 0.27 -0.48 1.57 6.17 -0.84 -1.06 115.15 121.50 3krk h HIS 90 Ca 0.26 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.42 3krk h HIS 90 Cb 0.07 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 29.88 3krk h HIS 90 CO -0.06 0.11 0.17 -0.92 0.71 0.00 0.00 177.93 177.94 3krk h TYR 91 N 0.32 0.30 -0.53 5.26 3.20 -0.66 -1.43 116.97 123.43 3krk h TYR 91 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3krk h TYR 91 Cb 0.17 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3krk h TYR 91 CO -0.15 0.10 0.25 0.82 -1.64 0.00 0.00 178.16 177.55 3krk h ILE 92 N 0.35 1.20 0.00 1.81 2.04 -0.87 -1.78 117.51 120.26 3krk h ILE 92 Ca 0.23 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3krk h ILE 92 Cb 0.23 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3krk h ILE 92 CO -0.23 0.23 -0.15 -0.07 0.00 0.00 0.00 178.15 177.93 3krk h LEU 93 N 0.71 0.00 -1.83 1.44 3.38 -0.85 -2.95 115.31 115.20 3krk h LEU 93 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3krk h LEU 93 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3krk h LEU 93 CO -0.02 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.00 3krk n THR 94 N -3.40 0.11 -4.39 0.22 -2.24 -0.57 -1.62 114.28 102.39 3krk n THR 94 Ca -0.01 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 3krk n THR 94 Cb 0.33 1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.05 0.51 -3.75 4.78 8.25 -0.69 -4.85 115.22 120.53 3krk n HIS 95 Ca 0.12 -1.43 -0.24 0.00 -0.26 0.00 0.00 57.72 55.91 3krk n HIS 95 Cb 0.47 -0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.66 -2.07 -0.32 4.41 3.01 -1.26 -4.87 117.46 115.70 3krk n PHE 96 Ca -0.10 0.87 0.11 0.00 1.01 0.00 0.00 57.45 59.34 3krk n PHE 96 Cb 0.36 -4.33 0.29 0.00 -0.01 0.00 0.00 39.48 35.78 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 -1.97 0.59 -0.89 -1.08 3.64 -1.93 -1.27 116.57 113.67 3krk h LYS 97 Ca -0.60 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.82 3krk h LYS 97 Cb 1.36 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 3krk h LYS 97 CO 0.59 0.39 0.55 0.78 -2.27 0.00 0.00 179.45 179.49 3krk h GLY 98 N 0.61 1.36 0.93 5.01 0.00 -2.00 -0.50 103.07 108.49 3krk h GLY 98 Ca 0.54 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3krk h GLY 98 CO -0.42 0.24 -0.12 -2.08 0.00 0.00 0.00 176.54 174.16 3krk h VAL 99 N 0.97 1.29 -0.83 4.60 2.07 -1.62 -3.13 116.25 119.60 3krk h VAL 99 Ca 0.40 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3krk h VAL 99 Cb 0.23 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3krk h VAL 99 CO -0.19 0.39 0.38 -0.50 0.02 0.00 0.00 177.57 177.66 3krk h TRP 100 N 0.44 1.22 -0.70 1.57 4.06 -1.06 -0.56 115.95 120.92 3krk h TRP 100 Ca 0.08 -0.07 0.11 0.00 2.06 0.00 0.00 58.89 61.07 3krk h TRP 100 Cb 0.64 -0.37 -0.08 0.00 -1.00 0.00 0.00 29.16 28.35 3krk h TRP 100 CO 0.06 0.89 0.29 -0.91 -3.56 0.00 0.00 178.44 175.20 3krk h ASN 101 N 1.19 0.30 0.11 -3.49 2.35 -1.13 0.63 115.58 115.54 3krk h ASN 101 Ca 0.28 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 3krk h ASN 101 Cb 0.15 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3krk h ASN 101 CO -0.03 0.15 -0.05 0.40 -1.65 0.00 0.00 177.43 176.25 3krk h ILE 102 N 0.47 1.00 -0.69 2.81 2.04 -1.36 -2.88 117.51 118.90 3krk h ILE 102 Ca 0.36 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3krk h ILE 102 Cb 0.48 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3krk h ILE 102 CO -0.34 0.10 0.38 0.58 0.00 0.00 0.00 178.15 178.87 3krk h VAL 103 N -0.34 0.95 -0.29 1.67 2.07 -0.43 -2.16 116.25 117.73 3krk h VAL 103 Ca -0.02 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3krk h VAL 103 Cb 0.28 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3krk h VAL 103 CO 0.02 0.13 0.18 0.78 0.02 0.00 0.00 177.57 178.70 3krk h ASN 104 N 0.70 0.34 -0.11 0.57 2.35 0.24 -2.82 115.58 116.85 3krk h ASN 104 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3krk h ASN 104 Cb 0.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3krk h ASN 104 CO -0.20 0.26 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 3krk n ASN 105 N -4.48 2.18 -4.15 5.81 3.02 -0.84 -4.56 115.26 112.25 3krk n ASN 105 Ca 0.01 -1.74 -0.38 0.00 -0.03 0.00 0.00 54.58 52.44 3krk n ASN 105 Cb 0.08 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.88 3.61 0.34 2.41 1.01 -1.02 -5.00 121.20 120.67 3krk s ILE 105 Ca 0.34 -2.05 0.13 0.00 0.00 0.00 0.00 60.65 59.07 3krk s ILE 105 Cb 0.20 -3.43 0.34 0.00 0.01 0.00 0.00 42.46 39.57 3krk s ILE 105 CO 0.31 -0.74 1.73 -0.65 0.00 0.00 0.00 174.94 175.59 3krk h PRO 106 N 8.09 0.48 -0.50 2.79 0.11 -1.81 -1.39 132.00 139.78 3krk h PRO 106 Ca -0.14 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.98 3krk h PRO 106 Cb 1.05 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 3krk h PRO 106 CO 0.75 0.32 0.25 0.35 -0.21 0.00 0.00 178.00 179.46 3krk h PHE 107 N 0.50 0.46 -0.09 0.65 3.57 -1.94 -0.47 116.94 119.61 3krk h PHE 107 Ca 0.65 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 62.08 3krk h PHE 107 Cb 1.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3krk h PHE 107 CO -0.01 0.23 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.96 3krk h LEU 108 N 0.49 0.40 -0.41 0.59 3.38 -1.55 -2.07 115.31 116.15 3krk h LEU 108 Ca 0.22 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.67 3krk h LEU 108 Cb 0.12 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3krk h LEU 108 CO -0.15 0.94 -0.16 -0.09 0.09 0.00 0.00 178.44 179.07 3krk h ARG 109 N -0.11 -0.07 -0.36 1.13 2.43 -1.31 0.19 114.38 116.28 3krk h ARG 109 Ca -0.01 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3krk h ARG 109 Cb 0.90 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3krk h ARG 109 CO 0.06 -0.05 0.23 0.77 -1.51 0.00 0.00 179.97 179.47 3krk h SER 110 N -0.08 0.40 -0.36 -3.80 0.02 -1.13 -0.80 113.55 107.81 3krk h SER 110 Ca 0.20 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3krk h SER 110 Cb 0.38 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3krk h SER 110 CO -0.46 0.29 0.12 0.25 -1.14 0.00 0.00 176.83 175.88 3krk h LEU 111 N 0.47 0.12 -0.10 5.07 6.46 -0.73 0.12 115.31 126.72 3krk h LEU 111 Ca 0.13 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 3krk h LEU 111 Cb -0.05 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 3krk h LEU 111 CO -0.03 0.11 -0.07 0.40 -0.62 0.00 0.00 178.44 178.22 3krk h ILE 112 N 0.27 1.34 -0.85 4.05 2.04 -0.83 -2.62 117.51 120.90 3krk h ILE 112 Ca 0.16 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3krk h ILE 112 Cb 0.14 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3krk h ILE 112 CO -0.17 0.33 0.57 -0.03 0.00 0.00 0.00 178.15 178.85 3krk h MET 113 N -0.15 1.12 -0.58 2.37 4.05 -1.04 -1.48 114.93 119.22 3krk h MET 113 Ca 0.02 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3krk h MET 113 Cb 0.56 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3krk h MET 113 CO 0.02 0.74 0.36 -0.22 0.23 0.00 0.00 176.91 178.04 3krk h LYS 114 N 1.15 0.70 -0.32 0.39 3.64 -0.69 -1.52 116.57 119.92 3krk h LYS 114 Ca 0.31 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3krk h LYS 114 Cb -0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 3krk h LYS 114 CO -0.07 0.46 0.06 -0.92 -2.27 0.00 0.00 179.45 176.71 3krk h TYR 115 N 0.72 0.55 -0.24 1.91 3.20 -1.04 -2.42 116.97 119.65 3krk h TYR 115 Ca 0.23 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3krk h TYR 115 Cb -0.01 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 3krk h TYR 115 CO -0.05 0.59 -0.43 0.28 -1.64 0.00 0.00 178.16 176.90 3krk h VAL 116 N 0.35 0.12 -0.62 1.81 2.07 -1.04 -0.54 116.25 118.41 3krk h VAL 116 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3krk h VAL 116 Cb 0.33 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 3krk h VAL 116 CO 0.00 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.83 3krk h LEU 117 N -0.43 0.42 0.00 2.57 3.38 -1.18 -2.37 115.31 117.70 3krk h LEU 117 Ca 0.10 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3krk h LEU 117 Cb 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3krk h LEU 117 CO -0.47 0.27 -0.12 0.71 0.09 0.00 0.00 178.44 178.93 3krk h THR 118 N 0.57 1.62 -0.98 0.22 1.35 -1.14 -2.60 112.91 111.95 3krk h THR 118 Ca 0.29 -1.97 0.01 0.00 -0.55 0.00 0.00 66.41 64.18 3krk h THR 118 Cb 0.24 2.92 -0.05 0.00 -1.73 0.00 0.00 68.15 69.52 3krk h THR 118 CO -0.21 0.52 0.64 0.77 -0.25 0.00 0.00 175.52 176.99 3krk h SER 119 N -0.69 1.14 0.04 5.36 4.64 -1.13 -2.24 113.55 120.66 3krk h SER 119 Ca -0.02 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3krk h SER 119 Cb 0.92 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3krk h SER 119 CO 0.02 0.83 -0.02 0.03 -0.87 0.00 0.00 176.83 176.83 3krk h ARG 120 N 1.33 -0.05 -0.30 4.77 2.47 -1.52 -3.31 114.38 117.78 3krk h ARG 120 Ca 0.36 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.02 3krk h ARG 120 Cb -0.14 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 3krk h ARG 120 CO -0.08 0.26 -0.07 0.77 0.56 0.00 0.00 179.97 181.41 3krk h SER 121 N -0.36 0.46 0.00 7.04 0.02 -1.35 -2.93 113.55 116.43 3krk h SER 121 Ca -0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3krk h SER 121 Cb 0.33 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3krk h SER 121 CO 0.01 0.58 0.22 0.22 -1.14 0.00 0.00 176.83 176.72 3krk h TYR 122 N 0.45 0.00 -0.00 3.45 3.20 -1.49 -0.89 116.97 121.69 3krk h TYR 122 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3krk h TYR 122 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3krk h TYR 122 CO 0.01 0.00 -0.01 1.28 -1.64 0.00 0.00 178.16 177.80 3krk n LEU 123 N -2.71 0.02 -4.62 2.82 4.77 -1.11 -4.80 117.00 111.37 3krk n LEU 123 Ca -0.02 0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 56.05 3krk n LEU 123 Cb 0.27 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 3krk n LEU 123 CO 0.13 0.00 -0.25 -0.63 -1.33 0.00 0.00 177.39 175.32 3krk s ILE 124 N -2.91 4.80 -0.01 -0.08 -1.09 -0.34 -5.03 121.20 116.54 3krk s ILE 124 Ca 0.17 -0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.27 3krk s ILE 124 Cb 0.19 -3.18 -0.07 0.00 -1.58 0.00 0.00 42.46 37.82 3krk s ILE 124 CO 0.52 0.43 1.79 -1.81 -1.23 0.00 0.00 174.94 174.65 3krk s ASP 125 N 0.59 6.57 -0.25 3.58 1.01 -1.26 -4.98 116.67 121.93 3krk s ASP 125 Ca 0.04 2.44 -0.02 0.00 0.71 0.00 0.00 52.55 55.71 3krk s ASP 125 Cb -0.13 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.40 3krk s ASP 125 CO 0.01 -0.98 0.37 -0.55 0.21 0.00 0.00 175.17 174.23 3krk s SER 126 N 3.78 0.36 0.65 0.27 0.15 -1.26 -3.76 113.70 113.89 3krk s SER 126 Ca 0.80 0.12 -0.17 0.00 0.70 0.00 0.00 55.95 57.40 3krk s SER 126 Cb -0.38 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 3krk s SER 126 CO 0.35 -0.31 0.76 -2.65 1.20 0.00 0.00 173.24 172.59 3krk n PRO 127 N 5.36 0.59 -1.67 5.44 -0.02 -1.26 -4.92 135.00 138.52 3krk n PRO 127 Ca -0.03 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 3krk n PRO 127 Cb 0.50 -1.99 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.72 3.04 0.00 0.52 0.04 -1.25 -5.06 135.00 129.57 3krk s PRO 128 Ca 0.72 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3krk s PRO 128 Cb -0.39 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3krk s PRO 128 CO 0.51 -1.02 0.00 0.25 0.04 0.00 0.00 177.00 176.78 3krk n THR 129 N -2.92 0.00 -1.82 1.26 -2.24 -1.26 -4.71 114.28 102.59 3krk n THR 129 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 3krk n THR 129 Cb 0.53 -0.10 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 3.27 0.00 4.78 2.02 -1.26 -4.45 117.35 121.97 3krk s TYR 130 Ca 0.00 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.79 3krk s TYR 130 Cb 0.00 -3.05 -0.00 0.00 -0.40 0.00 0.00 41.96 38.51 3krk s TYR 130 CO 0.00 -1.24 0.00 0.27 -1.57 0.00 0.00 175.55 173.02 3krk n ASN 131 N -3.06 -0.01 -0.05 2.29 0.23 -1.05 -0.64 115.26 112.97 3krk n ASN 131 Ca 0.07 -1.02 0.09 0.00 -0.53 0.00 0.00 54.58 53.19 3krk n ASN 131 Cb 0.57 0.02 0.47 0.00 -2.08 0.00 0.00 39.78 38.75 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 1.01 0.98 -0.01 3.53 3.04 -1.88 -2.55 116.25 120.37 3krk h VAL 132 Ca -0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3krk h VAL 132 Cb 0.01 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 3krk h VAL 132 CO 0.00 0.09 -0.57 1.41 -1.01 0.00 0.00 177.57 177.49 3krk n HIS 133 N -4.47 0.00 -3.70 3.17 8.25 -1.26 -4.83 115.22 112.38 3krk n HIS 133 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 3krk n HIS 133 Cb 0.25 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.68 1.10 -2.09 4.41 2.02 -0.96 -4.95 117.35 114.19 3krk s TYR 134 Ca 0.16 -1.13 0.15 0.00 -0.37 0.00 0.00 57.07 55.88 3krk s TYR 134 Cb 0.18 -1.22 0.46 0.00 -0.40 0.00 0.00 41.96 40.98 3krk s TYR 134 CO 0.65 -0.73 1.37 0.41 -1.57 0.00 0.00 175.55 175.68 3krk n GLY 135 N 5.03 0.77 3.21 0.71 0.00 -1.26 -2.52 105.19 111.13 3krk n GLY 135 Ca -0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.55 1.16 0.31 1.61 -0.85 -1.26 -4.91 117.35 111.86 3krk s TYR 136 Ca 0.29 -0.70 -0.29 0.00 -0.52 0.00 0.00 57.07 55.85 3krk s TYR 136 Cb 0.15 -0.62 -0.10 0.00 0.38 0.00 0.00 41.96 41.78 3krk s TYR 136 CO 0.21 0.04 1.35 0.15 -1.52 0.00 0.00 175.55 175.77 3krk s LYS 137 N -3.20 4.32 0.04 -3.49 3.01 -1.26 -4.84 119.74 114.33 3krk s LYS 137 Ca 0.10 2.25 -0.21 0.00 -1.01 0.00 0.00 55.97 57.10 3krk s LYS 137 Cb -0.01 -3.08 0.05 0.00 -1.01 0.00 0.00 37.83 33.78 3krk s LYS 137 CO 0.00 -0.26 0.48 -1.54 0.51 0.00 0.00 175.35 174.54 3krk s SER 138 N -0.24 -0.39 0.34 2.83 1.04 -1.26 -5.05 113.70 110.97 3krk s SER 138 Ca 0.52 0.14 0.03 0.00 0.48 0.00 0.00 55.95 57.11 3krk s SER 138 Cb -0.40 0.46 0.60 0.00 0.10 0.00 0.00 66.02 66.78 3krk s SER 138 CO 0.51 -0.68 1.93 -0.25 0.98 0.00 0.00 173.24 175.72 3krk h TRP 139 N 2.93 0.69 -0.46 5.02 2.91 -1.98 -1.28 115.95 123.77 3krk h TRP 139 Ca -0.31 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.70 3krk h TRP 139 Cb 1.20 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 29.61 3krk h TRP 139 CO 0.39 0.54 0.27 1.49 -1.03 0.00 0.00 178.44 180.10 3krk h GLU 140 N 0.68 0.54 -0.59 2.65 4.57 -1.98 0.23 114.58 120.68 3krk h GLU 140 Ca 0.17 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3krk h GLU 140 Cb 0.15 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3krk h GLU 140 CO -0.02 0.35 0.01 0.00 -1.18 0.00 0.00 179.01 178.18 3krk h ALA 141 N 1.20 0.90 -0.21 2.92 0.00 -1.77 -2.26 119.26 120.04 3krk h ALA 141 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3krk h ALA 141 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3krk h ALA 141 CO -0.08 0.65 -0.04 0.35 0.00 0.00 0.00 179.25 180.14 3krk h PHE 142 N 0.94 0.44 0.00 0.00 3.57 -0.91 -3.37 116.94 117.60 3krk h PHE 142 Ca 0.17 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3krk h PHE 142 Cb 0.53 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3krk h PHE 142 CO 0.04 0.62 -1.09 0.66 -2.23 0.00 0.00 178.31 176.30 3krk h SER 143 N 0.13 0.00 -3.24 0.41 4.64 -0.95 -3.45 113.55 111.08 3krk h SER 143 Ca 0.05 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.77 3krk h SER 143 Cb 0.47 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.45 3krk h SER 143 CO 0.02 0.17 0.61 0.21 -0.87 0.00 0.00 176.83 176.96 3krk s ASN 144 N -5.51 6.36 0.00 4.97 3.84 -0.85 -4.88 114.94 118.87 3krk s ASN 144 Ca -0.01 -0.26 0.30 0.00 0.21 0.00 0.00 52.86 53.10 3krk s ASN 144 Cb 0.09 -2.45 1.48 0.00 -0.55 0.00 0.00 41.25 39.82 3krk s ASN 144 CO 0.79 -1.23 2.03 0.18 -2.79 0.00 0.00 177.10 176.08 3krk n LEU 145 N 7.52 0.05 0.21 3.21 4.77 -1.26 -3.27 117.00 128.24 3krk n LEU 145 Ca 0.03 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 3krk n LEU 145 Cb 0.48 -0.28 0.38 0.00 -2.33 0.00 0.00 43.42 41.67 3krk n LEU 145 CO 0.64 0.01 0.77 0.28 -1.33 0.00 0.00 177.39 177.76 3krk h SER 146 N 0.06 0.00 -3.74 -1.43 0.02 -1.90 -3.44 113.55 103.12 3krk h SER 146 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3krk h SER 146 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3krk h SER 146 CO 0.00 0.23 0.22 -0.31 -1.14 0.00 0.00 176.83 175.83 3krk s TYR 147 N -3.50 3.63 0.45 3.45 2.02 -1.20 0.51 117.35 122.71 3krk s TYR 147 Ca 0.02 1.56 -0.23 0.00 -0.37 0.00 0.00 57.07 58.05 3krk s TYR 147 Cb 0.09 -2.76 -0.08 0.00 -0.40 0.00 0.00 41.96 38.82 3krk s TYR 147 CO 0.65 0.24 1.14 0.71 -1.57 0.00 0.00 175.55 176.72 3krk s TYR 148 N -1.63 2.96 0.81 2.71 2.02 -0.35 -4.71 117.35 119.15 3krk s TYR 148 Ca 0.48 1.56 -0.09 0.00 -0.37 0.00 0.00 57.07 58.64 3krk s TYR 148 Cb -0.17 -3.32 0.12 0.00 -0.40 0.00 0.00 41.96 38.19 3krk s TYR 148 CO 0.21 -1.31 1.14 -0.08 -1.57 0.00 0.00 175.55 173.94 3krk s THR 149 N -1.57 2.12 -0.05 -0.71 -1.32 0.18 -4.48 115.64 109.81 3krk s THR 149 Ca 0.62 -0.21 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3krk