#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krs s ARG 3 N 0.00 4.62 -0.01 4.33 0.52 -1.26 -4.96 118.95 122.18 3krs s ARG 3 Ca 0.00 1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.73 3krs s ARG 3 Cb 0.00 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3krs s ARG 3 CO 0.00 0.18 1.16 0.21 0.02 0.00 0.00 175.30 176.86 3krs s LYS 4 N -1.33 4.41 0.82 3.54 2.20 -1.26 -5.02 119.74 123.11 3krs s LYS 4 Ca 0.45 1.65 -0.10 0.00 -0.36 0.00 0.00 55.97 57.61 3krs s LYS 4 Cb -0.32 -3.48 0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3krs s LYS 4 CO 0.41 -0.32 1.11 0.71 -0.36 0.00 0.00 175.35 176.89 3krs s TYR 5 N 1.67 2.27 -0.08 4.03 2.02 -1.26 -4.85 117.35 121.15 3krs s TYR 5 Ca 0.56 1.62 -0.02 0.00 -0.37 0.00 0.00 57.07 58.85 3krs s TYR 5 Cb -0.25 -3.14 0.04 0.00 -0.40 0.00 0.00 41.96 38.20 3krs s TYR 5 CO 0.25 -2.13 0.03 0.12 -1.57 0.00 0.00 175.55 172.25 3krs s PHE 6 N -2.83 0.46 -0.24 2.71 5.36 -0.36 -0.92 117.98 122.17 3krs s PHE 6 Ca 0.63 -0.12 -0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3krs s PHE 6 Cb -0.19 -0.71 0.03 0.00 -0.34 0.00 0.00 43.02 41.81 3krs s PHE 6 CO 0.57 -0.33 -0.10 0.08 -1.46 0.00 0.00 175.22 173.97 3krs s VAL 7 N 2.04 2.55 0.02 3.12 1.01 0.32 -1.27 120.40 128.20 3krs s VAL 7 Ca 0.04 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3krs s VAL 7 Cb -0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3krs s VAL 7 CO -0.05 0.21 -0.10 -0.83 0.00 0.00 0.00 175.10 174.33 3krs s GLY 8 N 1.26 1.71 -0.32 4.51 0.00 0.28 -1.34 107.32 113.43 3krs s GLY 8 Ca -0.01 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.65 3krs s GLY 8 CO -0.06 -0.97 0.03 -0.32 0.00 0.00 0.00 173.10 171.78 3krs s GLY 9 N -1.52 1.81 -0.51 0.20 0.00 0.60 -0.39 107.32 107.50 3krs s GLY 9 Ca 0.17 -2.33 -0.25 0.00 0.00 0.00 0.00 44.72 42.31 3krs s GLY 9 CO 0.08 0.95 0.96 0.21 0.00 0.00 0.00 173.10 175.30 3krs s ASN 10 N 1.00 6.42 0.36 1.64 2.47 0.51 -0.42 114.94 126.92 3krs s ASN 10 Ca 0.08 -0.10 0.27 0.00 0.42 0.00 0.00 52.86 53.53 3krs s ASN 10 Cb -0.19 -2.45 1.02 0.00 -1.45 0.00 0.00 41.25 38.18 3krs s ASN 10 CO -0.09 -1.18 1.80 -0.26 -3.72 0.00 0.00 177.10 173.65 3krs h PHE 11 N 9.23 0.00 0.00 0.43 0.04 -1.66 -3.41 116.94 121.58 3krs h PHE 11 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3krs h PHE 11 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3krs h PHE 11 CO 0.91 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 180.25 3krs n LYS 12 N -2.60 0.00 -2.68 1.51 5.02 -1.26 -3.29 118.16 114.85 3krs n LYS 12 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 3krs n LYS 12 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 3krs n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krs s ASN 14 N 0.59 -0.04 0.00 0.00 0.01 -1.21 -5.15 114.94 109.14 3krs s ASN 14 Ca 0.37 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3krs s ASN 14 Cb 0.05 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.99 3krs s ASN 14 CO 0.02 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 3krs n GLY 15 N 0.99 4.00 3.41 0.66 0.00 -1.26 -4.72 105.19 108.26 3krs n GLY 15 Ca -0.20 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 3krs n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3krs s THR 16 N -1.41 1.38 0.20 2.61 -4.23 -1.26 -5.00 115.64 107.94 3krs s THR 16 Ca 0.00 