s THR 149 Cb -0.27 -2.91 0.01 0.00 -1.51 0.00 0.00 72.50 67.82 3krk s THR 149 CO 0.33 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.51 3krk s ARG 150 N -5.49 1.36 0.20 7.08 1.81 0.19 -0.37 118.95 123.74 3krk s ARG 150 Ca 0.66 -0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.37 3krk s ARG 150 Cb -0.07 -1.18 0.14 0.00 -0.45 0.00 0.00 34.95 33.39 3krk s ARG 150 CO 0.48 0.01 1.49 0.00 -0.68 0.00 0.00 175.30 176.60 3krk h ALA 151 N 6.94 0.71 -4.24 2.13 0.00 -1.97 -3.34 119.26 119.49 3krk h ALA 151 Ca -0.33 -0.58 -0.65 0.00 0.00 0.00 0.00 54.91 53.35 3krk h ALA 151 Cb 1.18 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 3krk h ALA 151 CO 0.48 0.75 -0.87 -0.51 0.00 0.00 0.00 179.25 179.10 3krk s LEU 152 N -7.95 2.15 0.62 0.00 1.43 -1.26 -5.02 118.68 108.65 3krk s LEU 152 Ca -0.05 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 3krk s LEU 152 Cb 0.11 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 3krk s LEU 152 CO 0.82 0.23 1.17 -2.16 0.23 0.00 0.00 176.35 176.64 3krk s PRO 153 N -1.14 2.89 0.71 1.29 0.04 -1.26 -4.93 135.00 132.60 3krk s PRO 153 Ca 0.10 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 3krk s PRO 153 Cb -0.09 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3krk s PRO 153 CO 0.02 -1.24 1.14 -1.25 0.04 0.00 0.00 177.00 175.71 3krk s PRO 154 N -3.58 2.41 0.21 0.56 0.04 -1.26 -4.66 135.00 128.71 3krk s PRO 154 Ca 0.74 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 3krk s PRO 154 Cb -0.27 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 3krk s PRO 154 CO 0.35 -1.57 1.46 0.08 0.04 0.00 0.00 177.00 177.36 3krk s VAL 155 N -2.35 2.74 0.58 -0.36 1.01 -0.66 -4.87 120.40 116.50 3krk s VAL 155 Ca 0.68 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 3krk s VAL 155 Cb -0.22 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3krk s VAL 155 CO 0.46 0.08 1.28 0.00 0.00 0.00 0.00 175.10 176.92 3krk n ALA 156 N 2.93 1.25 0.07 5.51 0.00 -1.26 -4.89 120.51 124.11 3krk n ALA 156 Ca 0.09 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.68 3krk n ALA 156 Cb 0.40 -2.31 0.52 0.00 0.00 0.00 0.00 19.45 18.06 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 1.05 0.28 -0.02 0.00 3.32 -2.00 -2.95 116.42 116.09 3krk h ASP 157 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3krk h ASP 157 Cb 1.32 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3krk h ASP 157 CO 0.55 0.19 -0.02 -0.90 -1.72 0.00 0.00 179.24 177.34 3krk n ASP 158 N -4.49 2.15 -4.62 6.45 5.68 -1.26 -4.97 116.55 115.49 3krk n ASP 158 Ca 0.03 -1.70 -0.44 0.00 -0.50 0.00 0.00 54.79 52.18 3krk n ASP 158 Cb 0.16 0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 3krk n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krk h PRO 160 N 2.11 0.00 -4.62 0.00 0.13 -1.92 -3.43 132.00 124.27 3krk h PRO 160 Ca -0.42 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.40 3krk h PRO 160 Cb 1.32 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 3krk h PRO 160 CO 0.61 0.02 -0.75 0.99 -0.23 0.00 0.00 178.00 178.64 3krk s THR 161 N -3.99 0.60 0.32 1.56 2.01 -0.82 -4.84 115.64 110.48 3krk s THR 161 Ca -0.02 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3krk s THR 161 Cb 0.12 -0.61 0.31 0.00 0.01 0.00 0.00 72.50 72.33 3krk s THR 161 CO 0.49 -0.18 1.81 -0.65 -0.69 0.00 0.00 174.62 175.40 3krk h PRO 162 N 4.98 0.76 -0.07 4.92 0.11 -1.80 0.32 132.00 141.23 3krk h PRO 162 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3krk h PRO 162 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3krk h PRO 162 CO 0.44 0.50 0.00 -1.33 -0.21 0.00 0.00 178.00 177.40 3krk n MET 163 N -4.66 1.90 0.00 1.05 2.81 -1.26 -4.88 117.12 112.08 3krk n MET 163 Ca 0.21 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 3krk n MET 163 Cb 0.51 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.24 1.47 0.00 3.03 0.00 0.10 -4.74 105.19 106.28 3krk n GLY 164 Ca 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -2.23 1.61 0.24 -1.26 -1.94 118.33 114.76 3krk n VAL 165 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 3krk n VAL 165 Cb 0.00 -0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.91 3.70 0.64 7.34 1.02 -1.26 -4.79 119.74 124.47 3krk s LYS 166 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.68 3krk s LYS 166 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 3krk s LYS 166 CO 0.00 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 3krk n GLY 167 N -2.21 -2.19 3.88 -3.33 0.00 -1.26 -4.61 105.19 95.47 3krk n GLY 167 Ca 0.05 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.33 4.75 0.59 1.61 0.02 -1.26 -4.96 114.94 112.35 3krk s ASN 168 Ca 0.00 0.93 0.36 0.00 -1.02 0.00 0.00 52.86 53.13 3krk s ASN 168 Cb 0.00 -1.54 1.84 0.00 0.02 0.00 0.00 41.25 41.58 3krk s ASN 168 CO 0.00 -1.76 2.18 0.50 0.02 0.00 0.00 177.10 178.04 3krk h LYS 169 N -0.95 0.00 -4.96 -0.60 1.63 -1.93 -3.41 116.57 106.34 3krk h LYS 169 Ca -0.46 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.00 3krk h LYS 169 Cb 1.30 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.72 3krk h LYS 169 CO 0.65 0.03 -0.75 -1.21 -3.45 0.00 0.00 179.45 174.72 3krk s GLU 170 N -4.06 0.69 0.62 1.90 8.01 -1.26 -4.54 118.70 120.06 3krk s GLU 170 Ca -0.03 -0.89 -0.15 0.00 0.01 0.00 0.00 54.97 53.91 3krk s GLU 170 Cb 0.12 -0.56 -0.02 0.00 -4.31 0.00 0.00 34.13 29.36 3krk s GLU 170 CO 0.50 0.11 1.07 -0.51 0.01 0.00 0.00 175.26 176.44 3krk s LEU 171 N -1.75 3.42 0.72 1.80 1.43 -1.26 -5.01 118.68 118.03 3krk s LEU 171 Ca -0.05 1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 3krk s LEU 171 Cb -0.09 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.59 3krk s LEU 171 CO 0.01 -1.30 0.88 -0.81 0.23 0.00 0.00 176.35 175.37 3krk n PRO 172 N -2.28 0.47 -1.61 1.29 -0.04 -1.26 -4.87 135.00 126.70 3krk n PRO 172 Ca 0.09 0.21 -0.46 0.00 -0.04 0.00 0.00 63.50 63.30 3krk n PRO 172 Cb 0.53 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.82 3krk n PRO 172 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3krk n ASP 173 N -1.38 1.76 0.06 3.54 -0.08 -1.26 -4.90 116.55 114.29 3krk n ASP 173 Ca 0.12 1.16 -0.12 0.00 -1.51 0.00 0.00 54.79 54.45 3krk n ASP 173 Cb 0.49 -1.31 -0.06 0.00 2.34 0.00 0.00 41.12 42.59 3krk n ASP 173 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3krk h SER 174 N 2.97 -0.25 -0.50 1.67 0.87 -1.98 -2.85 113.55 113.48 3krk h SER 174 Ca -0.42 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3krk h SER 174 Cb 1.32 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 3krk h SER 174 CO 0.67 -0.13 0.12 0.50 -0.53 0.00 0.00 176.83 177.46 3krk h LYS 175 N -0.17 0.86 -0.19 2.24 3.64 -1.96 -2.40 116.57 118.58 3krk h LYS 175 Ca 0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3krk h LYS 175 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3krk h LYS 175 CO -0.08 0.78 0.10 1.49 -2.27 0.00 0.00 179.45 179.47 3krk h GLU 176 N 0.82 0.27 -0.19 1.90 4.81 -1.91 0.27 114.58 120.55 3krk h GLU 176 Ca 0.18 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3krk h GLU 176 Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3krk h GLU 176 CO 0.00 0.29 0.04 0.28 -0.73 0.00 0.00 179.01 178.89 3krk h VAL 177 N 0.19 0.92 -0.16 0.32 2.07 -1.33 -0.83 116.25 117.43 3krk h VAL 177 Ca 0.07 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3krk h VAL 177 Cb 0.10 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3krk h VAL 177 CO -0.01 0.02 -0.05 0.25 0.02 0.00 0.00 177.57 177.80 3krk h LEU 178 N 0.13 -0.18 -0.11 2.57 5.85 -1.22 -2.32 115.31 120.02 3krk h LEU 178 Ca 0.09 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 3krk h LEU 178 Cb 0.08 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3krk h LEU 178 CO -0.11 -0.07 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.19 3krk h GLU 179 N -0.02 0.47 -0.04 1.25 5.08 -0.77 0.39 114.58 120.94 3krk h GLU 179 Ca 0.08 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3krk h GLU 179 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3krk h GLU 179 CO -0.18 0.98 -0.41 0.87 -1.00 0.00 0.00 179.01 179.27 3krk h LYS 180 N 0.06 0.08 0.00 2.33 1.57 -1.17 -3.39 116.57 116.05 3krk h LYS 180 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3krk h LYS 180 Cb 1.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3krk h LYS 180 CO 0.09 0.49 -0.32 0.28 -0.57 0.00 0.00 179.45 179.41 3krk n VAL 181 N -4.04 0.00 -0.07 0.50 0.31 -0.88 -4.91 118.33 109.24 3krk n VAL 181 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 3krk n VAL 181 Cb 0.46 0.09 -0.07 0.00 -0.91 0.00 0.00 33.84 33.40 3krk n VAL 181 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3krk n LEU 182 N -0.56 2.58 -4.77 7.52 4.77 -0.22 -1.27 117.00 125.05 3krk n LEU 182 Ca 0.00 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3krk n LEU 182 Cb 0.02 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3krk n LEU 182 CO 0.00 0.69 1.00 -0.76 -1.33 0.00 0.00 177.39 176.99 3krk s LEU 183 N -5.75 4.41 0.13 2.23 1.43 -0.04 -1.05 118.68 120.04 3krk s LEU 183 Ca -0.18 2.72 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 3krk s LEU 183 Cb 0.05 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 3krk s LEU 183 CO 0.37 -0.57 1.42 -0.60 0.23 0.00 0.00 176.35 177.19 3krk s ARG 184 N -1.73 4.30 -0.07 1.70 3.52 0.14 -4.13 118.95 122.68 3krk s ARG 184 Ca 0.50 2.13 -0.05 0.00 -0.13 0.00 0.00 55.73 58.17 3krk s ARG 184 Cb -0.40 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 3krk s ARG 184 CO 0.53 -0.46 -0.10 0.54 -0.81 0.00 0.00 175.30 175.00 3krk n ARG 185 N 3.90 0.21 -4.73 5.12 5.12 -1.25 -4.82 116.66 120.21 3krk n ARG 185 Ca 0.12 0.29 -0.30 0.00 -1.93 0.00 0.00 57.85 56.03 3krk n ARG 185 Cb 0.42 -1.09 -0.14 0.00 -1.16 0.00 0.00 32.46 30.49 3krk n ARG 185 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3krk s GLU 186 N -1.63 1.83 0.06 5.56 2.12 -1.26 -5.09 118.70 120.29 3krk s GLU 186 Ca -0.08 -1.11 -0.30 0.00 0.36 0.00 0.00 54.97 53.84 3krk s GLU 186 Cb 0.01 -2.04 -0.09 0.00 0.26 0.00 0.00 34.13 32.27 3krk s GLU 186 CO 0.12 0.51 1.90 0.12 -0.54 0.00 0.00 175.26 177.37 3krk s PHE 187 N -0.89 1.62 -0.42 5.30 5.36 -1.26 -4.92 117.98 122.77 3krk s PHE 187 Ca 0.13 -0.27 -0.11 0.00 -0.96 0.00 0.00 56.93 55.72 3krk s PHE 187 Cb -0.10 -4.20 0.07 0.00 -0.34 0.00 0.00 43.02 38.44 3krk s PHE 187 CO 0.04 -5.22 0.29 0.42 -1.46 0.00 0.00 175.22 169.28 3krk s ILE 188 N 3.85 4.58 0.62 3.12 1.01 -1.26 -5.08 121.20 128.04 3krk s ILE 188 Ca 0.85 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 3krk s ILE 188 Cb -0.43 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3krk s ILE 188 CO 0.39 -0.47 1.14 -2.16 0.00 0.00 0.00 174.94 173.84 3krk s PRO 189 N 1.51 2.93 -0.05 2.79 0.04 -1.26 -0.80 135.00 140.15 3krk s PRO 189 Ca 0.03 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3krk s PRO 189 Cb -0.22 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3krk s PRO 189 CO 0.04 -1.18 1.59 0.34 0.04 0.00 0.00 177.00 177.84 3krk s ASP 190 N -2.16 6.71 0.50 6.66 2.15 0.53 -4.15 116.67 126.91 3krk s ASP 190 Ca 0.71 2.18 0.26 0.00 0.43 0.00 0.00 52.55 56.12 3krk s ASP 190 Cb -0.23 -2.54 1.30 0.00 -0.30 0.00 0.00 42.92 41.15 3krk s ASP 190 CO 0.36 -0.89 2.01 1.55 -0.17 0.00 0.00 175.17 178.04 3krk h PRO 191 N 9.17 0.00 0.00 4.34 0.13 -1.86 -2.48 132.00 141.30 3krk h PRO 191 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3krk h PRO 191 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3krk h PRO 191 CO 0.95 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.91 3krk n GLN 192 N -3.62 0.11 -0.40 0.86 6.02 -1.25 -4.93 117.38 114.18 3krk n GLN 192 Ca -0.01 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3krk n GLN 192 Cb 0.28 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 0.80 0.77 3.68 1.08 0.00 -0.93 -4.93 105.19 105.66 3krk n GLY 193 Ca 0.05 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 3krk n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krk n SER 194 N 0.41 2.93 -3.35 1.61 7.64 -1.26 -1.34 113.62 120.26 3krk n SER 194 Ca 0.00 1.14 -0.11 0.00 1.01 0.00 0.00 58.87 60.90 3krk n SER 194 Cb 0.00 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 61.76 3krk n SER 194 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3krk n ASN 195 N 2.28 1.59 0.19 6.43 0.23 -0.44 0.28 115.26 125.83 3krk n ASN 195 Ca 0.12 -1.84 0.07 0.00 -0.53 0.00 0.00 54.58 52.39 3krk n ASN 195 Cb 0.32 -0.07 0.32 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.69 -3.83 2.86 -0.52 -1.68 114.93 111.06 3krk h MET 196 Ca -0.15 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3krk h MET 196 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3krk h MET 196 CO 0.24 0.33 0.29 0.52 1.06 0.00 0.00 176.91 179.35 3krk h MET 197 N 0.00 1.02 -0.40 1.72 2.86 -1.81 -1.34 114.93 116.98 3krk h MET 197 Ca -0.00 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 3krk h MET 197 Cb 0.94 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3krk h MET 197 CO 0.04 0.84 -0.01 0.35 1.06 0.00 0.00 176.91 179.19 3krk h PHE 198 N 0.98 0.78 -0.45 -0.22 3.57 -1.72 -2.33 116.94 117.56 3krk h PHE 198 Ca 0.23 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3krk h PHE 198 Cb 0.18 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3krk h PHE 198 CO 0.01 0.79 0.09 0.00 -2.23 0.00 0.00 178.31 176.97 3krk h ALA 199 N 0.88 0.59 0.00 2.41 0.00 -1.14 -1.13 119.26 120.88 3krk h ALA 199 Ca 0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3krk h ALA 199 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3krk h ALA 199 CO 0.02 0.30 -0.73 0.74 0.00 0.00 0.00 179.25 179.58 3krk h PHE 200 N 0.60 0.00 -0.08 0.00 0.04 -1.33 -2.44 116.94 113.72 3krk h PHE 200 Ca 0.14 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3krk h PHE 200 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3krk h PHE 200 CO 0.02 0.73 0.04 0.35 -0.60 0.00 0.00 178.31 178.85 3krk h PHE 201 N 0.00 0.12 -0.51 -0.55 3.57 -1.23 0.64 116.94 118.98 3krk h PHE 201 Ca -0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3krk h PHE 201 Cb 1.36 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 3krk h PHE 201 CO 0.00 0.19 0.07 0.00 -2.23 0.00 0.00 178.31 176.34 3krk h ALA 202 N 0.92 0.54 0.12 2.41 0.00 -1.15 0.22 119.26 122.31 3krk h ALA 202 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3krk h ALA 202 Cb 0.12 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3krk h ALA 202 CO -0.00 -0.34 -0.06 0.37 0.00 0.00 0.00 179.25 179.23 3krk h GLN 203 N 0.20 -0.15 0.39 0.00 4.15 -1.28 -2.19 115.11 116.22 3krk h GLN 203 Ca 0.26 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3krk h GLN 203 Cb 0.36 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 3krk h GLN 203 CO -0.36 0.16 -0.42 1.25 -1.93 0.00 0.00 178.83 177.53 3krk h HIS 204 N -0.47 -1.14 -0.18 3.99 2.76 -0.70 -2.33 115.15 117.08 3krk h HIS 204 Ca -0.02 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3krk h HIS 204 Cb 0.38 0.45 -0.06 0.00 1.55 0.00 0.00 27.41 29.73 3krk h HIS 204 CO 0.03 -0.57 -0.18 0.35 -1.30 0.00 0.00 177.93 176.26 3krk h PHE 205 N -0.83 -0.47 0.00 5.26 3.57 -0.64 -2.93 116.94 120.91 3krk h PHE 205 Ca -0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3krk h PHE 205 Cb 0.75 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3krk h PHE 205 CO -0.24 -0.26 -0.17 1.79 -2.23 0.00 0.00 178.31 177.21 3krk h THR 206 N -0.20 0.38 0.00 4.41 1.35 -1.39 -3.07 112.91 114.39 3krk h THR 206 Ca 0.12 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3krk h THR 206 Cb 0.38 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3krk h THR 206 CO -0.30 0.16 0.00 1.41 -0.25 0.00 0.00 175.52 176.54 3krk n HIS 207 N -3.27 0.00 0.03 4.73 8.25 -0.88 -0.55 115.22 123.52 3krk n HIS 207 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3krk n HIS 207 Cb 0.43 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.41 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 0.01 0.00 -0.41 3.07 -1.65 -3.41 115.11 112.72 3krk h GLN 208 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3krk h GLN 208 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.57 3krk h GLN 208 CO 0.00 0.79 -0.84 1.97 0.09 0.00 0.00 178.83 180.84 3krk n PHE 209 N -3.23 0.00 -3.33 0.06 -1.74 -0.72 -4.74 117.46 103.76 3krk n PHE 209 Ca -0.07 0.00 -0.47 0.00 -0.56 0.00 0.00 57.45 56.35 3krk n PHE 209 Cb 0.99 -0.09 -0.02 0.00 1.52 0.00 0.00 39.48 41.88 3krk n PHE 209 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3krk s PHE 210 N -2.11 3.73 -0.55 2.97 0.08 0.28 -4.81 117.98 117.58 3krk s PHE 210 Ca 0.00 -1.96 0.04 0.00 0.12 0.00 0.00 56.93 55.14 3krk s PHE 210 Cb 0.05 -3.81 0.17 0.00 -0.57 0.00 0.00 43.02 38.86 3krk s PHE 210 CO 0.31 -0.99 0.41 0.15 -0.10 0.00 0.00 175.22 175.00 3krk s LYS 211 N 0.25 1.62 0.12 0.44 1.02 -1.26 -4.59 119.74 117.34 3krk s LYS 211 Ca 0.17 -2.67 -0.31 0.00 0.02 0.00 0.00 55.97 53.18 3krk s LYS 211 Cb -0.11 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.76 3krk s LYS 211 CO -0.08 -1.34 1.42 0.99 -0.92 0.00 0.00 175.35 175.43 3krk s THR 212 N -0.62 3.17 -1.14 2.17 2.01 -1.26 0.11 115.64 120.08 3krk s THR 212 Ca 0.29 0.84 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 3krk s THR 212 Cb -0.01 -3.54 0.12 0.00 0.01 0.00 0.00 72.50 69.08 3krk s THR 212 CO -0.18 0.06 1.44 -0.62 -0.69 0.00 0.00 174.62 174.64 3krk s ASP 213 N 1.12 6.84 0.45 3.53 -1.08 -0.57 -4.74 116.67 122.21 3krk s ASP 213 Ca 0.66 -2.43 0.31 0.00 -0.52 0.00 0.00 52.55 50.57 3krk s ASP 213 Cb -0.38 -2.47 1.50 0.00 -1.46 0.00 0.00 42.92 40.11 3krk s ASP 213 CO 0.30 -1.03 1.94 0.45 0.52 0.00 0.00 175.17 177.36 3krk h HIS 214 N 8.01 0.00 -0.40 -5.34 3.86 -1.86 -0.24 115.15 119.17 3krk h HIS 214 Ca 0.30 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.43 3krk h HIS 214 Cb 0.93 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3krk h HIS 214 CO 1.22 0.00 -0.07 0.87 0.86 0.00 0.00 177.93 180.81 3krk h LYS 215 N 0.00 0.68 0.05 2.45 1.57 -1.99 -3.29 116.57 116.03 3krk h LYS 215 Ca 0.00 -0.20 -0.33 0.00 -1.87 0.00 0.00 60.65 58.26 3krk h LYS 215 Cb 0.23 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3krk h LYS 215 CO 0.00 0.74 -1.89 0.54 -0.57 0.00 0.00 179.45 178.27 3krk n ARG 216 N -4.20 0.68 0.00 3.15 1.74 -0.20 -5.09 116.66 112.74 3krk n ARG 216 Ca 0.02 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3krk n ARG 216 Cb 0.32 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.76 3.68 0.29 -0.13 0.00 -0.64 -4.93 105.19 105.22 3krk n GLY 217 Ca -0.25 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.08 1.61 0.13 -1.89 -2.65 132.00 129.12 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 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 3krk n GLY 219 N -0.39 -0.40 3.51 1.56 0.00 -1.26 -4.87 105.19 103.34 3krk n GLY 219 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.89 2.60 0.11 1.61 0.08 -1.00 -1.22 117.98 118.27 3krk s PHE 220 Ca 0.28 -0.23 0.09 0.00 0.12 0.00 0.00 56.93 57.18 3krk s PHE 220 Cb 0.14 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3krk s PHE 220 CO 0.22 0.37 -0.22 -0.08 -0.10 0.00 0.00 175.22 175.41 3krk s THR 221 N -1.12 1.85 -1.16 0.64 -1.32 0.18 -1.52 115.64 113.19 3krk s THR 221 Ca 0.18 -1.60 0.23 0.00 -1.21 0.00 0.00 61.69 59.29 3krk s THR 221 Cb -0.11 -1.67 -0.08 0.00 -1.51 0.00 0.00 72.50 69.13 3krk s THR 221 CO 0.10 -0.03 1.15 0.54 -2.21 0.00 0.00 174.62 174.18 3krk n ARG 222 N 1.03 0.19 -2.70 7.08 1.74 0.29 -4.66 116.66 119.64 3krk n ARG 222 Ca -0.19 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.32 3krk n ARG 222 Cb 0.53 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.48 3.66 0.00 -0.13 0.00 -1.25 -4.83 105.19 104.12 3krk n GLY 223 Ca 0.06 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.21 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 5.57 0.00 -0.01 0.99 4.77 -1.26 -1.44 117.00 125.62 3krk n LEU 224 Ca 0.40 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 3krk n LEU 224 Cb 0.41 -0.31 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 3krk n LEU 224 CO 0.70 -0.15 0.67 0.61 -1.33 0.00 0.00 177.39 177.89 3krk n GLY 225 N 0.03 -1.30 4.29 -0.72 0.00 -1.26 -4.98 105.19 101.24 3krk n GLY 225 Ca 0.07 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3krk n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krk n HIS 226 N -1.44 -1.45 -1.37 1.61 8.25 -0.52 -4.77 115.22 115.53 3krk n HIS 226 Ca 0.07 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 3krk n HIS 226 Cb 0.33 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.67 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 -1.71 -0.60 3.34 -1.41 0.00 -1.26 -4.33 105.19 99.22 3krk n GLY 227 Ca -0.08 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 3krk n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3krk n VAL 228 N 4.87 4.23 0.82 1.61 0.31 -1.26 -4.54 118.33 124.37 3krk n VAL 228 Ca 0.00 -4.57 0.08 0.00 -0.01 0.00 0.00 64.34 59.85 3krk n VAL 228 Cb 0.00 -2.44 -0.10 0.00 -0.91 0.00 0.00 33.84 30.39 3krk n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3krk n ASP 229 N 5.54 0.84 -1.46 4.52 5.68 -1.26 -4.95 116.55 125.45 3krk n ASP 229 Ca 0.39 -0.90 -0.12 0.00 -0.50 0.00 0.00 54.79 53.66 3krk n ASP 229 Cb 0.42 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.42 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 -1.44 -1.71 0.29 -2.12 4.32 -1.26 -4.91 117.00 110.17 3krk n LEU 230 Ca 0.03 -0.05 0.16 0.00 -0.02 0.00 0.00 56.01 56.13 3krk n LEU 230 Cb 0.28 -1.88 0.90 0.00 -1.62 0.00 0.00 43.42 41.10 3krk n LEU 230 CO 0.36 -0.05 1.07 -0.55 -1.22 0.00 0.00 177.39 177.00 3krk h ASN 231 N -0.21 0.00 0.64 -1.43 7.08 -1.89 -0.96 115.58 118.81 3krk h ASN 231 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 3krk h ASN 231 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 3krk h ASN 231 CO 0.33 0.05 0.00 0.00 -2.08 0.00 0.00 177.43 175.72 3krk n HIS 232 N -3.53 0.39 -0.08 4.14 1.44 -1.26 0.48 115.22 116.80 3krk n HIS 232 Ca -0.02 0.15 -0.13 0.00 -2.01 0.00 0.00 57.72 55.71 3krk n HIS 232 Cb 0.16 -0.74 -0.07 0.00 0.12 0.00 0.00 29.99 29.45 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 -1.86 0.95 0.73 0.61 5.41 -0.75 -1.76 119.36 122.70 3krk n ILE 233 Ca 0.03 -0.34 0.10 0.00 1.00 0.00 0.00 62.75 63.54 3krk n ILE 233 Cb 0.21 -1.21 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 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 -3.14 0.00 0.00 1.39 4.01 -0.44 -2.70 117.16 116.28 3krk n TYR 234 Ca -0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 3krk n TYR 234 Cb 0.80 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.44 0.22 0.22 2.72 0.00 0.18 -3.61 105.19 106.35 3krk n GLY 235 Ca 0.02 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 0.72 -6.17 1.61 4.57 -1.80 -3.43 114.58 110.09 3krk h GLU 236 Ca 0.00 -0.57 -0.56 0.00 -1.18 0.00 0.00 59.36 57.05 3krk h GLU 236 Cb 0.00 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 3krk h GLU 236 CO 0.00 1.18 -0.54 0.95 -1.18 0.00 0.00 179.01 179.42 3krk s THR 237 N -3.78 4.66 0.30 0.32 -4.23 -1.26 -5.02 115.64 106.63 3krk s THR 237 Ca -0.09 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3krk s THR 237 Cb 0.09 -3.39 0.23 0.00 1.34 0.00 0.00 72.50 70.77 3krk s THR 237 CO 0.89 -0.12 1.94 0.25 -0.54 0.00 0.00 174.62 177.04 3krk h LEU 238 N 2.31 0.85 -0.64 4.79 5.85 -1.94 -0.52 115.31 126.01 3krk h LEU 238 Ca -0.48 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.20 3krk h LEU 238 Cb 1.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3krk h LEU 238 CO 0.64 0.67 0.40 -0.78 -0.34 0.00 0.00 178.44 179.04 3krk h ASP 239 N 0.97 0.67 -0.12 1.25 3.58 -1.99 -0.74 116.42 120.04 3krk h ASP 239 Ca 0.25 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.50 3krk h ASP 239 Cb 0.00 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3krk h ASP 239 CO -0.04 0.47 -0.66 -0.09 -2.88 0.00 0.00 179.24 176.03 3krk h ARG 240 N 0.80 0.75 0.06 0.28 2.43 -1.83 -2.96 114.38 113.91 3krk h ARG 240 Ca 0.25 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3krk h ARG 240 Cb -0.02 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3krk h ARG 240 CO -0.09 1.16 -0.05 0.37 -1.51 0.00 0.00 179.97 179.85 3krk h GLN 241 N 0.54 -0.12 0.00 0.20 4.15 -0.90 -2.80 115.11 116.19 3krk h GLN 241 Ca -0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3krk h GLN 241 Cb 1.27 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 3krk h GLN 241 CO 0.14 -0.08 -0.08 0.45 -1.93 0.00 0.00 178.83 177.32 3krk h HIS 242 N -0.12 0.00 0.00 3.99 3.86 -1.17 -0.83 115.15 120.87 3krk h HIS 242 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 3krk h HIS 242 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3krk h HIS 242 CO -0.09 0.08 -0.65 0.87 0.86 0.00 0.00 177.93 179.00 3krk h LYS 243 N 0.00 0.00 0.00 2.45 1.57 -1.33 -3.26 116.57 116.00 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3krk h LYS 243 CO 0.01 0.65 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.93 3krk h LEU 244 N 0.00 0.00-10.02 2.94 3.38 -0.93 -3.45 115.31 107.22 3krk h LEU 244 Ca -0.01 -0.08 -0.48 0.00 0.09 0.00 0.00 57.88 57.41 3krk h LEU 244 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3krk h LEU 244 CO 0.08 0.04 0.15 -0.13 0.09 0.00 0.00 178.44 178.68 3krk s ARG 245 N -3.23 4.06 0.19 1.13 0.52 -0.71 -0.74 118.95 120.17 3krk s ARG 245 Ca 0.05 0.77 0.15 0.00 -0.52 0.00 0.00 55.73 56.18 3krk s ARG 245 Cb 0.10 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 3krk s ARG 245 CO 0.72 0.12 1.24 1.25 0.02 0.00 0.00 175.30 178.64 3krk h LEU 246 N 2.18 0.00 2.45 2.53 5.85 -1.39 -3.40 115.31 123.53 3krk h LEU 246 Ca -0.48 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.83 3krk h LEU 246 Cb 1.18 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3krk h LEU 246 CO 0.64 0.59 -0.48 0.49 -0.34 0.00 0.00 178.44 179.34 3krk n PHE 247 N -3.14 -0.77 -4.13 1.25 3.72 -1.26 -4.99 117.46 108.14 3krk n PHE 247 Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 3krk n PHE 247 Cb 0.79 -3.76 -0.16 0.00 -0.94 0.00 0.00 39.48 35.40 3krk n PHE 247 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3krk s LYS 248 N -4.70 0.82 -2.02 -1.08 2.20 -1.26 -4.86 119.74 108.84 3krk s LYS 248 Ca 0.00 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 3krk s LYS 248 Cb 0.00 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 3krk s LYS 248 CO 0.00 -0.10 0.00 -0.25 -0.36 0.00 0.00 175.35 174.64 3krk n ASP 249 N 4.15 -5.04 0.00 1.43 8.00 -1.26 -2.01 116.55 121.82 3krk n ASP 249 Ca -0.23 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3krk n ASP 249 Cb 0.51 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 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 -0.35 0.74 3.93 0.44 0.00 -1.23 -4.76 105.19 103.96 3krk n GLY 250 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.11 2.48 0.10 1.61 1.02 -0.85 -3.99 119.74 119.99 3krk s LYS 251 Ca 0.00 -0.19 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 3krk s LYS 251 Cb 0.00 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 3krk s LYS 251 CO 0.00 -1.01 0.32 -0.51 -0.92 0.00 0.00 175.35 173.22 3krk s LEU 252 N -5.13 4.31 0.72 3.17 1.43 -1.26 -1.16 118.68 120.76 3krk s LEU 252 Ca 0.58 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.04 3krk s LEU 252 Cb -0.11 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.05 3krk s LEU 252 CO 0.45 0.12 1.24 -0.54 0.23 0.00 0.00 176.35 177.84 3krk s LYS 253 N -2.42 2.17 0.12 1.70 1.02 0.08 -4.57 119.74 117.84 3krk s LYS 253 Ca 0.37 1.87 -0.24 0.00 0.02 0.00 0.00 55.97 57.98 3krk s LYS 253 Cb -0.13 -1.83 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 3krk s LYS 253 CO 0.24 -1.83 0.67 1.52 -0.92 0.00 0.00 175.35 175.02 3krk s TYR 254 N -1.81 -0.50 0.29 3.18 -0.85 -1.26 -4.11 117.35 112.29 3krk s TYR 254 Ca 0.77 0.32 0.10 0.00 -0.52 0.00 0.00 57.07 57.74 3krk s TYR 254 Cb -0.32 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 3krk s TYR 254 CO 0.44 -0.77 -0.09 1.14 -1.52 0.00 0.00 175.55 174.75 3krk s GLN 255 N -3.55 1.98 -0.32 -3.49 -2.07 -0.42 -4.76 119.66 107.03 3krk s GLN 255 Ca 0.02 -1.65 0.03 0.00 -1.82 0.00 0.00 55.36 51.94 3krk s GLN 255 Cb -0.01 -1.93 0.09 0.00 -1.09 0.00 0.00 33.01 30.06 3krk s GLN 255 CO -0.12 0.30 0.00 0.08 -1.32 0.00 0.00 175.29 174.24 3krk s VAL 256 N -2.45 2.33 -0.22 3.63 1.01 -1.26 -0.97 120.40 122.48 3krk s VAL 256 Ca 0.31 -2.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.17 3krk s VAL 256 Cb -0.04 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3krk s VAL 256 CO 0.18 -0.40 0.03 -0.63 0.00 0.00 0.00 175.10 174.27 3krk s ILE 257 N 0.99 4.09 -1.51 2.22 1.01 -0.15 -4.57 121.20 123.28 3krk s ILE 257 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 3krk s ILE 257 Cb -0.20 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3krk s ILE 257 CO -0.07 0.40 0.26 0.61 0.00 0.00 0.00 174.94 176.15 3krk n GLY 258 N 4.47 -0.40 3.07 6.18 0.00 -1.26 -1.30 105.19 115.96 3krk n GLY 258 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.23 1.08 3.65 -0.02 0.00 -1.26 -5.02 105.19 102.40 3krk n GLY 259 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.06 3.30 -0.17 1.61 0.41 -0.42 -5.07 118.70 118.29 3krk s GLU 260 Ca 0.00 -0.40 -0.26 0.00 -0.41 0.00 0.00 54.97 53.90 3krk s GLU 260 Cb 0.00 -2.91 -0.01 0.00 -1.78 0.00 0.00 34.13 29.43 3krk s GLU 260 CO 0.00 0.55 0.86 0.08 -0.49 0.00 0.00 175.26 176.26 3krk s VAL 261 N -0.45 4.85 0.27 2.63 1.01 -1.26 -0.98 120.40 126.47 3krk s VAL 261 Ca 0.08 1.70 0.05 0.00 0.00 0.00 0.00 61.98 63.81 3krk s VAL 261 Cb -0.12 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 3krk s VAL 261 CO 0.02 0.00 -0.01 -0.31 0.00 0.00 0.00 175.10 174.81 3krk s TYR 262 N 2.25 1.81 0.76 5.22 2.02 -0.14 -5.00 117.35 124.27 3krk s TYR 262 Ca 0.39 -0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 56.10 3krk s TYR 262 Cb -0.17 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 3krk s TYR 262 CO 0.12 0.09 0.94 -2.30 -1.57 0.00 0.00 175.55 172.83 3krk n PRO 263 N -0.55 0.33 -1.71 -1.71 -0.02 -1.26 -1.30 135.00 128.78 3krk n PRO 263 Ca -0.05 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 3krk n PRO 263 Cb 0.64 -2.21 0.22 0.00 -0.02 0.00 0.00 33.50 32.13 3krk n PRO 263 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3krk s PRO 264 N -3.51 -0.20 0.31 0.52 0.04 -1.26 -4.10 135.00 126.80 3krk s PRO 264 Ca 0.71 -0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 3krk s PRO 264 Cb -0.32 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3krk s PRO 264 CO 0.53 -2.97 0.59 0.99 0.04 0.00 0.00 177.00 176.17 3krk s THR 265 N -3.72 4.99 0.13 1.26 2.01 -1.26 0.04 115.64 119.09 3krk s THR 265 Ca 0.76 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.69 3krk s THR 265 Cb -0.03 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3krk s THR 265 CO 0.54 -0.37 1.76 0.58 -0.69 0.00 0.00 174.62 176.45 3krk h VAL 266 N 1.28 0.99 -0.76 3.82 2.07 -1.33 -2.19 116.25 120.12 3krk h VAL 266 Ca -0.48 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3krk h VAL 266 Cb 1.19 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3krk h VAL 266 CO 0.66 0.04 0.48 0.50 0.02 0.00 0.00 177.57 179.27 3krk h LYS 267 N 0.24 0.90 -0.37 1.57 1.63 -1.86 0.14 116.57 118.83 3krk h LYS 267 Ca 0.10 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.70 3krk h LYS 267 Cb 0.03 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3krk h LYS 267 CO -0.07 0.60 -0.35 0.22 -3.45 0.00 0.00 179.45 176.40 3krk h ASP 268 N 0.93 0.88 0.06 4.20 3.58 -1.95 -3.33 116.42 120.79 3krk h ASP 268 Ca 0.31 -0.38 -0.15 0.00 0.42 0.00 0.00 57.03 57.23 3krk h ASP 268 Cb 0.03 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3krk h ASP 268 CO -0.12 1.14 -2.09 0.35 -2.88 0.00 0.00 179.24 175.64 3krk n THR 269 N -4.06 0.59 -2.14 2.25 -2.24 -0.83 -4.99 114.28 102.86 3krk n THR 269 Ca -0.01 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 60.98 3krk n THR 269 Cb 0.51 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.48 -1.13 -3.07 -0.78 6.02 0.49 -4.86 117.38 111.58 3krk n GLN 270 Ca -0.15 0.75 -0.41 0.00 -0.01 0.00 0.00 57.00 57.17 3krk n GLN 270 Cb 0.80 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 26.98 3krk n GLN 270 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3krk s VAL 271 N -2.69 4.88 0.17 5.09 1.01 -1.24 -5.03 120.40 122.59 3krk s VAL 271 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 61.98 62.53 3krk s VAL 271 Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 3krk s VAL 271 CO 0.00 -0.23 1.67 -1.83 0.00 0.00 0.00 175.10 174.71 3krk s GLU 272 N 2.74 4.17 0.17 2.72 1.03 -1.26 -4.72 118.70 123.55 3krk s GLU 272 Ca 0.27 2.49 0.04 0.00 0.03 0.00 0.00 54.97 57.79 3krk s GLU 272 Cb -0.14 -3.20 -0.05 0.00 -0.80 0.00 0.00 34.13 29.94 3krk s GLU 272 CO 0.13 -0.70 -0.07 -1.64 -1.33 0.00 0.00 175.26 171.65 3krk s MET 273 N 1.44 1.12 -0.35 -4.83 -1.94 -1.26 -4.76 119.30 108.71 3krk s MET 273 Ca 0.73 -1.51 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 3krk s MET 273 Cb -0.46 -0.56 -0.00 0.00 2.01 0.00 0.00 34.83 35.82 3krk s MET 273 CO 0.32 0.01 0.51 0.42 -0.01 0.00 0.00 175.02 176.27 3krk s ILE 274 N -3.40 5.01 -0.04 2.53 1.01 -0.50 -5.05 121.20 120.76 3krk s ILE 274 Ca 0.20 0.32 -0.05 0.00 0.00 0.00 0.00 60.65 61.12 3krk s ILE 274 Cb 0.04 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3krk s ILE 274 CO 0.02 -0.23 0.14 -0.31 0.00 0.00 0.00 174.94 174.57 3krk s TYR 275 N 2.40 -0.12 0.45 3.97 1.51 -1.26 -4.65 117.35 119.65 3krk s TYR 275 Ca 0.19 0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 56.28 3krk s TYR 275 Cb -0.15 