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.34 3krs s THR 16 Cb 0.00 -2.51 0.14 0.00 1.34 0.00 0.00 72.50 71.47 3krs s THR 16 CO 0.00 -0.24 1.73 0.11 -0.54 0.00 0.00 174.62 175.69 3krs h LYS 17 N 2.29 0.33 -0.27 3.99 1.57 -2.01 -0.50 116.57 121.98 3krs h LYS 17 Ca -0.40 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 3krs h LYS 17 Cb 1.23 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3krs h LYS 17 CO 0.67 0.22 -0.37 1.49 -0.57 0.00 0.00 179.45 180.89 3krs h GLU 18 N 0.34 0.72 -0.40 3.15 4.81 -1.99 -1.42 114.58 119.80 3krs h GLU 18 Ca 0.29 -0.42 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 3krs h GLU 18 Cb 0.37 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3krs h GLU 18 CO -0.32 1.04 -0.29 0.66 -0.73 0.00 0.00 179.01 179.37 3krs h SER 19 N 0.46 0.90 0.03 1.04 4.64 -1.89 -2.49 113.55 116.24 3krs h SER 19 Ca 0.03 -0.37 -0.15 0.00 -0.47 0.00 0.00 61.79 60.83 3krs h SER 19 Cb 0.96 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3krs h SER 19 CO 0.09 1.13 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.58 3krs h LEU 20 N 0.74 0.60 -0.30 5.97 3.38 -1.08 -1.46 115.31 123.15 3krs h LEU 20 Ca 0.08 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3krs h LEU 20 Cb 0.85 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3krs h LEU 20 CO 0.07 1.01 0.08 0.11 0.09 0.00 0.00 178.44 179.81 3krs h LYS 21 N 0.42 0.20 -0.53 1.13 1.57 -1.10 0.49 116.57 118.75 3krs h LYS 21 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3krs h LYS 21 Cb 1.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3krs h LYS 21 CO 0.10 0.13 0.27 1.15 -0.57 0.00 0.00 179.45 180.53 3krs h THR 22 N 0.20 1.19 -0.18 -0.16 2.02 -1.31 -1.78 112.91 112.90 3krs h THR 22 Ca 0.13 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3krs h THR 22 Cb 0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3krs h THR 22 CO -0.16 0.21 0.03 0.25 0.37 0.00 0.00 175.52 176.22 3krs h LEU 23 N 0.71 0.28 -0.98 2.58 5.85 -0.89 -2.81 115.31 120.06 3krs h LEU 23 Ca 0.18 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 3krs h LEU 23 Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3krs h LEU 23 CO -0.03 0.48 -0.37 0.40 -0.34 0.00 0.00 178.44 178.59 3krs h ILE 24 N 0.08 1.29 -0.74 4.05 1.08 -0.86 -0.85 117.51 121.56 3krs h ILE 24 Ca 0.05 -1.42 0.07 0.00 -0.39 0.00 0.00 64.86 63.17 3krs h ILE 24 Cb 0.32 1.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 3krs h ILE 24 CO 0.00 0.43 0.49 0.44 -0.69 0.00 0.00 178.15 178.82 3krs h ASP 25 N 0.24 0.67 -0.02 1.72 3.32 -1.19 -0.33 116.42 120.83 3krs h ASP 25 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3krs h ASP 25 Cb 0.76 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3krs h ASP 25 CO 0.06 0.43 -0.04 -1.28 -1.72 0.00 0.00 179.24 176.69 3krs h SER 26 N 0.76 0.06 -0.70 6.45 0.87 -1.04 -3.27 113.55 116.68 3krs h SER 26 Ca 0.33 -0.57 0.09 0.00 -1.23 0.00 0.00 61.79 60.40 3krs h SER 26 Cb 0.29 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 3krs h SER 26 CO -0.11 0.62 0.46 -0.26 -0.53 0.00 0.00 176.83 177.01 3krs h PHE 27 N -0.49 0.64 -0.01 2.24 0.04 -0.69 -0.46 116.94 118.21 3krs h PHE 27 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3krs h PHE 27 Cb 0.61 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3krs h PHE 27 CO 0.12 0.31 0.05 0.87 -0.60 0.00 0.00 178.31 179.06 3krs h