0.03 -0.08 0.00 -0.11 0.00 0.00 41.96 41.65 3krk s TYR 275 CO 0.13 -0.12 1.40 -2.14 -1.11 0.00 0.00 175.55 173.72 3krk s PRO 276 N -0.22 3.70 0.45 -1.71 0.02 -1.26 -4.90 135.00 131.09 3krk s PRO 276 Ca -0.03 2.36 0.25 0.00 0.02 0.00 0.00 61.00 63.60 3krk s PRO 276 Cb -0.02 -2.65 1.28 0.00 0.02 0.00 0.00 34.50 33.12 3krk s PRO 276 CO 0.00 -0.78 1.79 -1.35 -0.33 0.00 0.00 177.00 176.33 3krk h PRO 277 N 2.33 0.23 0.00 5.54 0.11 -2.03 -2.45 132.00 135.73 3krk h PRO 277 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3krk h PRO 277 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3krk h PRO 277 CO 0.61 0.15 0.00 1.12 -0.21 0.00 0.00 178.00 179.67 3krk h HIS 278 N 0.24 0.00 -2.49 0.65 2.07 -2.04 -3.46 115.15 110.12 3krk h HIS 278 Ca 0.57 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 57.55 3krk h HIS 278 Cb 1.75 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.77 3krk h HIS 278 CO -0.00 0.00 1.07 -0.89 -3.07 0.00 0.00 177.93 175.04 3krk n ILE 279 N -2.46 0.28 -1.70 6.12 2.08 -0.92 -4.92 119.36 117.84 3krk n ILE 279 Ca 0.02 -0.05 -0.43 0.00 0.56 0.00 0.00 62.75 62.85 3krk n ILE 279 Cb 0.29 -2.05 -0.02 0.00 -0.75 0.00 0.00 39.64 37.11 3krk n ILE 279 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3krk n PRO 280 N 5.23 2.26 -0.33 0.38 -0.02 -1.26 -4.86 135.00 136.40 3krk n PRO 280 Ca 0.18 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.68 3krk n PRO 280 Cb 0.36 -2.48 0.42 0.00 -0.02 0.00 0.00 33.50 31.78 3krk n PRO 280 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3krk h GLU 281 N 4.07 0.03 0.00 -0.52 4.81 -1.97 -0.08 114.58 120.93 3krk h GLU 281 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3krk h GLU 281 Cb 1.26 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3krk h GLU 281 CO 0.74 0.02 -0.20 -1.71 -0.73 0.00 0.00 179.01 177.13 3krk n ASN 282 N -5.36 0.49 -0.89 1.04 5.15 -1.26 -2.38 115.26 112.06 3krk n ASN 282 Ca 0.29 0.34 0.11 0.00 -0.60 0.00 0.00 54.58 54.73 3krk n ASN 282 Cb 0.98 -0.36 0.28 0.00 -0.53 0.00 0.00 39.78 40.15 3krk n ASN 282 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3krk n LEU 283 N -1.88 2.66 -4.03 1.20 4.77 -0.06 -4.62 117.00 115.04 3krk n LEU 283 Ca 0.06 -1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 54.50 3krk n LEU 283 Cb 0.39 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3krk n LEU 283 CO 0.31 0.56 2.00 0.00 -1.33 0.00 0.00 177.39 178.93 3krk n GLN 284 N 0.99 3.36 -2.13 3.23 6.02 -1.00 -4.82 117.38 123.02 3krk n GLN 284 Ca 0.18 -3.37 -0.41 0.00 -0.01 0.00 0.00 57.00 53.39 3krk n GLN 284 Cb 0.49 -3.09 -0.03 0.00 1.02 0.00 0.00 30.24 28.64 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 1.63 3.14 -0.24 1.08 0.08 -1.26 -0.98 117.98 121.43 3krk s PHE 285 Ca 0.43 1.21 -0.07 0.00 0.12 0.00 0.00 56.93 58.63 3krk s PHE 285 Cb 0.07 -3.69 -0.03 0.00 -0.57 0.00 0.00 43.02 38.81 3krk s PHE 285 CO -0.01 -2.11 0.06 0.00 -0.10 0.00 0.00 175.22 173.06 3krk s ALA 286 N -0.25 3.14 0.34 5.36 0.00 0.11 -4.75 121.76 125.70 3krk s ALA 286 Ca 0.55 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.45 3krk s ALA 286 Cb -0.39 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3krk s ALA 286 CO 0.43 -0.43 0.18 0.14 0.00 0.00 0.00 175.76 176.08 3krk s VAL 287 N 1.51 0.32 0.21 0.00 -7.23 -1.26 -4.06 120.40 109.88 3krk s VAL 287 Ca 0.06 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 3krk s VAL 287 Cb -0.15 -2.46 0.20 0.00 0.56 0.00 0.00 36.38 34.53 3krk s VAL 287 CO 0.03 0.00 1.65 1.23 -0.31 0.00 0.00 175.10 177.70 3krk h GLY 288 N 2.08 0.58 -6.43 2.32 0.00 -1.40 -3.41 103.07 96.81 3krk h GLY 288 Ca -0.32 0.12 -0.60 0.00 0.00 0.00 0.00 47.33 46.53 3krk h GLY 288 CO 0.49 -0.21 -0.41 1.62 0.00 0.00 0.00 176.54 178.04 3krk s GLN 289 N -6.18 4.17 0.55 4.80 2.00 -0.72 -4.06 119.66 120.23 3krk s GLN 289 Ca -0.14 -0.09 0.23 0.00 -2.00 0.00 0.00 55.36 53.37 3krk s GLN 289 Cb 0.19 -3.47 1.52 0.00 0.80 0.00 0.00 33.01 32.04 3krk s GLN 289 CO 0.73 0.16 2.17 0.93 -0.50 0.00 0.00 175.29 178.78 3krk h GLU 290 N 7.02 0.00 -0.12 1.67 3.07 -1.86 -3.01 114.58 121.36 3krk h GLU 290 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 3krk h GLU 290 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3krk h GLU 290 CO 0.72 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 179.66 3krk n VAL 291 N -4.20 0.12 0.59 3.13 0.24 -1.26 -1.41 118.33 115.54 3krk n VAL 291 Ca -0.01 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3krk n VAL 291 Cb 0.16 1.15 0.46 0.00 -1.47 0.00 0.00 33.84 34.14 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 1.12 0.60 0.68 6.34 3.01 -1.14 -2.06 117.46 126.02 3krk n PHE 292 Ca 0.16 0.20 0.10 0.00 1.01 0.00 0.00 57.45 58.93 3krk n PHE 292 Cb 0.54 -0.83 0.44 0.00 -0.01 0.00 0.00 39.48 39.62 3krk n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3krk n GLY 293 N 0.70 -1.23 0.33 1.37 0.00 -1.26 -3.61 105.19 101.48 3krk n GLY 293 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 3krk n GLY 293 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krk h LEU 294 N 0.00 1.04 -7.88 0.99 5.85 -1.68 -3.36 115.31 110.28 3krk h LEU 294 Ca 0.00 -0.15 -0.53 0.00 0.84 0.00 0.00 57.88 58.04 3krk h LEU 294 Cb 0.37 -0.27 -0.35 0.00 0.37 0.00 0.00 40.66 40.78 3krk h LEU 294 CO 0.00 0.90 -0.81 -0.69 -0.34 0.00 0.00 178.44 177.50 3krk s VAL 295 N -5.65 1.17 0.59 1.05 1.01 -1.24 -0.16 120.40 117.17 3krk s VAL 295 Ca -0.13 -0.44 0.29 0.00 0.00 0.00 0.00 61.98 61.70 3krk s VAL 295 Cb 0.15 -1.11 0.35 0.00 0.00 0.00 0.00 36.38 35.77 3krk s VAL 295 CO 0.83 0.38 2.21 -0.65 0.00 0.00 0.00 175.10 177.86 3krk h PRO 296 N 7.53 0.00 -0.05 2.72 0.11 -1.83 -1.45 132.00 139.02 3krk h PRO 296 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3krk h PRO 296 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3krk h PRO 296 CO 0.46 0.00 -0.36 0.78 -0.21 0.00 0.00 178.00 178.67 3krk h GLY 297 N 0.00 0.12 1.12 -0.55 0.00 -1.94 -0.98 103.07 100.83 3krk h GLY 297 Ca 0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 47.33 47.01 3krk h GLY 297 CO -0.00 0.09 -0.98 1.41 0.00 0.00 0.00 176.54 177.06 3krk h LEU 298 N 0.09 0.83 -1.77 3.11 3.38 -1.55 -3.21 115.31 116.21 3krk h LEU 298 Ca 0.01 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 3krk h LEU 298 Cb 0.68 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3krk h LEU 298 CO 0.05 1.49 -0.13 0.24 0.09 0.00 0.00 178.44 180.18 3krk h MET 299 N 0.27 0.00 0.13 1.13 2.86 -1.33 0.18 114.93 118.17 3krk h MET 299 Ca -0.13 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3krk h MET 299 Cb 1.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 3krk h MET 299 CO 0.19 0.13 -0.15 1.98 1.06 0.00 0.00 176.91 180.12 3krk h MET 300 N 0.00 -0.30 -0.14 1.72 1.85 -1.19 0.11 114.93 116.98 3krk h MET 300 Ca -0.00 0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 58.96 3krk h MET 300 Cb 0.23 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 3krk h MET 300 CO 0.02 -0.20 -0.56 1.88 -0.40 0.00 0.00 176.91 177.65 3krk h TYR 301 N -0.31 0.54 -0.85 1.39 0.05 -1.46 -0.53 116.97 115.79 3krk h TYR 301 Ca 0.01 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.60 3krk h TYR 301 Cb 0.31 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 3krk h TYR 301 CO -0.14 0.89 0.55 0.00 -1.05 0.00 0.00 178.16 178.41 3krk h ALA 302 N 1.07 1.08 -0.24 3.88 0.00 -0.52 -0.28 119.26 124.25 3krk h ALA 302 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3krk h ALA 302 Cb 1.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3krk h ALA 302 CO 0.10 0.50 -0.34 1.15 0.00 0.00 0.00 179.25 180.66 3krk h THR 303 N 1.16 1.31 -0.32 0.00 2.02 -0.54 -2.21 112.91 114.33 3krk h THR 303 Ca 0.31 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.97 3krk h THR 303 Cb -0.11 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3krk h THR 303 CO -0.07 0.48 0.18 0.40 0.37 0.00 0.00 175.52 176.88 3krk h ILE 304 N 0.37 1.02 -0.22 3.11 2.04 -0.90 -2.11 117.51 120.82 3krk h ILE 304 Ca 0.03 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3krk h ILE 304 Cb 0.92 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3krk h ILE 304 CO 0.08 0.07 -0.38 -0.50 0.00 0.00 0.00 178.15 177.42 3krk h TRP 305 N 0.36 0.59 -0.25 1.37 4.06 -1.06 -1.48 115.95 119.54 3krk h TRP 305 Ca 0.13 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3krk h TRP 305 Cb 0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 3krk h TRP 305 CO -0.08 0.81 0.11 1.25 -3.56 0.00 0.00 178.44 176.96 3krk h LEU 306 N 0.42 0.34 -0.54 -4.49 6.46 -1.27 -1.43 115.31 114.79 3krk h LEU 306 Ca 0.04 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 3krk h LEU 306 Cb 0.85 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 3krk h LEU 306 CO 0.07 0.40 0.28 0.03 -0.62 0.00 0.00 178.44 178.60 3krk h ARG 307 N 0.26 0.53 -0.63 1.25 3.08 -1.29 -2.42 114.38 115.16 3krk h ARG 307 Ca 0.09 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3krk h ARG 307 Cb 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3krk h ARG 307 CO -0.01 0.35 0.34 1.49 -1.07 0.00 0.00 179.97 181.07 3krk h GLU 308 N 0.54 0.61 -0.29 0.04 4.57 -1.07 0.99 114.58 119.97 3krk h GLU 308 Ca 0.24 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3krk h GLU 308 Cb 0.14 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3krk h GLU 308 CO -0.16 0.40 0.17 1.25 -1.18 0.00 0.00 179.01 179.50 3krk h HIS 309 N 0.63 0.37 0.00 0.92 2.76 -0.95 -0.60 115.15 118.29 3krk h HIS 309 Ca 0.28 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 3krk h HIS 309 Cb 0.18 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3krk h HIS 309 CO -0.09 0.27 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.55 3krk h ASN 310 N 0.37 0.00 -0.31 3.26 2.35 -1.14 -0.29 115.58 119.81 3krk h ASN 310 Ca 0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3krk h ASN 310 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3krk h ASN 310 CO -0.02 0.36 -0.11 -0.09 -1.65 0.00 0.00 177.43 175.92 3krk h ARG 311 N 0.00 0.62 -0.42 0.81 2.43 -0.41 -2.38 114.38 115.04 3krk h ARG 311 Ca -0.00 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 3krk h ARG 311 Cb 0.73 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3krk h ARG 311 CO 0.05 0.82 -0.13 0.28 -1.51 0.00 0.00 179.97 179.48 3krk h VAL 312 N 0.39 1.26 -0.48 0.20 2.07 -0.74 -2.05 116.25 116.90 3krk h VAL 312 Ca 0.08 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.50 3krk h VAL 312 Cb 0.61 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3krk h VAL 312 CO 0.04 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.12 3krk h ASP 314 N 0.22 0.49 -0.05 0.00 3.32 -1.00 0.80 116.42 120.21 3krk h ASP 314 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3krk h ASP 314 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3krk h ASP 314 CO -0.31 0.34 0.03 0.40 -1.72 0.00 0.00 179.24 177.98 3krk h ILE 315 N 0.62 1.02 -0.23 0.35 1.08 -0.93 -2.35 117.51 117.07 3krk h ILE 315 Ca 0.23 -0.04 -0.10 0.00 -0.39 0.00 0.00 64.86 64.57 3krk h ILE 315 Cb 0.08 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3krk h ILE 315 CO -0.13 0.02 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.02 3krk h LEU 316 N 0.06 0.45 -1.00 1.44 3.38 -0.83 -1.89 115.31 116.92 3krk h LEU 316 Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3krk h LEU 316 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3krk h LEU 316 CO -0.00 0.71 0.15 0.50 0.09 0.00 0.00 178.44 179.88 3krk h LYS 317 N 0.39 0.87 -0.09 1.13 3.64 -0.73 0.31 116.57 122.09 3krk h LYS 317 Ca 0.06 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3krk h LYS 317 Cb 0.67 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3krk h LYS 317 CO 0.05 0.77 0.05 0.37 -2.27 0.00 0.00 179.45 178.43 3krk h GLN 318 N 0.84 0.13 -0.08 1.90 5.75 -0.92 -2.53 115.11 120.20 3krk h GLN 318 Ca 0.19 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 3krk h GLN 318 Cb 0.29 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3krk h GLN 318 CO -0.00 0.16 -0.45 0.93 -2.65 0.00 0.00 178.83 176.81 3krk h GLU 319 N 0.07 0.20 -2.48 1.69 4.39 -1.06 -3.38 114.58 114.00 3krk h GLU 319 Ca 0.03 -0.10 -0.59 0.00 0.34 0.00 0.00 59.36 59.04 3krk h GLU 319 Cb 0.07 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.32 3krk h GLU 319 CO -0.01 0.61 -0.84 0.72 -1.16 0.00 0.00 179.01 178.34 3krk n HIS 320 N -3.99 0.89 0.33 4.33 8.25 0.11 -4.92 115.22 120.21 3krk n HIS 320 Ca -0.02 -3.73 0.21 0.00 -0.26 0.00 0.00 57.72 53.92 3krk n HIS 320 Cb 0.50 -0.19 1.11 0.00 1.12 0.00 0.00 29.99 32.54 3krk n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3krk h PRO 321 N 5.10 0.00 0.00 -0.41 0.13 -1.64 -2.33 132.00 132.84 3krk h PRO 321 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3krk h PRO 321 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3krk h PRO 321 CO 0.54 0.00 -0.17 1.05 -0.23 0.00 0.00 178.00 179.19 3krk h GLU 322 N 0.00 0.00 -7.18 0.86 9.09 -1.91 -3.47 114.58 111.97 3krk h GLU 322 Ca 0.01 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.91 3krk h GLU 322 Cb 0.11 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.30 3krk h GLU 322 CO -0.00 0.00 0.38 -1.58 0.05 0.00 0.00 179.01 177.86 3krk s TRP 323 N -3.19 2.70 0.62 2.06 0.52 -0.88 -5.07 118.94 115.70 3krk s TRP 323 Ca 0.07 1.54 0.05 0.00 0.02 0.00 0.00 56.10 57.79 3krk s TRP 323 Cb 0.09 -3.16 0.09 0.00 -1.15 0.00 0.00 33.47 29.35 3krk s TRP 323 CO 0.66 -1.56 0.85 0.20 0.02 0.00 0.00 176.95 177.13 3krk s GLY 324 N -2.50 1.76 0.15 0.98 0.00 -1.26 -4.95 107.32 101.50 3krk s GLY 324 Ca 0.67 -1.91 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 3krk s GLY 324 CO 0.38 -1.44 1.70 -1.80 0.00 0.00 0.00 173.10 171.94 3krk h ASP 325 N -0.06 -0.22 -0.06 1.64 3.58 -1.92 -2.22 116.42 117.15 3krk h ASP 325 Ca -0.34 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.20 3krk h ASP 325 Cb 1.28 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 3krk h ASP 325 CO 0.41 -0.07 0.00 -0.08 -2.88 0.00 0.00 179.24 176.62 3krk h GLU 326 N 0.03 0.02 -0.45 0.28 4.57 -1.95 -0.79 114.58 116.29 3krk h GLU 326 Ca 0.14 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 3krk h GLU 326 Cb 0.20 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3krk h GLU 326 CO -0.28 0.02 -0.15 0.37 -1.18 0.00 0.00 179.01 177.79 3krk h GLN 327 N 0.02 0.85 -0.75 1.92 4.15 -1.95 -1.79 115.11 117.56 3krk h GLN 327 Ca 0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 3krk h GLN 327 Cb 0.03 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 3krk h GLN 327 CO -0.05 0.94 0.46 -0.07 -1.93 0.00 0.00 178.83 178.19 3krk h LEU 328 N 0.75 0.90 -0.13 -2.39 3.38 -1.22 -1.60 115.31 115.00 3krk h LEU 328 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3krk h LEU 328 Cb 0.67 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3krk h LEU 328 CO 0.05 0.69 0.04 0.15 0.09 0.00 0.00 178.44 179.46 3krk h PHE 329 N 1.03 0.21 -0.33 1.13 3.57 -0.82 -2.25 116.94 119.47 3krk h PHE 329 Ca 0.27 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 3krk h PHE 329 Cb -0.05 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3krk h PHE 329 CO -0.01 0.31 -0.34 1.96 -2.23 0.00 0.00 178.31 178.00 3krk h GLN 330 N 0.04 0.81 -0.68 1.11 1.08 -1.25 -1.71 115.11 114.51 3krk h GLN 330 Ca 0.04 -0.44 -0.08 0.00 -1.45 0.00 0.00 58.65 56.73 3krk h GLN 330 Cb 0.20 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3krk h GLN 330 CO -0.00 1.07 0.12 1.15 -0.95 0.00 0.00 178.83 180.22 3krk h THR 331 N 0.59 1.26 -0.85 -0.54 2.02 -1.36 -1.74 112.91 112.30 3krk h THR 331 Ca 0.05 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.22 3krk h THR 331 Cb 0.93 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 3krk h THR 331 CO 0.08 0.39 0.56 0.28 0.37 0.00 0.00 175.52 177.20 3krk h SER 332 N 1.05 0.95 -0.16 4.18 0.02 -1.24 -1.83 113.55 116.52 3krk h SER 332 Ca 0.21 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3krk h SER 332 Cb 0.43 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3krk h SER 332 CO 0.01 0.68 0.08 -0.09 -1.14 0.00 0.00 176.83 176.36 3krk h ARG 333 N 1.12 0.22 -0.78 3.45 2.43 -0.82 -0.61 114.38 119.40 3krk h ARG 333 Ca 0.32 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 3krk h ARG 333 Cb -0.09 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 3krk h ARG 333 CO -0.08 0.27 0.46 -0.07 -1.51 0.00 0.00 179.97 179.03 3krk h LEU 334 N 0.13 0.69 -0.62 3.80 3.38 -1.21 -0.68 115.31 120.80 3krk h LEU 334 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3krk h LEU 334 Cb 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3krk h LEU 334 CO -0.01 0.43 0.31 0.40 0.09 0.00 0.00 178.44 179.66 3krk h ILE 335 N 0.82 1.21 -0.44 1.22 2.04 -1.04 -1.92 117.51 119.40 3krk h ILE 335 Ca 0.35 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 3krk h ILE 335 Cb 0.22 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3krk h ILE 335 CO -0.19 0.24 -0.18 -0.07 0.00 0.00 0.00 178.15 177.95 3krk h LEU 336 N 0.85 0.86 -0.20 1.44 4.07 -0.49 0.29 115.31 122.14 3krk h LEU 336 Ca 0.22 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.92 3krk h LEU 336 Cb 0.10 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 3krk h LEU 336 CO -0.03 1.03 -0.09 0.40 -1.08 0.00 0.00 178.44 178.67 3krk h ILE 337 N 0.75 0.71 -0.39 1.22 2.04 -1.02 -0.01 117.51 120.83 3krk h ILE 337 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3krk h ILE 337 Cb 0.70 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3krk h ILE 337 CO 0.05 0.00 0.14 1.23 0.00 0.00 0.00 178.15 179.57 3krk h GLY 338 N -0.06 0.50 0.66 5.37 0.00 -0.96 -1.27 103.07 107.31 3krk h GLY 338 Ca 0.11 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.42 3krk h GLY 338 CO -0.24 0.03 0.41 0.83 0.00 0.00 0.00 176.54 177.58 3krk h GLU 339 N 0.30 0.73 0.08 4.80 5.08 -0.72 -1.06 114.58 123.79 3krk h GLU 339 Ca 0.18 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3krk h GLU 339 Cb 0.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3krk h GLU 339 CO -0.18 0.48 -0.04 1.15 -1.00 0.00 0.00 179.01 179.43 3krk h THR 340 N 0.75 0.99 -0.90 1.13 2.02 -0.51 -0.96 112.91 115.43 3krk h THR 340 Ca 0.33 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3krk h THR 340 Cb 0.21 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3krk h THR 340 CO -0.19 0.06 0.52 0.40 0.37 0.00 0.00 175.52 176.68 3krk h ILE 341 N -0.22 1.25 -0.20 3.11 2.04 -1.10 0.19 117.51 122.59 3krk h ILE 341 Ca -0.01 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3krk h ILE 341 Cb 0.18 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3krk h ILE 341 CO 0.02 0.28 0.11 0.50 0.00 0.00 0.00 178.15 179.05 3krk h LYS 342 N 1.25 0.28 -0.27 2.37 1.63 -1.02 -2.16 116.57 118.65 3krk h LYS 342 Ca 0.32 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.04 3krk h LYS 342 Cb -0.01 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3krk h LYS 342 CO -0.06 0.26 -0.03 0.82 -3.45 0.00 0.00 179.45 177.00 3krk h ILE 343 N 0.22 1.27 -0.55 2.00 2.04 -0.85 -0.83 117.51 120.81 3krk h ILE 343 Ca 0.07 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.02 3krk h ILE 343 Cb 0.07 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3krk h ILE 343 CO -0.01 0.32 0.13 0.58 0.00 0.00 0.00 178.15 179.17 3krk h VAL 344 N 0.27 0.70 0.12 1.67 2.07 -0.92 0.10 116.25 120.26 3krk h VAL 344 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3krk h VAL 344 Cb 0.48 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3krk h VAL 344 CO 0.02 0.05 -0.06 0.40 0.02 0.00 0.00 177.57 178.00 3krk h ILE 345 N 0.27 0.80 0.00 4.57 2.04 -1.30 0.33 117.51 124.22 3krk h ILE 345 Ca 0.28 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3krk h ILE 345 Cb 0.38 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3krk h ILE 345 CO -0.35 0.23 -0.13 -0.33 0.00 0.00 0.00 178.15 177.58 3krk h GLU 346 N -0.93 0.00 0.00 2.37 5.08 -1.13 -2.40 114.58 117.57 3krk h GLU 346 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3krk h GLU 346 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3krk h GLU 346 CO 0.03 0.00 -1.61 -0.25 -1.00 0.00 0.00 179.01 176.18 3krk n ASP 347 N -3.04 1.04 -0.06 1.42 8.00 -0.06 -4.59 116.55 119.26 3krk n ASP 347 Ca 0.04 0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.57 3krk n ASP 347 Cb 0.53 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.35 0.00 -0.43 1.24 3.20 -1.19 -2.03 116.97 117.41 3krk h TYR 348 Ca -0.27 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.46 3krk h TYR 348 Cb 1.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3krk h TYR 348 CO -0.03 0.56 -0.26 0.28 -1.64 0.00 0.00 178.16 177.07 3krk h VAL 349 N -1.00 1.27 -0.42 1.81 2.07 -0.43 -1.79 116.25 117.76 3krk h VAL 349 Ca -0.01 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.17 3krk h VAL 349 Cb 0.57 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 3krk h VAL 349 CO -0.01 0.48 -0.11 -0.61 0.02 0.00 0.00 177.57 177.34 3krk h GLN 350 N 0.79 -0.01 0.41 1.57 5.75 -1.54 0.49 115.11 122.56 3krk h GLN 350 Ca 0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3krk h GLN 350 Cb 0.83 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.39 3krk h GLN 350 CO 0.07 -0.01 -0.19 1.25 -2.65 0.00 0.00 178.83 177.30 3krk h HIS 351 N -0.01 -0.50 -0.94 3.99 2.76 -1.26 -3.11 115.15 116.06 3krk h HIS 351 Ca 0.20 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.54 3krk h HIS 351 Cb 0.32 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.36 3krk h HIS 351 CO -0.38 -0.31 0.60 -0.07 -1.30 0.00 0.00 177.93 176.48 3krk h LEU 352 N -0.56 0.63 -0.53 0.26 3.38 -0.89 -2.74 115.31 114.87 3krk h LEU 352 Ca -0.06 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3krk h LEU 352 Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3krk h LEU 352 CO 0.09 0.27 -0.24 0.77 0.09 0.00 0.00 178.44 179.42 3krk h SER 353 N 0.64 0.97 0.00 -0.43 4.64 -0.85 -3.47 113.55 115.05 3krk h SER 353 Ca 0.50 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3krk h SER 353 Cb 0.91 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3krk h SER 353 CO -0.25 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 3krk n GLY 354 N -0.11 0.58 3.78 -0.77 0.00 -1.04 -5.01 105.19 102.62 3krk n GLY 354 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.51 2.68 -0.22 1.61 2.02 -1.26 -4.72 117.35 114.96 3krk s TYR 355 Ca 0.00 1.55 0.18 0.00 -0.37 0.00 0.00 57.07 58.43 3krk s TYR 355 Cb 0.00 -3.24 0.06 0.00 -0.40 0.00 0.00 41.96 38.38 3krk s TYR 355 CO 0.00 -1.55 1.26 0.45 -1.57 0.00 0.00 175.55 174.14 3krk h HIS 356 N 0.89 0.00 -2.98 2.71 3.86 -1.63 -3.45 115.15 114.54 3krk h HIS 356 Ca -0.49 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.19 3krk h HIS 356 Cb 1.25 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.74 3krk h HIS 356 CO 0.53 0.33 0.75 0.12 0.86 0.00 0.00 177.93 180.51 3krk s PHE 357 N -3.07 3.13 -0.49 2.45 5.36 -1.26 -4.77 117.98 119.33 3krk s PHE 357 Ca 0.02 0.93 -0.26 0.00 -0.96 0.00 0.00 56.93 56.65 3krk s PHE 357 Cb 0.08 -3.66 0.03 0.00 -0.34 0.00 0.00 43.02 39.12 3krk s PHE 357 CO 0.75 -2.35 1.01 0.15 -1.46 0.00 0.00 175.22 173.32 3krk s LYS 358 N 1.49 3.55 0.68 10.12 1.02 -1.26 -5.03 119.74 130.31 3krk s LYS 358 Ca 0.64 0.21 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 3krk s LYS 358 Cb -0.35 -3.95 0.01 0.00 -0.52 0.00 0.00 37.83 33.02 3krk s LYS 358 CO 0.29 -1.34 1.28 -0.51 -0.92 0.00 0.00 175.35 174.15 3krk s LEU 359 N 4.07 3.50 -0.01 3.17 1.43 -1.26 -5.01 118.68 124.57 3krk s LEU 359 Ca 0.40 2.59 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 3krk s LEU 359 Cb -0.09 -4.61 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 3krk s LEU 359 CO 0.27 -2.14 -0.08 -0.75 0.23 0.00 0.00 176.35 173.87 3krk s LYS 360 N -3.51 0.78 -0.45 1.70 2.20 -1.26 -4.67 119.74 114.53 3krk s LYS 360 Ca 0.81 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.95 3krk s LYS 360 Cb -0.36 -0.75 0.03 0.00 -1.51 0.00 0.00 37.83 35.24 3krk s LYS 360 CO 0.42 0.15 0.51 0.12 -0.36 0.00 0.00 175.35 176.19 3krk s PHE 361 N -0.02 3.13 -0.35 4.03 5.36 -1.26 -4.97 117.98 123.90 3krk s PHE 361 Ca 0.01 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.62 3krk s PHE 361 Cb -0.05 -3.13 0.16 0.00 -0.34 0.00 0.00 43.02 39.66 3krk s PHE 361 CO -0.00 -0.81 0.45 0.34 -1.46 0.00 0.00 175.22 173.74 3krk s ASP 362 N 2.08 0.21 0.43 6.13 2.15 -1.26 -5.02 116.67 121.38 3krk s ASP 362 Ca 0.14 -0.93 0.22 0.00 0.43 0.00 0.00 52.55 52.41 3krk s ASP 362 Cb -0.17 1.11 1.20 0.00 -0.30 0.00 0.00 42.92 44.76 3krk s ASP 362 CO 0.14 -0.27 1.78 -0.65 -0.17 0.00 0.00 175.17 175.99 3krk h PRO 363 N 7.46 0.30 -0.27 4.34 0.11 -1.94 -1.79 132.00 140.20 3krk h PRO 363 Ca -0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.17 3krk h PRO 363 Cb 1.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3krk h PRO 363 CO 0.20 0.20 0.39 0.93 -0.21 0.00 0.00 178.00 179.51 3krk h GLU 364 N 0.30 0.00 0.00 1.05 5.08 -1.96 -1.86 114.58 117.20 3krk h GLU 364 Ca 0.59 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.92 3krk h GLU 364 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 3krk h GLU 364 CO -0.24 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.60 3krk h LEU 365 N 0.00 0.00 -0.51 1.33 3.38 -1.74 -2.96 115.31 114.82 3krk h LEU 365 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3krk h LEU 365 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3krk h LEU 365 CO -0.00 0.10 -0.71 0.18 0.09 0.00 0.00 178.44 178.10 3krk n LEU 366 N -3.75 1.49 0.31 1.67 4.77 -0.70 -4.44 117.00 116.35 3krk n LEU 366 Ca -0.02 -0.61 0.18 0.00 -0.03 0.00 0.00 56.01 55.53 3krk n LEU 366 Cb 0.20 -0.01 1.03 0.00 -2.33 0.00 0.00 43.42 42.32 3krk n LEU 366 CO 0.30 0.31 1.15 -0.26 -1.33 0.00 0.00 177.39 177.56 3krk h PHE 367 N 1.24 0.00 -0.25 -1.77 0.04 -1.62 0.11 116.94 114.68 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 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 3krk h PHE 367 CO 0.00 0.00 0.00 0.27 -0.60 0.00 0.00 178.31 177.98 3krk n ASN 368 N -3.55 2.90 -4.88 2.17 6.94 -1.26 -5.00 115.26 112.58 3krk n ASN 368 Ca -0.03 -1.85 -0.22 0.00 -0.02 0.00 0.00 54.58 52.46 3krk n ASN 368 Cb 0.08 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.25 3.13 -0.10 -3.83 -1.52 0.39 -5.08 119.66 111.39 3krk s GLN 369 Ca 0.27 -0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 3krk s GLN 369 Cb 0.16 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 30.23 3krk s GLN 369 CO 0.23 0.43 1.06 -0.65 -0.25 0.00 0.00 175.29 176.11 3krk s GLN 370 N -3.75 4.40 -0.28 2.91 -0.21 -1.26 -4.99 119.66 116.48 3krk s GLN 370 Ca 0.33 1.46 -0.23 0.00 0.02 0.00 0.00 55.36 56.94 3krk s GLN 370 Cb -0.09 -3.55 0.10 0.00 1.00 0.00 0.00 33.01 30.47 3krk s GLN 370 CO 0.26 -0.37 0.86 0.12 -2.12 0.00 0.00 175.29 174.05 3krk s PHE 371 N 2.13 -0.68 -0.30 0.91 5.36 -1.26 -5.07 117.98 119.06 3krk s PHE 371 Ca 0.50 1.59 -0.13 0.00 -0.96 0.00 0.00 56.93 57.93 3krk s PHE 371 Cb -0.20 0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 3krk s PHE 371 CO 0.18 -0.33 0.27 -0.65 -1.46 0.00 0.00 175.22 173.23 3krk s GLN 372 N 0.57 3.78 -1.50 10.12 -1.52 -1.26 -4.99 119.66 124.86 3krk s GLN 372 Ca -0.01 -0.35 -0.10 0.00 -1.95 0.00 0.00 55.36 52.95 3krk s GLN 372 Cb -0.05 -3.72 0.01 0.00 -0.22 0.00 0.00 33.01 29.03 3krk s GLN 372 CO -0.06 -0.33 2.55 0.66 -0.25 0.00 0.00 175.29 177.87 3krk n TYR 373 N 5.18 2.81 -3.57 0.91 4.01 -1.26 -4.65 117.16 120.60 3krk n TYR 373 Ca -0.12 -2.99 -0.11 0.00 -0.16 0.00 0.00 57.90 54.52 3krk n TYR 373 Cb 0.51 -2.35 -0.04 0.00 -0.31 0.00 0.00 39.34 37.15 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 1.73 1.12 -0.06 -0.72 -2.07 -1.06 -4.65 119.66 113.95 3krk s GLN 374 Ca 0.58 -0.58 -0.14 0.00 -1.82 0.00 0.00 55.36 53.40 3krk s GLN 374 Cb 0.16 0.50 0.03 0.00 -1.09 0.00 0.00 33.01 32.61 3krk s GLN 374 CO -0.07 -0.45 0.33 1.21 -1.32 0.00 0.00 175.29 174.99 3krk s ASN 375 N -2.68 -0.26 -0.07 12.60 2.47 -1.26 -4.75 114.94 121.00 3krk s ASN 375 Ca 0.01 0.32 0.01 0.00 0.42 0.00 0.00 52.86 53.62 3krk s ASN 375 Cb 0.01 0.46 0.02 0.00 -1.45 0.00 0.00 41.25 40.29 3krk s ASN 375 CO -0.11 -0.33 -0.08 -0.60 -3.72 0.00 0.00 177.10 172.26 3krk s ARG 376 N -0.77 1.33 0.06 0.43 6.06 -1.26 -4.80 118.95 119.99 3krk s ARG 376 Ca -0.09 -0.25 -0.31 0.00 -2.50 0.00 0.00 55.73 52.59 3krk s ARG 376 Cb -0.04 -1.24 -0.06 0.00 0.06 0.00 0.00 34.95 33.66 3krk s ARG 376 CO 0.03 -0.09 1.34 0.42 -2.50 0.00 0.00 175.30 174.50 3krk s ILE 377 N 1.05 3.64 -0.01 4.11 -1.09 -1.26 -4.79 121.20 122.85 3krk s ILE 377 Ca -0.08 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.30 3krk s ILE 377 Cb -0.14 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 3krk s ILE 377 CO -0.01 0.05 0.46 0.00 -1.23 0.00 0.00 174.94 174.22 3krk s ALA 378 N 1.56 3.62 0.26 9.38 0.00 -1.26 -0.65 121.76 134.67 3krk s ALA 378 Ca 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 3krk s ALA 378 Cb -0.33 -2.50 0.51 0.00 0.00 0.00 0.00 23.12 20.80 3krk s ALA 378 CO 0.28 0.35 1.76 1.03 0.00 0.00 0.00 175.76 179.18 3krk h SER 379 N 5.17 0.50 0.34 0.00 0.87 -0.98 -1.19 113.55 118.25 3krk h SER 379 Ca -0.49 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 3krk h SER 379 Cb 1.21 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3krk h SER 379 CO 0.65 0.21 -0.33 -0.33 -0.53 0.00 0.00 176.83 176.50 3krk h GLU 380 N 0.60 0.00 -0.39 2.24 3.07 -1.94 -0.57 114.58 117.59 3krk h GLU 380 Ca 0.45 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.17 3krk h GLU 380 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3krk h GLU 380 CO -0.36 0.33 -0.31 0.35 -1.40 0.00 0.00 179.01 177.63 3krk h PHE 381 N 0.00 0.99 -0.05 4.33 3.57 -1.62 -0.90 116.94 123.25 3krk h PHE 381 Ca -0.00 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.25 3krk h PHE 381 Cb 0.59 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3krk h PHE 381 CO 0.00 1.04 -0.04 -0.97 -2.23 0.00 0.00 178.31 176.11 3krk h ASN 382 N 0.71 -0.14 -0.40 0.41 -1.24 -0.83 -2.99 115.58 111.11 3krk h ASN 382 Ca 0.08 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.13 3krk h ASN 382 Cb 0.86 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.96 3krk h ASN 382 CO 0.08 -0.06 0.24 0.74 -1.29 0.00 0.00 177.43 177.13 3krk h THR 383 N -0.05 1.06 0.00 -3.57 2.02 -0.89 -2.66 112.91 108.82 3krk h THR 383 Ca 0.04 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3krk h THR 383 Cb 0.11 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3krk h THR 383 CO -0.09 0.09 -0.15 0.17 0.37 0.00 0.00 175.52 175.91 3krk h LEU 384 N 0.49 0.00 -0.74 2.58 8.10 -1.20 -2.67 115.31 121.88 3krk h LEU 384 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.14 3krk h LEU 384 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 3krk h LEU 384 CO -0.06 0.15 0.00 0.00 -4.11 0.00 0.00 178.44 174.42 3krk n TYR 385 N -3.52 0.27 -1.88 0.17 9.36 -1.00 -4.57 117.16 115.98 3krk n TYR 385 Ca -0.01 -0.13 -0.42 0.00 3.32 0.00 0.00 57.90 60.66 3krk n TYR 385 Cb 0.30 -0.01 -0.01 0.00 -0.63 0.00 0.00 39.34 39.00 3krk n TYR 385 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3krk n HIS 386 N 0.06 3.61 -1.15 2.98 8.25 -1.01 -4.79 115.22 123.17 3krk n HIS 386 Ca 0.06 -2.77 -0.20 0.00 -0.26 0.00 0.00 57.72 54.55 3krk n HIS 386 Cb 0.17 -2.49 -0.03 0.00 1.12 0.00 0.00 29.99 28.76 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 7.08 1.30 -0.33 4.41 8.01 -1.26 -4.65 117.44 132.00 3krk n TRP 387 Ca 0.51 -1.85 0.23 0.00 -1.31 0.00 0.00 57.50 55.08 3krk n TRP 387 Cb 0.41 -1.20 0.51 0.00 -2.01 0.00 0.00 31.31 29.02 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 2.30 0.67 0.00 -5.99 3.86 -1.97 -0.68 115.15 113.34 3krk h HIS 388 Ca 0.31 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3krk h HIS 388 Cb 0.90 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3krk h HIS 388 CO 1.18 0.05 0.00 -1.35 0.86 0.00 0.00 177.93 178.68 3krk h PRO 389 N 0.39 0.00 -0.19 2.45 0.11 -1.83 -2.37 132.00 130.57 3krk h PRO 389 Ca 0.60 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.77 3krk h PRO 389 Cb 1.