LYS 28 N 0.61 0.00 0.00 1.51 1.57 -1.12 -1.60 116.57 117.54 3krs h LYS 28 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3krs h LYS 28 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3krs h LYS 28 CO -0.11 0.00 0.00 1.96 -0.57 0.00 0.00 179.45 180.73 3krs h GLN 29 N 0.00 0.00 -6.29 3.15 1.08 -1.17 -3.42 115.11 108.46 3krs h GLN 29 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3krs h GLN 29 Cb 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3krs h GLN 29 CO -0.00 0.00 1.10 0.08 -0.95 0.00 0.00 178.83 179.06 3krs s VAL 30 N -3.23 3.77 0.05 -0.54 1.01 -0.60 -4.90 120.40 115.95 3krs s VAL 30 Ca 0.07 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3krs s VAL 30 Cb 0.10 -3.77 -0.30 0.00 0.00 0.00 0.00 36.38 32.42 3krs s VAL 30 CO 0.54 -0.31 1.04 -0.33 0.00 0.00 0.00 175.10 176.04 3krs h GLU 31 N 10.43 0.31 -2.94 2.72 5.08 -1.89 -3.44 114.58 124.87 3krs h GLU 31 Ca -0.33 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.51 3krs h GLU 31 Cb 1.14 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 30.48 3krs h GLU 31 CO 1.00 1.23 0.24 -1.54 -1.00 0.00 0.00 179.01 178.95 3krs s SER 32 N -7.18 -0.50 -0.24 1.42 1.04 -1.26 -4.86 113.70 102.12 3krs s SER 32 Ca -0.06 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.05 3krs s SER 32 Cb 0.06 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.85 3krs s SER 32 CO 0.89 -1.01 0.64 -0.55 0.98 0.00 0.00 173.24 174.19 3krs s SER 33 N -2.76 -0.70 0.00 7.02 0.15 -1.26 -5.01 113.70 111.13 3krs s SER 33 Ca 0.03 1.31 0.26 0.00 0.70 0.00 0.00 55.95 58.26 3krs s SER 33 Cb -0.02 1.30 1.24 0.00 -1.71 0.00 0.00 66.02 66.83 3krs s SER 33 CO -0.09 -0.22 1.88 0.59 1.20 0.00 0.00 173.24 176.59 3krs n ASN 34 N 3.02 0.00 -4.72 5.45 5.03 -1.26 -4.89 115.26 117.89 3krs n ASN 34 Ca -0.15 0.19 -0.25 0.00 0.87 0.00 0.00 54.58 55.24 3krs n ASN 34 Cb 0.56 -0.39 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 3krs n ASN 34 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3krs s SER 35 N -2.77 5.03 0.34 6.41 0.15 -1.26 -4.60 113.70 116.99 3krs s SER 35 Ca 0.19 -0.36 -0.28 0.00 0.70 0.00 0.00 55.95 56.20 3krs s SER 35 Cb 0.18 -1.15 -0.09 0.00 -1.71 0.00 0.00 66.02 63.25 3krs s SER 35 CO 0.44 0.04 1.18 -1.61 1.20 0.00 0.00 173.24 174.50 3krs s GLU 36 N -3.30 4.34 -0.11 5.44 2.02 -0.10 -4.94 118.70 122.05 3krs s GLU 36 Ca 0.30 1.93 -0.01 0.00 0.02 0.00 0.00 54.97 57.21 3krs s GLU 36 Cb -0.09 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.22 3krs s GLU 36 CO 0.21 -0.10 -0.03 0.08 0.02 0.00 0.00 175.26 175.44 3krs s VAL 37 N -1.26 0.70 0.06 2.63 1.01 -1.26 -0.52 120.40 121.78 3krs s VAL 37 Ca 0.50 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.42 3krs s VAL 37 Cb -0.34 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3krs s VAL 37 CO 0.43 0.26 -0.23 -0.31 0.00 0.00 0.00 175.10 175.25 3krs s TYR 38 N 1.83 2.04 0.03 5.22 1.51 -0.45 -0.46 117.35 127.07 3krs s TYR 38 Ca 0.04 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 3krs s TYR 38 Cb -0.13 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 3krs s TYR 38 CO -0.07 0.15 -0.20 0.14 -1.11 0.00 0.00 175.55 174.46 3krs s VAL 39 N -0.88 2.63 -0.58 0.71 -7.23 -0.24 -0.29 120.40 114.51 3krs s VAL 39 Ca 0.10 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3krs s VAL 39 Cb -0.09 -2.08 0.14 0.00 0.56 0.00 