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.62 3krk h PRO 389 CO -0.31 0.00 0.16 -0.07 -0.21 0.00 0.00 178.00 177.57 3krk h LEU 390 N 0.00 0.00 -9.63 2.35 3.38 -1.25 -3.32 115.31 106.85 3krk h LEU 390 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3krk h LEU 390 Cb 0.09 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.88 3krk h LEU 390 CO 0.00 0.00 0.76 -0.76 0.09 0.00 0.00 178.44 178.53 3krk s LEU 391 N -8.30 4.38 1.02 1.67 1.43 -0.89 -1.12 118.68 116.87 3krk s LEU 391 Ca -0.05 2.49 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 3krk s LEU 391 Cb 0.17 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.99 3krk s LEU 391 CO 0.63 -0.69 1.21 -2.16 0.23 0.00 0.00 176.35 175.56 3krk s PRO 392 N 0.61 0.24 0.12 1.29 0.04 -1.26 -4.62 135.00 131.40 3krk s PRO 392 Ca 0.64 -0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 3krk s PRO 392 Cb -0.40 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 3krk s PRO 392 CO 0.34 -2.73 1.26 -0.44 0.04 0.00 0.00 177.00 175.47 3krk h ASP 393 N -1.88 0.47 -4.59 6.66 3.32 -1.96 -3.46 116.42 114.98 3krk h ASP 393 Ca -0.46 -0.42 -0.25 0.00 0.02 0.00 0.00 57.03 55.93 3krk h ASP 393 Cb 1.28 -0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 3krk h ASP 393 CO 0.44 1.24 -0.71 0.42 -1.72 0.00 0.00 179.24 178.91 3krk s THR 394 N -3.07 0.70 -0.35 0.35 -4.23 -1.26 -4.59 115.64 103.19 3krk s THR 394 Ca -0.05 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 3krk s THR 394 Cb 0.08 -1.44 -0.00 0.00 1.34 0.00 0.00 72.50 72.48 3krk s THR 394 CO 0.87 -0.74 0.21 -0.36 -0.54 0.00 0.00 174.62 174.06 3krk s PHE 395 N -3.05 3.22 -0.55 3.99 0.08 0.24 -4.88 117.98 117.02 3krk s PHE 395 Ca 0.07 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.47 3krk s PHE 395 Cb 0.01 -2.45 0.14 0.00 -0.57 0.00 0.00 43.02 40.15 3krk s PHE 395 CO -0.03 -0.48 0.48 -0.80 -0.10 0.00 0.00 175.22 174.30 3krk s ASN 396 N 1.65 6.09 -0.18 1.36 0.01 -1.26 -0.80 114.94 121.81 3krk s ASN 396 Ca 0.05 -1.96 -0.04 0.00 -0.71 0.00 0.00 52.86 50.20 3krk s ASN 396 Cb -0.18 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 3krk s ASN 396 CO 0.08 -0.77 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.26 3krk s ILE 397 N 1.32 3.92 0.00 0.60 -1.09 -0.57 -4.62 121.20 120.76 3krk s ILE 397 Ca 0.06 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3krk s ILE 397 Cb -0.26 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3krk s ILE 397 CO 0.00 0.46 0.00 1.21 -1.23 0.00 0.00 174.94 175.38 3krk n GLU 398 N 3.90 0.00 0.00 2.79 2.13 -1.26 -0.22 120.64 127.98 3krk n GLU 398 Ca -0.17 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.77 3krk n GLU 398 Cb 0.52 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.35 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 7.00 2.08 -4.90 4.31 8.00 -1.26 -4.96 116.55 126.81 3krk n ASP 399 Ca 0.00 -1.54 -0.31 0.00 0.71 0.00 0.00 54.79 53.65 3krk n ASP 399 Cb 0.00 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.32 3.57 -0.27 -1.24 -1.52 0.70 -5.08 119.66 113.49 3krk s GLN 400 Ca 0.23 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.46 3krk s GLN 400 Cb 0.19 -2.91 0.08 0.00 -0.22 0.00 0.00 33.01 30.15 3krk s GLN 400 CO 0.48 0.51 0.03 -1.21 -0.25 0.00 0.00 175.29 174.85 3krk s GLU 401 N -2.59 1.14 -0.08 2.91 2.02 -1.26 -1.52 118.70 119.33 3krk s GLU 401 Ca 0.39 -1.09 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 3krk s GLU 401 Cb -0.12 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 3krk s GLU 401 CO 0.25 -0.80 0.44 0.71 0.02 0.00 0.00 175.26 175.88 3krk s TYR 402 N 1.45 3.59 0.86 1.61 2.02 0.02 -4.85 117.35 122.05 3krk s TYR 402 Ca 0.03 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.52 3krk s TYR 402 Cb -0.18 -2.44 0.11 0.00 -0.40 0.00 0.00 41.96 39.05 3krk s TYR 402 CO -0.14 0.34 1.11 -1.54 -1.57 0.00 0.00 175.55 173.76 3krk s SER 403 N -0.00 3.90 0.21 2.29 1.04 -1.26 -0.59 113.70 119.29 3krk s SER 403 Ca 0.24 1.19 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 3krk s SER 403 Cb -0.16 -1.86 0.29 0.00 0.10 0.00 0.00 66.02 64.40 3krk s SER 403 CO 0.11 -2.33 1.74 -0.26 0.98 0.00 0.00 173.24 173.47 3krk h PHE 404 N -1.34 0.38 -0.86 5.02 0.04 -1.97 -1.33 116.94 116.88 3krk h PHE 404 Ca -0.49 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.39 3krk h PHE 404 Cb 1.30 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 3krk h PHE 404 CO 0.39 0.08 0.56 0.87 -0.60 0.00 0.00 178.31 179.60 3krk h LYS 405 N 0.39 0.87 0.04 1.51 6.56 -1.93 -0.19 116.57 123.82 3krk h LYS 405 Ca 0.32 -0.05 -0.22 0.00 -1.06 0.00 0.00 60.65 59.63 3krk h LYS 405 Cb 0.41 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 3krk h LYS 405 CO -0.33 0.58 -1.04 1.96 -2.06 0.00 0.00 179.45 178.55 3krk h GLN 406 N 0.90 0.10 0.23 3.15 4.20 -1.78 -3.35 115.11 118.56 3krk h GLN 406 Ca 0.38 -0.16 -0.34 0.00 0.06 0.00 0.00 58.65 58.59 3krk h GLN 406 Cb 0.31 0.06 0.03 0.00 0.30 0.00 0.00 27.48 28.18 3krk h GLN 406 CO -0.15 1.05 -1.54 0.35 -0.67 0.00 0.00 178.83 177.87 3krk h PHE 407 N 0.03 0.88 -2.48 2.96 3.57 -0.68 -3.41 116.94 117.82 3krk h PHE 407 Ca -0.05 -0.64 -0.53 0.00 3.53 0.00 0.00 57.97 60.28 3krk h PHE 407 Cb 1.78 -0.04 0.02 0.00 2.79 0.00 0.00 35.95 40.51 3krk h PHE 407 CO 0.02 1.57 1.16 -0.51 -2.23 0.00 0.00 178.31 178.32 3krk s LEU 408 N -7.47 4.41 -1.57 0.59 1.02 -0.13 -2.44 118.68 113.08 3krk s LEU 408 Ca -0.10 2.65 0.00 0.00 0.02 0.00 0.00 54.13 56.69 3krk s LEU 408 Cb 0.05 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.71 3krk s LEU 408 CO 0.92 -1.01 0.00 -1.22 0.02 0.00 0.00 176.35 175.06 3krk n TYR 409 N 6.70 -0.28 -3.59 0.29 4.01 0.77 -4.97 117.16 120.09 3krk n TYR 409 Ca 0.19 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.55 3krk n TYR 409 Cb 0.40 -2.95 -0.06 0.00 -0.31 0.00 0.00 39.34 36.42 3krk n TYR 409 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3krk s ASN 410 N -2.63 6.12 0.24 7.72 3.84 -1.02 -4.84 114.94 124.37 3krk s ASN 410 Ca 0.00 -3.57 0.23 0.00 0.21 0.00 0.00 52.86 49.73 3krk s ASN 410 Cb 0.00 -1.95 0.96 0.00 -0.55 0.00 0.00 41.25 39.71 3krk s ASN 410 CO 0.00 -0.23 1.69 0.59 -2.79 0.00 0.00 177.10 176.35 3krk n ASN 411 N 2.58 0.61 -0.32 -4.21 3.02 -1.26 -2.77 115.26 112.90 3krk n ASN 411 Ca 0.20 0.66 0.04 0.00 -0.03 0.00 0.00 54.58 55.45 3krk n ASN 411 Cb 0.38 -0.78 0.19 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.79 -0.75 6.41 0.02 -1.94 -2.00 113.55 116.07 3krk h SER 412 Ca 0.00 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3krk h SER 412 Cb 0.33 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 3krk h SER 412 CO 0.00 0.44 0.42 0.40 -1.14 0.00 0.00 176.83 176.96 3krk h ILE 413 N 0.89 0.94 -0.52 3.27 2.04 -1.91 0.12 117.51 122.34 3krk h ILE 413 Ca 0.43 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 3krk h ILE 413 Cb 0.39 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3krk h ILE 413 CO -0.25 0.14 0.00 0.25 0.00 0.00 0.00 178.15 178.29 3krk h LEU 414 N 0.75 0.90 -0.38 1.44 5.85 -1.55 -1.91 115.31 120.41 3krk h LEU 414 Ca 0.35 -0.31 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 3krk h LEU 414 Cb 0.27 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3krk h LEU 414 CO -0.21 0.98 -0.67 -0.07 -0.34 0.00 0.00 178.44 178.13 3krk h LEU 415 N 0.78 0.66 -0.07 2.25 4.07 -1.06 0.34 115.31 122.28 3krk h LEU 415 Ca 0.15 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 3krk h LEU 415 Cb 0.52 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 3krk h LEU 415 CO 0.03 1.15 0.01 -0.08 -1.08 0.00 0.00 178.44 178.46 3krk h GLU 416 N 0.40 0.12 0.15 1.13 4.81 -0.69 -3.34 114.58 117.16 3krk h GLU 416 Ca -0.02 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.83 3krk h GLU 416 Cb 1.25 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3krk h GLU 416 CO 0.13 0.34 -1.77 0.45 -0.73 0.00 0.00 179.01 177.42 3krk h HIS 417 N -0.13 0.58 0.00 0.92 3.86 -1.43 -3.51 115.15 115.44 3krk h HIS 417 Ca 0.02 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3krk h HIS 417 Cb 0.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3krk h HIS 417 CO 0.02 1.62 0.00 0.41 0.86 0.00 0.00 177.93 180.83 3krk n GLY 418 N 1.84 -0.09 0.30 2.45 0.00 0.11 -4.32 105.19 105.48 3krk n GLY 418 Ca -0.25 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 0.98 -0.18 0.99 4.07 -1.96 -1.85 115.31 117.37 3krk h LEU 419 Ca 0.00 -0.29 0.04 0.00 0.08 0.00 0.00 57.88 57.71 3krk h LEU 419 Cb 0.00 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.44 3krk h LEU 419 CO 0.00 1.06 -0.06 0.74 -1.08 0.00 0.00 178.44 179.10 3krk h THR 420 N 0.90 0.79 -0.56 0.22 2.02 -1.86 0.24 112.91 114.66 3krk h THR 420 Ca 0.15 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 3krk h THR 420 Cb 0.59 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3krk h THR 420 CO 0.04 0.00 -0.07 -0.61 0.37 0.00 0.00 175.52 175.25 3krk h GLN 421 N -0.02 1.04 -0.25 6.66 5.75 -1.73 -1.19 115.11 125.37 3krk h GLN 421 Ca 0.09 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 3krk h GLN 421 Cb 0.16 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 3krk h GLN 421 CO -0.20 1.05 -0.07 0.74 -2.65 0.00 0.00 178.83 177.71 3krk h PHE 422 N 0.93 -0.14 -0.30 3.99 -1.00 -0.91 0.39 116.94 119.90 3krk h PHE 422 Ca 0.15 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 3krk h PHE 422 Cb 0.63 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 3krk h PHE 422 CO 0.04 -0.11 0.12 0.28 -1.61 0.00 0.00 178.31 177.03 3krk h VAL 423 N -0.01 1.18 -0.53 -0.55 2.07 -0.77 -0.57 116.25 117.07 3krk h VAL 423 Ca 0.12 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3krk h VAL 423 Cb 0.19 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3krk h VAL 423 CO -0.26 0.19 0.34 -0.33 0.02 0.00 0.00 177.57 177.53 3krk h GLU 424 N 0.33 0.71 -0.06 1.57 5.08 -0.99 -0.87 114.58 120.35 3krk h GLU 424 Ca 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3krk h GLU 424 Cb 0.18 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3krk h GLU 424 CO -0.01 0.49 -0.11 0.77 -1.00 0.00 0.00 179.01 179.15 3krk h SER 425 N 0.72 0.20 0.78 1.42 0.02 -0.82 -3.14 113.55 112.73 3krk h SER 425 Ca 0.19 -0.56 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3krk h SER 425 Cb -0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3krk h SER 425 CO -0.04 0.72 -0.26 -0.26 -1.14 0.00 0.00 176.83 175.85 3krk h PHE 426 N -0.32 0.00 -0.02 3.45 0.04 -1.07 -1.38 116.94 117.64 3krk h PHE 426 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3krk h PHE 426 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 3krk h PHE 426 CO 0.11 0.26 -0.34 1.15 -0.60 0.00 0.00 178.31 178.89 3krk h THR 427 N 0.00 1.25 0.00 -1.55 2.02 -1.21 -2.01 112.91 111.41 3krk h THR 427 Ca -0.00 -1.21 -0.22 0.00 0.77 0.00 0.00 66.41 65.75 3krk h THR 427 Cb 0.72 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 3krk h THR 427 CO 0.03 0.35 -1.24 0.03 0.37 0.00 0.00 175.52 175.06 3krk h ARG 428 N 0.04 0.00 -6.05 6.66 3.08 -1.23 -3.36 114.38 113.52 3krk h ARG 428 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3krk h ARG 428 Cb 0.62 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 3krk h ARG 428 CO 0.05 0.69 0.72 -1.14 -1.07 0.00 0.00 179.97 179.21 3krk s GLN 429 N -2.72 4.19 0.43 0.04 0.74 -0.68 -4.89 119.66 116.77 3krk s GLN 429 Ca -0.01 1.17 -0.24 0.00 0.05 0.00 0.00 55.36 56.33 3krk s GLN 429 Cb 0.09 -3.66 -0.08 0.00 1.10 0.00 0.00 33.01 30.46 3krk s GLN 429 CO 0.81 -0.66 1.19 -1.50 -0.55 0.00 0.00 175.29 174.58 3krk s ILE 430 N 3.20 3.01 0.44 -2.34 1.10 -1.26 -1.53 121.20 123.82 3krk s ILE 430 Ca 0.42 0.81 0.04 0.00 -0.51 0.00 0.00 60.65 61.41 3krk s ILE 430 Cb -0.14 -3.44 0.01 0.00 0.15 0.00 0.00 42.46 39.04 3krk s ILE 430 CO 0.08 0.04 0.62 0.00 -2.11 0.00 0.00 174.94 173.57 3krk s ALA 431 N -1.45 4.10 0.44 1.50 0.00 0.14 -4.75 121.76 121.75 3krk s ALA 431 Ca 0.61 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3krk s ALA 431 Cb -0.31 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 3krk s ALA 431 CO 0.39 -0.35 0.83 0.20 0.00 0.00 0.00 175.76 176.82 3krk s GLY 432 N -4.29 1.91 0.21 0.00 0.00 -0.27 -0.34 107.32 104.54 3krk s GLY 432 Ca 0.51 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 3krk s GLY 432 CO 0.35 0.06 1.04 -1.60 0.00 0.00 0.00 173.10 172.96 3krk s ARG 433 N -4.04 4.68 -0.17 2.90 3.52 0.02 -4.01 118.95 121.85 3krk s ARG 433 Ca 0.53 1.65 -0.17 0.00 -0.13 0.00 0.00 55.73 57.61 3krk s ARG 433 Cb -0.10 -3.27 -0.13 0.00 -1.56 0.00 0.00 34.95 29.89 3krk s ARG 433 CO 0.34 0.23 0.15 0.28 -0.81 0.00 0.00 175.30 175.49 3krk h VAL 434 N 3.48 0.66 -4.01 7.11 2.07 -1.86 -3.43 116.25 120.27 3krk h VAL 434 Ca -0.45 -1.72 -0.45 0.00 0.82 0.00 0.00 66.70 64.90 3krk h VAL 434 Cb 1.21 1.48 0.13 0.00 -1.52 0.00 0.00 31.29 32.59 3krk h VAL 434 CO 0.70 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.90 3krk s ALA 435 N -2.47 2.53 0.00 1.67 0.00 -0.66 -4.51 121.76 118.32 3krk s ALA 435 Ca -0.20 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3krk s ALA 435 Cb 0.03 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3krk s ALA 435 CO 0.43 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.53 3krk n GLY 436 N -3.51 1.67 0.00 0.00 0.00 0.02 -4.87 105.19 98.50 3krk n GLY 436 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 -0.06 3.79 -0.02 0.00 0.89 -4.88 105.19 102.91 3krk n GLY 437 Ca 0.00 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 0.12 -3.34 -0.38 1.61 1.74 -0.39 -4.88 116.66 111.14 3krk n ARG 438 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3krk n ARG 438 Cb 0.00 -4.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 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 -2.95 0.00 -4.65 0.55 5.15 -0.55 -3.93 115.26 108.88 3krk n ASN 439 Ca -0.26 -1.68 -0.42 0.00 -0.60 0.00 0.00 54.58 51.62 3krk n ASN 439 Cb 0.66 -0.14 -0.03 0.00 -0.53 0.00 0.00 39.78 39.75 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 4.75 0.45 3.44 1.01 -0.22 -4.31 120.40 125.53 3krk s VAL 440 Ca 0.00 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 3krk s VAL 440 Cb 0.00 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3krk s VAL 440 CO 0.00 -0.13 1.41 -2.84 0.00 0.00 0.00 175.10 173.54 3krk s PRO 441 N 3.01 3.70 0.45 2.72 0.02 -1.26 0.24 135.00 143.88 3krk s PRO 441 Ca 0.40 2.38 0.24 0.00 0.02 0.00 0.00 61.00 64.03 3krk s PRO 441 Cb -0.15 -2.65 0.98 0.00 0.02 0.00 0.00 34.50 32.70 3krk s PRO 441 CO 0.07 -0.79 1.86 0.97 -0.33 0.00 0.00 177.00 178.78 3krk h ILE 442 N 2.29 0.62 -0.77 2.83 2.10 -1.96 -2.67 117.51 119.95 3krk h ILE 442 Ca -0.51 -1.07 0.16 0.00 1.08 0.00 0.00 64.86 64.53 3krk h ILE 442 Cb 1.26 1.71 -0.05 0.00 -1.09 0.00 0.00 36.82 38.65 3krk h ILE 442 CO 0.61 0.23 0.52 0.00 -1.08 0.00 0.00 178.15 178.42 3krk h ALA 443 N 1.77 2.20 -0.47 0.18 0.00 -2.00 -2.16 119.26 118.79 3krk h ALA 443 Ca -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3krk h ALA 443 Cb 0.69 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 3krk h ALA 443 CO 0.03 -0.42 0.08 1.33 0.00 0.00 0.00 179.25 180.27 3krk n VAL 444 N -4.46 2.63 -0.25 0.00 0.24 -1.01 -4.72 118.33 110.76 3krk n VAL 444 Ca 0.15 -2.33 0.01 0.00 -2.04 0.00 0.00 64.34 60.14 3krk n VAL 444 Cb 0.59 -0.33 0.24 0.00 -1.47 0.00 0.00 33.84 32.86 3krk n VAL 444 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3krk h GLN 445 N 1.34 1.01 -0.28 7.34 3.07 -1.43 -2.49 115.11 123.66 3krk h GLN 445 Ca 0.24 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.85 3krk h GLN 445 Cb 1.86 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 29.18 3krk h GLN 445 CO 0.50 0.67 -0.14 0.00 0.09 0.00 0.00 178.83 179.94 3krk h ALA 446 N 1.51 1.24 -0.09 0.06 0.00 -1.84 -1.38 119.26 118.76 3krk h ALA 446 Ca 0.31 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3krk h ALA 446 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3krk h ALA 446 CO -0.08 0.50 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 3krk h VAL 447 N 0.44 1.38 -0.68 0.00 2.07 -1.84 -1.57 116.25 116.05 3krk h VAL 447 Ca 0.08 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3krk h VAL 447 Cb 0.51 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 3krk h VAL 447 CO 0.03 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.34 3krk h ALA 448 N 0.54 0.93 -0.52 1.67 0.00 -1.31 -1.37 119.26 119.21 3krk h ALA 448 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3krk h ALA 448 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3krk h ALA 448 CO 0.03 -0.06 0.07 -0.22 0.00 0.00 0.00 179.25 179.08 3krk h LYS 449 N 0.58 0.87 -0.82 0.00 3.64 -1.26 -2.79 116.57 116.80 3krk h LYS 449 Ca 0.33 -0.24 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3krk h LYS 449 Cb 0.34 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3krk h LYS 449 CO -0.26 0.86 0.53 0.00 -2.27 0.00 0.00 179.45 178.31 3krk h ALA 450 N 0.98 1.72 -0.65 5.00 0.00 -0.74 -0.76 119.26 124.81 3krk h ALA 450 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3krk h ALA 450 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3krk h ALA 450 CO 0.01 0.12 0.25 0.77 0.00 0.00 0.00 179.25 180.40 3krk h SER 451 N 0.78 0.87 -0.05 0.00 0.02 -0.99 0.05 113.55 114.23 3krk h SER 451 Ca 0.37 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3krk h SER 451 Cb 0.41 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3krk h SER 451 CO -0.15 0.79 -0.06 0.40 -1.14 0.00 0.00 176.83 176.67 3krk h ILE 452 N 0.93 1.38 -0.63 3.27 2.04 -1.20 -3.05 117.51 120.25 3krk h ILE 452 Ca 0.22 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3krk h ILE 452 Cb 0.19 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3krk h ILE 452 CO -0.02 0.34 0.07 0.44 0.00 0.00 0.00 178.15 178.98 3krk h ASP 453 N -0.33 1.04 -0.29 1.72 3.32 -0.98 -2.21 116.42 118.69 3krk h ASP 453 Ca 0.01 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.59 3krk h ASP 453 Cb 0.57 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3krk h ASP 453 CO 0.01 1.05 -0.55 1.56 -1.72 0.00 0.00 179.24 179.60 3krk h GLN 454 N 0.98 0.89 0.00 3.56 4.20 -1.10 0.69 115.11 124.33 3krk h GLN 454 Ca 0.19 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 3krk h GLN 454 Cb 0.48 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3krk h GLN 454 CO 0.02 1.20 -0.15 0.66 -0.67 0.00 0.00 178.83 179.89 3krk h SER 455 N 0.68 0.00 -0.05 1.46 4.64 -1.47 0.15 113.55 118.96 3krk h SER 455 Ca 0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 3krk h SER 455 Cb 1.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3krk h SER 455 CO 0.12 0.15 -0.78 0.03 -0.87 0.00 0.00 176.83 175.48 3krk h ARG 456 N 0.00 0.63 -0.85 4.77 3.08 -0.93 -1.32 114.38 119.76 3krk h ARG 456 Ca -0.00 -0.60 0.02 0.00 0.07 0.00 0.00 59.98 59.47 3krk h ARG 456 Cb 0.37 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3krk h ARG 456 CO 0.02 1.21 0.56 0.93 -1.07 0.00 0.00 179.97 181.62 3krk h GLU 457 N 0.26 1.06 -0.13 0.04 5.08 -0.08 -1.82 114.58 118.99 3krk h GLU 457 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3krk h GLU 457 Cb 1.44 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3krk h GLU 457 CO 0.16 0.70 0.00 -1.33 -1.00 0.00 0.00 179.01 177.54 3krk n MET 458 N -4.43 1.36 -3.63 2.33 2.81 0.45 -4.93 117.12 111.08 3krk n MET 458 Ca 0.10 -0.55 -0.28 0.00 -1.81 0.00 0.00 57.70 55.17 3krk n MET 458 Cb 0.07 -1.20 0.04 0.00 -0.71 0.00 0.00 33.22 31.43 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 -0.12 -1.76 -2.24 0.03 4.76 -0.68 -4.73 118.16 113.42 3krk n LYS 459 Ca 0.09 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.65 3krk n LYS 459 Cb 0.15 -4.49 -0.03 0.00 -1.84 0.00 0.00 35.03 28.82 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 -3.49 3.26 1.01 2.13 1.51 -0.51 -1.65 117.35 119.61 3krk s TYR 460 Ca 0.42 1.37 -0.12 0.00 -1.01 0.00 0.00 57.07 57.72 3krk s TYR 460 Cb -0.13 -3.56 0.20 0.00 -0.11 0.00 0.00 41.96 38.35 3krk s TYR 460 CO 0.84 -1.61 1.08 -0.65 -1.11 0.00 0.00 175.55 174.11 3krk s GLN 461 N -0.84 0.32 0.82 -0.62 -0.21 -1.26 -4.82 119.66 113.04 3krk s GLN 461 Ca 0.52 0.64 -0.11 0.00 0.02 0.00 0.00 55.36 56.43 3krk s GLN 461 Cb -0.36 -1.71 0.08 0.00 1.00 0.00 0.00 33.01 32.01 3krk s GLN 461 CO 0.43 -2.84 1.09 -1.54 -2.12 0.00 0.00 175.29 170.31 3krk s SER 462 N -3.27 4.26 0.19 5.90 1.04 -1.26 -4.62 113.70 115.93 3krk s SER 462 Ca 0.66 1.44 -0.19 0.00 0.48 0.00 0.00 55.95 58.33 3krk s SER 462 Cb -0.20 -2.17 0.14 0.00 0.10 0.00 0.00 66.02 63.90 3krk s SER 462 CO 0.59 -2.14 1.59 0.25 0.98 0.00 0.00 173.24 174.52 3krk h LEU 463 N -1.20 -1.05 -1.43 2.42 5.85 -1.22 -1.88 115.31 116.80 3krk h LEU 463 Ca -0.47 0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 3krk h LEU 463 Cb 1.26 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 3krk h LEU 463 CO 0.57 -0.29 -0.29 0.78 -0.34 0.00 0.00 178.44 178.87 3krk h ASN 464 N -0.14 0.00 -0.69 1.25 2.35 -1.85 0.11 115.58 116.61 3krk h ASN 464 Ca 0.24 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3krk h ASN 464 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3krk h ASN 464 CO -0.67 0.29 0.14 -0.33 -1.65 0.00 0.00 177.43 175.21 3krk h GLU 465 N 0.00 1.13 -0.12 0.81 4.39 -1.74 -1.75 114.58 117.30 3krk h GLU 465 Ca -0.00 -0.29 -0.16 0.00 0.34 0.00 0.00 59.36 59.26 3krk h GLU 465 Cb 0.52 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3krk h GLU 465 CO 0.04 1.01 -0.59 1.88 -1.16 0.00 0.00 179.01 180.19 3krk h TYR 466 N 1.06 0.50 -0.45 4.33 -1.99 -0.39 -2.04 116.97 117.99 3krk h TYR 466 Ca 0.21 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3krk h TYR 466 Cb 0.41 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 3krk h TYR 466 CO 0.03 0.89 0.20 0.00 -0.00 0.00 0.00 178.16 179.28 3krk h ARG 467 N 0.30 0.65 -0.73 4.88 3.08 -0.75 -2.57 114.38 119.25 3krk h ARG 467 Ca -0.00 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3krk h ARG 467 Cb 1.11 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 3krk h ARG 467 CO 0.10 0.58 0.29 0.87 -1.07 0.00 0.00 179.97 180.74 3krk h LYS 468 N 0.58 1.07 -0.37 0.04 1.57 -1.24 0.28 116.57 118.51 3krk h LYS 468 Ca 0.15 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3krk h LYS 468 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3krk h LYS 468 CO -0.02 0.87 0.25 -0.09 -0.57 0.00 0.00 179.45 179.89 3krk h ARG 469 N 1.05 0.42 -0.54 3.15 9.65 -1.15 -2.61 114.38 124.34 3krk h ARG 469 Ca 0.24 -0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.89 3krk h ARG 469 Cb 0.20 -0.09 -0.12 0.00 -1.39 0.00 0.00 29.97 28.56 3krk h ARG 469 CO -0.02 0.28 0.15 1.19 2.80 0.00 0.00 179.97 184.37 3krk n PHE 470 N -4.48 1.75 -1.90 2.20 3.72 -0.90 -4.94 117.46 112.90 3krk n PHE 470 Ca 0.03 -1.39 -0.11 0.00 -0.05 0.00 0.00 57.45 55.93 3krk n PHE 470 Cb 0.12 -0.58 -0.02 0.00 -0.94 0.00 0.00 39.48 38.06 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 -0.75 -3.90 -4.95 4.37 7.64 -0.99 -4.96 113.62 110.07 3krk n SER 471 Ca 0.37 0.09 -0.24 0.00 1.01 0.00 0.00 58.87 60.10 3krk n SER 471 Cb 1.21 -2.87 -0.03 0.00 -1.01 0.00 0.00 64.21 61.51 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 -3.00 4.29 -0.08 -3.43 1.43 0.95 -4.98 118.68 113.87 3krk s LEU 472 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 3krk s LEU 472 Cb 0.00 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3krk s LEU 472 CO 0.00 -0.03 1.07 -0.75 0.23 0.00 0.00 176.35 176.87 3krk s LYS 473 N -3.59 4.41 0.31 1.70 2.36 -1.26 -3.84 119.74 119.83 3krk s LYS 473 Ca 0.35 1.49 -0.29 0.00 -2.55 0.00 0.00 55.97 54.97 3krk s LYS 473 Cb -0.10 -3.54 -0.12 0.00 -1.05 0.00 0.00 37.83 33.02 3krk s LYS 473 CO 0.29 -0.35 1.43 -0.35 1.55 0.00 0.00 175.35 177.93 3krk n PRO 474 N 5.00 2.35 -1.89 4.03 -0.04 -1.26 -4.94 135.00 138.25 3krk n PRO 474 Ca 0.09 0.83 -0.41 0.00 -0.04 0.00 0.00 63.50 63.97 3krk n PRO 474 Cb 0.48 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 3krk n PRO 474 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3krk s TYR 475 N -0.60 2.86 -1.39 0.54 2.02 -1.26 -4.93 117.35 114.59 3krk s TYR 475 Ca 0.60 0.93 0.23 0.00 -0.37 0.00 0.00 57.07 58.46 3krk s TYR 475 Cb -0.55 -3.95 0.12 0.00 -0.40 0.00 0.00 41.96 37.18 3krk s TYR 475 CO 0.56 -3.11 1.15 0.25 -1.57 0.00 0.00 175.55 172.84 3krk n THR 476 N 2.07 0.00 -3.53 -0.71 -2.24 -1.26 -4.78 114.28 103.82 3krk n THR 476 Ca 0.07 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3krk n THR 476 Cb 0.39 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.79 -0.44 0.27 3.42 1.04 -1.26 -4.95 113.70 108.99 3krk s SER 477 Ca 0.14 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.49 3krk s SER 477 Cb 0.17 0.56 0.38 0.00 0.10 0.00 0.00 66.02 67.23 3krk s SER 477 CO 0.70 -0.94 1.66 -0.26 0.98 0.00 0.00 173.24 175.39 3krk h PHE 478 N 2.00 0.35 -0.71 5.02 0.04 -1.93 -2.75 116.94 118.95 3krk h PHE 478 Ca -0.28 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.32 3krk h PHE 478 Cb 1.28 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 3krk h PHE 478 CO 0.28 0.69 0.19 0.93 -0.60 0.00 0.00 178.31 179.80 3krk h GLU 479 N 0.24 1.13 -0.12 1.51 5.08 -1.87 -2.25 114.58 118.31 3krk h GLU 479 Ca 0.02 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 3krk h GLU 479 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3krk h GLU 479 CO 0.07 0.98 -0.25 1.49 -1.00 0.00 0.00 179.01 180.30 3krk h GLU 480 N 1.07 0.21 0.19 2.33 4.81 -1.85 0.11 114.58 121.45 3krk h GLU 480 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3krk h GLU 480 Cb 0.35 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3krk h GLU 480 CO -0.00 0.46 -0.09 1.25 -0.73 0.00 0.00 179.01 179.90 3krk h LEU 481 N 0.19 -0.21 0.00 1.64 5.85 -1.18 -3.35 115.31 118.25 3krk h LEU 481 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3krk h LEU 481 Cb 0.56 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3krk h LEU 481 CO 0.04 0.08 -0.79 0.35 -0.34 0.00 0.00 178.44 177.78 3krk n THR 482 N -5.08 0.15 -2.13 1.05 -2.24 -0.88 -1.37 114.28 103.78 3krk n THR 482 Ca -0.09 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 3krk n THR 482 Cb 0.21 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 3krk n THR 482 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krk n GLY 483 N 1.41 0.29 3.70 3.38 0.00 0.37 -3.88 105.19 110.46 3krk n GLY 483 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.59 1.97 -0.12 1.61 -6.30 -1.23 -5.06 118.70 104.99 3krk s GLU 484 Ca 0.00 -1.41 -0.00 0.00 -2.50 0.00 0.00 54.97 51.06 3krk s GLU 484 Cb 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 34.13 34.61 3krk s GLU 484 CO 0.00 -0.88 -0.11 1.63 0.02 0.00 0.00 175.26 175.92 3krk n LYS 485 N -0.50 0.28 0.06 4.30 5.02 -1.26 -4.54 118.16 121.52 3krk n LYS 485 Ca -0.04 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3krk n LYS 485 Cb 0.60 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.06 -0.15 -0.62 1.97 4.81 -2.00 -0.65 114.58 117.87 3krk h GLU 486 Ca -0.26 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3krk h GLU 486 Cb 1.38 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 3krk h GLU 486 CO -0.06 0.20 0.02 0.52 -0.73 0.00 0.00 179.01 178.96 3krk h MET 487 N -0.53 1.09 -0.68 1.92 2.86 -1.94 -2.31 114.93 115.34 3krk h MET 487 Ca -0.02 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3krk h MET 487 Cb 0.43 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3krk h MET 487 CO 0.03 1.04 0.36 0.00 1.06 0.00 0.00 176.91 179.41 3krk h ALA 488 N 1.00 0.91 -0.40 6.32 0.00 -1.78 0.12 119.26 125.44 3krk h ALA 488 Ca 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3krk h ALA 488 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3krk h ALA 488 CO 0.03 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.40 3krk h ALA 489 N 1.37 0.53 -0.19 0.00 0.00 -0.93 -0.57 119.26 119.46 3krk h ALA 489 Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3krk h ALA 489 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3krk h ALA 489 CO -0.21 0.20 0.06 0.93 0.00 0.00 0.00 179.25 180.24 3krk h GLU 490 N 0.50 0.15 -0.77 0.00 4.39 -0.84 -2.36 114.58 115.65 3krk h GLU 490 Ca 0.13 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3krk h GLU 490 Cb 0.31 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3krk h GLU 490 CO 0.00 0.10 0.35 -0.07 -1.16 0.00 0.00 179.01 178.24 3krk h LEU 491 N 0.16 1.01 -1.15 1.33 3.38 -0.65 -2.02 115.31 117.36 3krk h LEU 491 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3krk h LEU 491 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3krk h LEU 491 CO -0.09 0.87 0.48 0.50 0.09 0.00 0.00 178.44 180.29 3krk h LYS 492 N 1.10 1.05 -0.18 1.13 1.63 -0.84 0.10 116.57 120.57 3krk h LYS 492 Ca 0.26 -0.09 -0.17 0.00 -0.85 0.00 0.00 60.65 59.80 3krk h LYS 492 Cb 0.13 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3krk h LYS 492 CO -0.03 0.73 -0.60 0.00 -3.45 0.00 0.00 179.45 176.10 3krk h ALA 493 N 1.45 0.62 -0.06 5.00 0.00 -1.03 -0.80 119.26 124.45 3krk h ALA 493 Ca 0.28 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3krk h ALA 493 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3krk h ALA 493 CO -0.05 0.70 -0.23 -0.07 0.00 0.00 0.00 179.25 179.60 3krk h LEU 494 N 0.44 0.30 0.00 0.00 3.38 -0.75 -3.38 115.31 115.30 3krk h LEU 494 Ca -0.00 -0.63 -0.19 0.00 0.09 0.00 0.00 57.88 57.15 3krk h LEU 494 Cb 1.16 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3krk h LEU 494 CO 0.11 0.88 -2.10 -1.22 0.09 0.00 0.00 178.44 176.20 3krk n TYR 495 N -4.52 0.00 0.00 1.13 4.02 0.30 -4.25 117.16 113.84 3krk n TYR 495 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3krk n TYR 495 Cb 0.45 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 -2.46 0.00 -3.96 7.72 7.64 -0.30 -4.70 113.62 117.55 3krk n SER 496 Ca -0.18 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.44 3krk n SER 496 Cb 0.84 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.97 0.47 6.43 -1.08 -1.26 -5.00 116.67 118.21 3krk s ASP 497 Ca 0.00 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 51.90 3krk s ASP 497 Cb 0.00 -0.83 1.16 0.00 -1.46 0.00 0.00 42.92 41.78 3krk s ASP 497 CO 0.00 -0.05 2.01 -0.29 0.52 0.00 0.00 175.17 177.36 3krk h ILE 498 N 6.08 0.87 0.00 4.11 6.09 -1.92 -1.35 117.51 131.38 3krk h ILE 498 Ca -0.31 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 3krk h ILE 498 Cb 1.16 0.60 0.00 0.00 0.47 0.00 0.00 36.82 39.05 3krk h ILE 498 CO 0.44 0.05 0.00 0.47 -3.07 0.00 0.00 178.15 176.04 3krk n ASP 499 N -4.45 0.00 -0.40 2.19 8.00 -1.26 -1.87 116.55 118.74 3krk n ASP 499 Ca 0.08 0.41 0.04 0.00 0.71 0.00 0.00 54.79 56.03 3krk n ASP 499 Cb 0.39 -0.45 0.10 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.45 0.97 -1.86 2.53 0.24 -0.51 -4.75 118.33 113.50 3krk n VAL 500 Ca 0.03 -0.98 -0.39 0.00 -2.04 0.00 0.00 64.34 60.96 3krk n VAL 500 Cb 0.12 0.52 0.02 0.00 -1.47 0.00 0.00 33.84 33.04 3krk n VAL 500 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3krk s MET 501 N -0.99 3.49 0.17 7.34 0.00 -0.78 -4.86 119.30 123.66 3krk s MET 501 Ca 0.15 2.25 -0.12 0.00 0.00 0.00 0.00 55.69 57.97 3krk s MET 501 Cb 0.08 -2.48 -0.07 0.00 0.00 0.00 0.00 34.83 32.36 3krk s MET 501 CO 0.10 -0.92 0.53 -1.21 0.00 0.00 0.00 175.02 173.52 3krk s GLU 502 N -2.64 3.88 0.08 4.11 2.02 -1.26 -0.78 118.70 124.11 3krk s GLU 502 Ca 0.65 0.36 -0.35 0.00 0.02 0.00 0.00 54.97 55.66 3krk s GLU 502 Cb -0.40 -2.84 -0.18 0.00 0.10 0.00 0.00 34.13 30.81 3krk s GLU 502 CO 0.50 0.43 1.59 1.25 0.02 0.00 0.00 175.26 179.06 3krk h LEU 503 N 3.22 -1.07 0.09 1.80 5.85 -1.87 -2.43 115.31 120.89 3krk h LEU 503 Ca -0.48 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3krk h LEU 503 Cb 1.18 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3krk h LEU 503 CO 0.67 -0.64 -0.04 0.22 -0.34 0.00 0.00 178.44 178.31 3krk h TYR 504 N -1.01 -0.11 -0.70 1.25 3.20 -1.93 -1.88 116.97 115.78 3krk h TYR 504 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3krk h TYR 504 Cb 0.83 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3krk h TYR 504 CO -0.12 -0.04 0.45 -1.35 -1.64 0.00 0.00 178.16 175.46 3krk h PRO 505 N -0.14 0.93 -0.27 1.82 0.11 -1.97 -2.75 132.00 129.73 3krk h PRO 505 Ca -0.01 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3krk h PRO 505 Cb 0.11 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3krk h PRO 505 CO 0.02 0.63 -0.16 0.00 -0.21 0.00 0.00 178.00 178.28 3krk h ALA 506 N 1.54 1.23 -0.16 -0.75 0.00 -0.98 -2.38 119.26 117.76 3krk h ALA 506 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3krk h ALA 506 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3krk h ALA 506 CO -0.05 0.50 -0.09 -0.07 0.00 0.00 0.00 179.25 179.54 3krk h LEU 507 N 0.43 0.23 0.00 0.00 3.38 -1.05 -0.92 115.31 117.38 3krk h LEU 507 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3krk h LEU 507 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3krk h LEU 507 CO 0.03 0.36 -0.69 -0.07 0.09 0.00 0.00 178.44 178.16 3krk h LEU 508 N 0.24 0.00 -0.84 1.67 3.38 -1.40 -3.35 115.31 115.01 3krk h LEU 508 Ca 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3krk h LEU 508 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3krk h LEU 508 CO 0.02 0.08 -0.24 1.33 0.09 0.00 0.00 178.44 179.72 3krk n VAL 509 N -2.26 0.00 -1.85 1.22 0.24 -1.01 -0.08 118.33 114.60 3krk n VAL 509 Ca 0.03 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 3krk n VAL 509 Cb 0.46 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 33.99 3krk n VAL 509 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3krk s GLU 510 N -1.54 3.90 -0.17 7.34 2.12 -0.36 -4.19 118.70 125.79 3krk s GLU 510 Ca 0.11 2.43 -0.33 0.00 0.36 0.00 0.00 54.97 57.53 3krk s GLU 510 Cb 0.10 -2.80 -0.11 0.00 0.26 0.00 0.00 34.13 31.59 3krk s GLU 510 CO 0.30 -0.65 2.00 1.17 -0.54 0.00 0.00 175.26 177.55 3krk n LYS 511 N 0.12 1.89 -1.64 4.30 4.81 -0.47 -0.80 118.16 126.37 3krk n LYS 511 Ca 0.03 0.64 -0.33 0.00 -0.87 0.00 0.00 58.31 57.78 3krk n LYS 511 Cb 0.41 -2.70 0.06 0.00 0.02 0.00 0.00 35.03 32.83 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 4.92 2.61 0.97 1.64 0.02 -1.26 -4.34 135.00 139.56 3krk s PRO 512 Ca 0.98 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 3krk s PRO 512 Cb -0.68 -1.92 0.14 0.00 0.02 0.00 0.00 34.50 32.06 3krk s PRO 512 CO 0.49 -1.41 0.88 0.54 -0.33 0.00 0.00 177.00 177.17 3krk n ARG 513 N -2.59 -0.76 -1.59 5.54 3.00 -0.35 -4.82 116.66 115.09 3krk n ARG 513 Ca 0.11 -0.17 -0.48 0.00 -0.01 0.00 0.00 57.85 57.30 3krk n ARG 513 Cb 0.52 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.75 3krk n ARG 513 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3krk n PRO 514 N -3.58 1.74 -3.27 5.56 -0.02 -1.26 -1.44 135.00 132.73 3krk n PRO 514 Ca 0.09 0.56 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 3krk n PRO 514 Cb 0.53 -2.70 0.04 0.00 -0.02 0.00 0.00 33.50 31.35 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 8.78 -5.64 -4.53 2.55 8.00 -1.26 -4.99 116.55 119.47 3krk n ASP 515 Ca 0.30 -0.40 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 3krk n ASP 515 Cb 0.30 -4.54 -0.09 0.00 -0.02 0.00 0.00 41.12 36.77 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 -3.17 2.89 0.16 2.24 0.00 -0.52 -3.78 121.76 119.57 3krk s ALA 516 Ca 0.41 -1.80 0.08 0.00 0.00 0.00 0.00 51.96 50.64 3krk s ALA 516 Cb -0.19 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 3krk s ALA 516 CO 0.50 0.28 1.37 0.97 0.00 0.00 0.00 175.76 178.88 3krk h ILE 517 N 2.15 1.63 -2.02 0.00 2.10 -1.91 -3.42 117.51 116.03 3krk h ILE 517 Ca -0.41 -3.05 -0.60 0.00 1.08 0.00 0.00 64.86 61.87 3krk h ILE 517 Cb 1.26 2.65 -0.13 0.00 -1.09 0.00 0.00 36.82 39.51 3krk h ILE 517 CO 0.60 0.87 -0.68 -0.36 -1.08 0.00 0.00 178.15 177.50 3krk s PHE 518 N -2.96 2.44 0.54 2.19 0.08 -1.26 -1.65 117.98 117.35 3krk s PHE 518 Ca 0.00 -0.42 0.09 0.00 0.12 0.00 0.00 56.93 56.73 3krk s PHE 518 Cb 0.11 -1.30 0.07 0.00 -0.57 0.00 0.00 43.02 41.33 3krk s PHE 518 CO 0.80 0.59 0.74 0.20 -0.10 0.00 0.00 175.22 177.46 3krk s GLY 519 N -3.62 1.79 0.16 4.36 0.00 -1.26 -1.22 107.32 107.53 3krk s GLY 519 Ca 0.32 -2.00 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 3krk s GLY 519 CO 0.17 -1.61 1.67 -2.09 0.00 0.00 0.00 173.10 171.24 3krk h GLU 520 N 0.27 0.01 -0.76 2.90 4.81 -1.94 -2.77 114.58 117.10 3krk h GLU 520 Ca -0.33 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3krk h GLU 520 Cb 1.29 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3krk h GLU 520 CO 0.42 0.00 0.50 1.15 -0.73 0.00 0.00 179.01 180.35 3krk h THR 521 N 0.01 1.08 -0.14 0.32 2.02 -1.96 0.12 112.91 114.36 3krk h THR 521 Ca 0.18 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3krk h THR 521 Cb 0.28 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3krk h THR 521 CO -0.39 0.16 0.05 -0.03 0.37 0.00 0.00 175.52 175.69 3krk h MET 522 N 0.88 0.22 -0.11 6.66 1.85 -1.86 -1.95 114.93 120.62 3krk h MET 522 Ca 0.31 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.34 3krk h MET 522 Cb 0.12 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.12 3krk h MET 522 CO -0.10 0.32 -0.00 0.28 -0.40 0.00 0.00 176.91 177.01 3krk h VAL 523 N 0.06 1.26 0.00 -5.77 2.07 -1.42 -0.27 116.25 112.18 3krk h VAL 523 Ca 0.05 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3krk h VAL 523 Cb 0.19 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3krk h VAL 523 CO -0.00 0.24 -0.22 -0.33 0.02 0.00 0.00 177.57 177.28 3krk h GLU 524 N -0.08 0.00 0.07 1.57 4.39 -0.98 -1.23 114.58 118.32 3krk h GLU 524 Ca 0.03 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.41 3krk h GLU 524 Cb 0.