0.00 36.38 34.91 3krs s VAL 39 CO 0.03 0.37 0.34 -0.36 -0.31 0.00 0.00 175.10 175.17 3krs s PHE 40 N -0.87 3.28 0.99 2.82 0.08 0.44 -0.96 117.98 123.76 3krs s PHE 40 Ca 0.14 -3.22 -0.15 0.00 0.12 0.00 0.00 56.93 53.82 3krs s PHE 40 Cb -0.10 -2.75 0.19 0.00 -0.57 0.00 0.00 43.02 39.79 3krs s PHE 40 CO 0.04 -0.67 1.18 -2.14 -0.10 0.00 0.00 175.22 173.53 3krs s PRO 41 N -0.69 0.45 0.81 0.24 0.02 -1.25 -1.90 135.00 132.68 3krs s PRO 41 Ca 0.20 0.00 -0.11 0.00 0.02 0.00 0.00 61.00 61.11 3krs s PRO 41 Cb -0.18 -1.79 0.08 0.00 0.02 0.00 0.00 34.50 32.64 3krs s PRO 41 CO -0.06 -2.61 1.12 0.95 -0.33 0.00 0.00 177.00 176.07 3krs s THR 42 N -3.39 2.82 0.42 0.99 -4.23 -1.26 -4.28 115.64 106.70 3krs s THR 42 Ca 0.68 0.28 0.10 0.00 -1.18 0.00 0.00 61.69 61.58 3krs s THR 42 Cb -0.10 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.42 3krs s THR 42 CO 0.54 -0.33 2.01 0.77 -0.54 0.00 0.00 174.62 177.06 3krs h SER 43 N -1.25 0.44 0.13 3.99 4.64 -1.96 -0.84 113.55 118.70 3krs h SER 43 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3krs h SER 43 Cb 1.25 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3krs h SER 43 CO 0.48 0.29 -0.07 0.25 -0.87 0.00 0.00 176.83 176.90 3krs h LEU 44 N 0.50 0.00 -0.21 5.97 5.85 -2.03 -3.21 115.31 122.18 3krs h LEU 44 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3krs h LEU 44 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3krs h LEU 44 CO -0.06 0.07 -0.65 1.41 -0.34 0.00 0.00 178.44 178.87 3krs n HIS 45 N -4.04 0.00 -0.01 1.25 8.25 -0.36 -4.68 115.22 115.63 3krs n HIS 45 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 3krs n HIS 45 Cb 0.16 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 3krs n HIS 45 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3krs h ILE 46 N 0.45 0.60 -0.64 1.59 2.04 -1.46 0.82 117.51 120.91 3krs h ILE 46 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3krs h ILE 46 Cb 0.42 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3krs h ILE 46 CO 0.00 0.00 0.42 -1.28 0.00 0.00 0.00 178.15 177.29 3krs h SER 47 N -0.17 0.72 -0.52 1.72 0.87 -1.83 -1.32 113.55 113.02 3krs h SER 47 Ca 0.10 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3krs h SER 47 Cb 0.32 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3krs h SER 47 CO -0.25 0.51 0.01 -0.07 -0.53 0.00 0.00 176.83 176.50 3krs h LEU 48 N 0.85 0.89 -0.80 2.23 4.07 -1.76 -1.38 115.31 119.41 3krs h LEU 48 Ca 0.24 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 3krs h LEU 48 Cb -0.08 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.39 3krs h LEU 48 CO -0.06 0.97 0.44 0.58 -1.08 0.00 0.00 178.44 179.29 3krs h VAL 49 N 0.78 1.24 -0.75 1.22 2.07 -0.52 0.34 116.25 120.63 3krs h VAL 49 Ca 0.15 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3krs h VAL 49 Cb 0.51 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3krs h VAL 49 CO 0.02 0.26 0.47 0.11 0.02 0.00 0.00 177.57 178.46 3krs h LYS 50 N 1.10 0.88 -0.45 1.57 1.57 -1.07 -1.86 116.57 118.31 3krs h LYS 50 Ca 0.28 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3krs h LYS 50 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3krs h LYS 50 CO -0.04 0.58 0.29 1.49 -0.57 0.00 0.00 179.45 181.20 3krs h GLU 51 N 0.91 0.57 -0.58 3.15 4.81 -0.39 -1.27 114.58 121.79 3krs h GLU 51 Ca 0.30 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3krs