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3krk h GLU 524 CO 0.01 0.22 -1.77 1.28 -1.16 0.00 0.00 179.01 177.59 3krk n LEU 525 N -3.41 2.34 -0.15 1.33 4.32 -0.74 -4.48 117.00 116.22 3krk n LEU 525 Ca -0.00 0.28 -0.10 0.00 -0.02 0.00 0.00 56.01 56.17 3krk n LEU 525 Cb 0.42 -1.05 -0.01 0.00 -1.62 0.00 0.00 43.42 41.17 3krk n LEU 525 CO 0.33 0.64 0.85 1.23 -1.22 0.00 0.00 177.39 179.22 3krk h GLY 526 N 0.28 0.75 0.77 -0.72 0.00 -0.94 -3.28 103.07 99.94 3krk h GLY 526 Ca -0.41 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.46 3krk h GLY 526 CO -0.05 0.45 0.22 0.00 0.00 0.00 0.00 176.54 177.16 3krk h ALA 527 N 0.94 0.55 0.22 3.60 0.00 -1.42 -1.29 119.26 121.86 3krk h ALA 527 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3krk h ALA 527 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3krk h ALA 527 CO 0.01 -0.14 -0.26 -1.35 0.00 0.00 0.00 179.25 177.50 3krk h PRO 528 N 0.43 -0.52 -1.00 0.00 0.11 -1.77 -1.48 132.00 127.77 3krk h PRO 528 Ca 0.19 0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.46 3krk h PRO 528 Cb 0.10 0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.24 3krk h PRO 528 CO -0.14 -0.34 0.63 0.74 -0.21 0.00 0.00 178.00 178.68 3krk h PHE 529 N -0.54 1.14 0.16 0.65 0.04 -1.58 -2.30 116.94 114.51 3krk h PHE 529 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3krk h PHE 529 Cb 0.51 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3krk h PHE 529 CO -0.19 0.45 -0.08 0.77 -0.60 0.00 0.00 178.31 178.66 3krk h SER 530 N 0.99 -0.18 -0.10 2.17 0.02 -0.96 -1.94 113.55 113.55 3krk h SER 530 Ca 0.50 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3krk h SER 530 Cb 0.49 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3krk h SER 530 CO -0.27 0.33 0.01 -0.26 -1.14 0.00 0.00 176.83 175.50 3krk h PHE 531 N -0.77 0.27 -0.35 3.45 0.04 -1.25 -0.40 116.94 117.92 3krk h PHE 531 Ca -0.02 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 3krk h PHE 531 Cb 0.52 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3krk h PHE 531 CO 0.08 0.28 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.77 3krk h LYS 532 N 0.27 0.68 -0.18 1.51 1.63 -1.42 -0.04 116.57 119.01 3krk h LYS 532 Ca 0.06 -0.26 -0.12 0.00 -0.85 0.00 0.00 60.65 59.49 3krk h LYS 532 Cb 0.18 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3krk h LYS 532 CO 0.00 0.84 -0.38 0.78 -3.45 0.00 0.00 179.45 177.24 3krk h GLY 533 N 0.48 0.44 0.23 5.01 0.00 -0.80 -1.21 103.07 107.21 3krk h GLY 533 Ca 0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3krk h GLY 533 CO 0.03 0.38 -0.05 1.41 0.00 0.00 0.00 176.54 178.32 3krk h LEU 534 N 0.34 -0.11 -0.30 3.11 3.38 -0.95 -3.36 115.31 117.42 3krk h LEU 534 Ca 0.03 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 3krk h LEU 534 Cb 0.83 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3krk h LEU 534 CO 0.07 0.54 -0.57 0.24 0.09 0.00 0.00 178.44 178.80 3krk h MET 535 N -0.90 0.00 -0.02 1.13 2.86 -1.12 -3.22 114.93 113.66 3krk h MET 535 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3krk h MET 535 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3krk h MET 535 CO 0.02 0.57 0.00 0.41 1.06 0.00 0.00 176.91 178.98 3krk n GLY 536 N 0.93 -0.48 3.75 8.32 0.00 -0.46 -4.63 105.19 112.61 3krk n GLY 536 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.42 7.45 0.46 1.61 3.84 -1.22 -2.56 114.94 123.11 3krk s ASN 537 Ca 0.00 1.72 0.26 0.00 0.21 0.00 0.00 52.86 55.05 3krk s ASN 537 Cb 0.00 -2.55 1.29 0.00 -0.55 0.00 0.00 41.25 39.44 3krk s ASN 537 CO 0.00 0.06 1.81 1.55 -2.79 0.00 0.00 177.10 177.73 3krk h PRO 538 N 5.01 0.21 0.00 0.43 0.13 -1.87 0.16 132.00 136.08 3krk h PRO 538 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3krk h PRO 538 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3krk h PRO 538 CO 0.69 0.14 0.00 -0.84 -0.23 0.00 0.00 178.00 177.77 3krk h ILE 539 N 0.22 0.00 0.00 -3.56 3.07 -1.93 -1.77 117.51 113.54 3krk h ILE 539 Ca 0.54 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.76 3krk h ILE 539 Cb 1.71 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 3krk h ILE 539 CO -0.16 0.00 -0.33 0.00 -1.05 0.00 0.00 178.15 176.62 3krk s SER 541 N -3.01 6.65 0.35 0.00 1.04 -0.67 -4.77 113.70 113.29 3krk s SER 541 Ca 0.12 1.74 0.06 0.00 0.48 0.00 0.00 55.95 58.35 3krk s SER 541 Cb 0.18 -2.54 0.74 0.00 0.10 0.00 0.00 66.02 64.50 3krk s SER 541 CO 0.64 -0.57 1.92 -0.65 0.98 0.00 0.00 173.24 175.56 3krk h PRO 542 N 1.53 0.75 0.00 4.02 0.11 -1.90 0.10 132.00 136.61 3krk h PRO 542 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3krk h PRO 542 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3krk h PRO 542 CO 0.60 0.49 0.00 1.04 -0.21 0.00 0.00 178.00 179.93 3krk n GLN 543 N -4.51 0.10 -0.09 1.05 1.13 -1.26 -3.15 117.38 110.65 3krk n GLN 543 Ca 0.13 0.25 -0.10 0.00 -1.94 0.00 0.00 57.00 55.34 3krk n GLN 543 Cb 0.31 -1.66 -0.13 0.00 0.11 0.00 0.00 30.24 28.87 3krk n GLN 543 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3krk n TYR 544 N -1.84 0.00 -2.10 1.08 4.02 0.15 -4.81 117.16 113.66 3krk n TYR 544 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 3krk n TYR 544 Cb 0.26 -0.88 0.00 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 -2.78 3.72 -3.85 -0.72 -0.00 -0.07 -4.62 117.44 109.12 3krk n TRP 545 Ca -0.32 -2.94 -0.11 0.00 -0.00 0.00 0.00 57.50 54.13 3krk n TRP 545 Cb 1.04 -2.42 -0.09 0.00 -0.00 0.00 0.00 31.31 29.84 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 2.68 0.60 0.42 5.87 1.02 -1.26 -4.94 119.74 124.12 3krk s LYS 546 Ca 0.46 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 56.05 3krk s LYS 546 Cb 0.10 0.25 0.91 0.00 -0.52 0.00 0.00 37.83 38.57 3krk s LYS 546 CO -0.03 -0.16 2.04 -1.00 -0.92 0.00 0.00 175.35 175.28 3krk h PRO 547 N 3.85 0.49 -0.12 -1.68 0.13 -1.88 -2.73 132.00 130.06 3krk h PRO 547 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3krk h PRO 547 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3krk h PRO 547 CO 0.44 0.32 0.08 0.66 -0.23 0.00 0.00 178.00 179.28 3krk h SER 548 N 0.51 0.13 -0.10 1.44 4.64 -1.93 0.76 113.55 118.99 3krk h SER 548 Ca 0.18 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3krk h SER 548 Cb 0.09 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3krk h SER 548 CO -0.04 0.09 0.03 0.74 -0.87 0.00 0.00 176.83 176.78 3krk h THR 549 N 0.15 1.09 -0.27 2.95 2.02 -1.74 -3.05 112.91 114.06 3krk h THR 549 Ca 0.04 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3krk h THR 549 Cb -0.01 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3krk h THR 549 CO -0.01 0.11 -0.00 0.49 0.37 0.00 0.00 175.52 176.48 3krk n PHE 550 N -4.44 0.96 -0.61 3.16 3.72 -0.67 -4.90 117.46 114.68 3krk n PHE 550 Ca -0.01 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.42 3krk n PHE 550 Cb 0.14 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 -0.62 0.68 0.00 1.37 0.00 -1.13 -3.90 105.19 101.58 3krk n GLY 551 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.61 -0.71 0.36 -0.02 0.00 0.17 -4.65 105.19 97.74 3krk n GLY 552 Ca 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 46.02 43.87 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 5.85 0.76 0.02 1.61 4.39 -1.91 -1.85 114.58 123.45 3krk h GLU 553 Ca 0.00 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3krk h GLU 553 Cb 0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3krk h GLU 553 CO 0.00 0.50 -0.06 0.28 -1.16 0.00 0.00 179.01 178.57 3krk h VAL 554 N 0.78 0.85 -0.52 3.13 2.07 -1.91 0.14 116.25 120.78 3krk h VAL 554 Ca 0.40 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.83 3krk h VAL 554 Cb 0.48 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3krk h VAL 554 CO -0.17 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.64 3krk h GLY 555 N -0.12 1.01 0.66 2.17 0.00 -1.60 -2.58 103.07 102.61 3krk h GLY 555 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 47.33 46.67 3krk h GLY 555 CO -0.05 0.70 0.60 -2.75 0.00 0.00 0.00 176.54 175.04 3krk h PHE 556 N 0.81 1.11 -0.47 5.60 3.57 -1.21 -2.48 116.94 123.86 3krk h PHE 556 Ca 0.15 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3krk h PHE 556 Cb 0.55 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3krk h PHE 556 CO 0.04 0.53 0.03 -0.22 -2.23 0.00 0.00 178.31 176.47 3krk h LYS 557 N 1.06 0.76 -0.35 1.11 3.64 -0.44 -2.51 116.57 119.84 3krk h LYS 557 Ca 0.43 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3krk h LYS 557 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3krk h LYS 557 CO -0.20 0.75 0.17 0.82 -2.27 0.00 0.00 179.45 178.72 3krk h ILE 558 N 0.72 0.98 0.53 2.00 2.04 -1.06 -1.95 117.51 120.77 3krk h ILE 558 Ca 0.15 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3krk h ILE 558 Cb 0.39 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3krk h ILE 558 CO 0.01 0.06 -0.27 0.40 0.00 0.00 0.00 178.15 178.36 3krk h ILE 559 N 0.36 0.45 0.00 -0.67 2.04 -1.47 -2.56 117.51 115.65 3krk h ILE 559 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3krk h ILE 559 Cb 0.06 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3krk h ILE 559 CO -0.11 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.63 3krk n ASN 560 N -5.41 0.00 0.00 1.72 4.13 -0.95 -2.21 115.26 112.54 3krk n ASN 560 Ca -0.12 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.24 3krk n ASN 560 Cb 0.31 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 3krk n ASN 560 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3krk n THR 561 N -1.34 0.39 -1.84 3.41 -2.24 -0.75 -5.06 114.28 106.86 3krk n THR 561 Ca 0.09 -0.69 -0.39 0.00 -2.27 0.00 0.00 64.05 60.79 3krk n THR 561 Cb 0.19 0.81 0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.39 3.01 0.17 6.98 0.00 -0.94 -4.97 121.76 125.62 3krk s ALA 562 Ca 0.00 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 3krk s ALA 562 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3krk s ALA 562 CO 0.00 -1.23 0.43 -1.54 0.00 0.00 0.00 175.76 173.42 3krk s SER 563 N -0.81 -0.16 0.36 0.00 1.04 -1.26 -4.65 113.70 108.22 3krk s SER 563 Ca 0.66 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.59 3krk s SER 563 Cb -0.41 0.52 0.68 0.00 0.10 0.00 0.00 66.02 66.91 3krk s SER 563 CO 0.50 -0.97 1.89 -0.29 0.98 0.00 0.00 173.24 175.35 3krk h ILE 564 N 2.33 1.19 -0.09 -1.02 6.09 -1.96 -0.85 117.51 123.20 3krk h ILE 564 Ca -0.30 -0.77 -0.00 0.00 -1.37 0.00 0.00 64.86 62.41 3krk h ILE 564 Cb 1.25 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 3krk h ILE 564 CO 0.42 0.25 0.04 -0.61 -3.07 0.00 0.00 178.15 175.19 3krk h GLN 565 N 0.39 0.13 0.00 2.19 5.75 -1.97 -2.82 115.11 118.78 3krk h GLN 565 Ca 0.08 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3krk h GLN 565 Cb 0.34 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3krk h GLN 565 CO 0.01 0.22 -0.48 0.66 -2.65 0.00 0.00 178.83 176.59 3krk h SER 566 N 0.00 0.00 -0.62 -0.69 4.64 -1.87 0.88 113.55 115.90 3krk h SER 566 Ca 0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3krk h SER 566 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3krk h SER 566 CO -0.00 0.48 0.41 0.25 -0.87 0.00 0.00 176.83 177.10 3krk h LEU 567 N 0.00 0.70 0.09 5.97 5.85 -1.12 -1.20 115.31 125.60 3krk h LEU 567 Ca -0.00 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.48 3krk h LEU 567 Cb 0.95 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 41.83 3krk h LEU 567 CO 0.06 0.51 -0.93 0.40 -0.34 0.00 0.00 178.44 178.14 3krk h ILE 568 N 0.83 1.40 -0.61 4.05 5.03 -1.23 -3.18 117.51 123.80 3krk h ILE 568 Ca 0.23 -2.37 0.07 0.00 -0.12 0.00 0.00 64.86 62.66 3krk h ILE 568 Cb -0.09 2.83 -0.06 0.00 -3.03 0.00 0.00 36.82 36.47 3krk h ILE 568 CO -0.05 0.70 0.30 0.00 -0.68 0.00 0.00 178.15 178.41 3krk h ASN 570 N 0.55 0.00 0.00 0.00 2.35 -1.32 -3.37 115.58 113.79 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 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3krk h ASN 570 CO -0.22 0.22 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3krk n ASN 571 N -3.40 0.64 -4.11 5.81 3.02 -0.98 -5.00 115.26 111.24 3krk n ASN 571 Ca 0.00 -0.89 -0.30 0.00 -0.03 0.00 0.00 54.58 53.36 3krk n ASN 571 Cb 0.42 0.13 -0.17 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.13 1.68 0.05 2.41 1.01 -0.07 -4.96 120.40 120.39 3krk s VAL 572 Ca 0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 61.98 60.86 3krk s VAL 572 Cb 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 36.38 34.72 3krk s VAL 572 CO 0.00 0.48 1.51 1.17 0.00 0.00 0.00 175.10 178.26 3krk n LYS 573 N 4.03 1.56 -0.70 2.72 4.81 -1.26 -1.83 118.16 127.47 3krk n LYS 573 Ca -0.20 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3krk n LYS 573 Cb 0.52 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.30 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 3.18 0.81 3.93 3.14 0.00 -1.26 -4.52 105.19 110.47 3krk n GLY 574 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.29 3.38 0.36 0.00 0.04 -1.26 -4.89 135.00 126.35 3krk s PRO 576 Ca 0.27 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 3krk s PRO 576 Cb -0.15 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 3krk s PRO 576 CO 0.88 -0.88 1.49 0.12 0.04 0.00 0.00 177.00 178.65 3krk s PHE 577 N -1.54 2.64 0.14 0.56 5.36 -1.26 -4.64 117.98 119.23 3krk s PHE 577 Ca 0.70 1.14 -0.09 0.00 -0.96 0.00 0.00 56.93 57.72 3krk s PHE 577 Cb -0.31 -4.01 -0.01 0.00 -0.34 0.00 0.00 43.02 38.36 3krk s PHE 577 CO 0.35 -2.99 0.25 -0.08 -1.46 0.00 0.00 175.22 171.30 3krk s THR 578 N -0.99 0.09 0.07 0.12 -1.32 -1.26 -4.78 115.64 107.58 3krk s THR 578 Ca 0.54 -1.30 -0.26 0.00 -1.21 0.00 0.00 61.69 59.45 3krk s THR 578 Cb -0.46 -1.65 0.09 0.00 -1.51 0.00 0.00 72.50 68.97 3krk s THR 578 CO 0.61 -0.42 1.17 -0.94 -2.21 0.00 0.00 174.62 172.82 3krk s SER 579 N -2.93 -0.03 0.00 8.08 1.04 -1.26 -4.61 113.70 113.99 3krk s SER 579 Ca 0.13 -0.37 0.28 0.00 0.48 0.00 0.00 55.95 56.46 3krk s SER 579 Cb 0.04 0.31 1.06 0.00 0.10 0.00 0.00 66.02 67.53 3krk s SER 579 CO -0.04 -0.60 1.75 0.49 0.98 0.00 0.00 173.24 175.82 3krk n PHE 580 N -0.69 0.00 -4.36 5.02 3.72 -1.26 -4.66 117.46 115.23 3krk n PHE 580 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 3krk n PHE 580 Cb 0.60 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.16 2.95 0.00 4.37 4.22 -1.26 -1.33 114.94 121.73 3krk s ASN 581 Ca 0.35 -0.82 0.25 0.00 -2.14 0.00 0.00 52.86 50.50 3krk s ASN 581 Cb 0.21 -0.19 1.50 0.00 1.28 0.00 0.00 41.25 44.05 3krk s ASN 581 CO 0.39 0.05 1.86 1.33 -2.04 0.00 0.00 177.10 178.69