h GLU 51 Cb 0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3krs h GLU 51 CO -0.12 0.38 0.11 0.74 -0.73 0.00 0.00 179.01 179.39 3krs h PHE 52 N 0.59 0.95 -0.61 0.92 0.04 -0.57 -2.14 116.94 116.12 3krs h PHE 52 Ca 0.17 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 3krs h PHE 52 Cb -0.04 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.81 3krs h PHE 52 CO -0.05 0.81 0.00 0.74 -0.60 0.00 0.00 178.31 179.21 3krs h PHE 53 N 0.87 1.17 -0.51 -0.55 0.04 -1.16 -3.46 116.94 113.34 3krs h PHE 53 Ca 0.18 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3krs h PHE 53 Cb 0.36 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3krs h PHE 53 CO 0.02 1.03 0.00 0.41 -0.60 0.00 0.00 178.31 179.17 3krs n GLY 54 N -0.43 -0.38 0.22 -1.45 0.00 -0.50 -4.38 105.19 98.27 3krs n GLY 54 Ca 0.03 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 45.05 3krs n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3krs n ASN 55 N -1.42 2.59 -2.72 1.61 6.94 -1.26 -4.63 115.26 116.37 3krs n ASN 55 Ca 0.00 -2.92 -0.06 0.00 -0.02 0.00 0.00 54.58 51.58 3krs n ASN 55 Cb 0.00 -0.39 0.04 0.00 -2.36 0.00 0.00 39.78 37.07 3krs n ASN 55 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3krs n ASP 56 N -1.12 1.28 -4.98 0.53 10.43 -1.26 -5.11 116.55 116.32 3krs n ASP 56 Ca 0.15 -2.46 -0.20 0.00 2.57 0.00 0.00 54.79 54.85 3krs n ASP 56 Cb 0.63 -0.42 0.02 0.00 1.84 0.00 0.00 41.12 43.19 3krs n ASP 56 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 3krs s HIS 57 N -3.14 2.24 -0.61 1.24 -3.43 -1.26 -5.01 115.29 105.32 3krs s HIS 57 Ca 0.26 -0.56 0.15 0.00 -0.80 0.00 0.00 55.06 54.11 3krs s HIS 57 Cb 0.41 -2.24 0.72 0.00 -1.43 0.00 0.00 32.58 30.04 3krs s HIS 57 CO 0.00 -0.59 1.46 -2.30 -2.00 0.00 0.00 174.74 171.31 3krs n PRO 58 N -1.90 0.09 -1.79 -0.38 -0.02 -1.26 -4.86 135.00 124.88 3krs n PRO 58 Ca 0.08 0.49 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3krs n PRO 58 Cb 0.61 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 3krs n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krs n GLY 59 N -0.87 0.36 0.11 -1.23 0.00 -1.26 -4.94 105.19 97.36 3krs n GLY 59 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 3krs n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3krs h VAL 60 N 0.00 1.23 -3.17 1.61 2.07 -1.89 -3.47 116.25 112.63 3krs h VAL 60 Ca -0.12 -2.37 -0.59 0.00 0.82 0.00 0.00 66.70 64.44 3krs h VAL 60 Cb 0.84 2.83 -0.05 0.00 -1.52 0.00 0.00 31.29 33.39 3krs h VAL 60 CO 0.15 0.62 -0.11 -0.36 0.02 0.00 0.00 177.57 177.89 3krs s PHE 61 N -2.40 3.73 0.34 1.57 0.08 -1.26 -3.98 117.98 116.06 3krs s PHE 61 Ca -0.20 1.12 0.09 0.00 0.12 0.00 0.00 56.93 58.06 3krs s PHE 61 Cb 0.03 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.97 3krs s PHE 61 CO 0.73 0.53 -0.09 0.15 -0.10 0.00 0.00 175.22 176.44 3krs s LYS 62 N -0.79 1.84 -0.12 0.44 1.02 0.39 -5.02 119.74 117.51 3krs s LYS 62 Ca 0.27 -1.92 -0.02 0.00 0.02 0.00 0.00 55.97 54.32 3krs s LYS 62 Cb -0.18 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 3krs s LYS 62 CO 0.16 0.14 -0.06 0.42 -0.92 0.00 0.00 175.35 175.09 3krs s ILE 63 N -2.60 3.77 0.31 2.17 -1.09 -1.26 -1.08 121.20 121.41 3krs s ILE 63 Ca 0.33 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 3krs s ILE 63 Cb 0.02 -2.60 -0.06 0.00 -1.58 0.00 0.00 42.46 38.24 3krs s ILE 63 CO 0.17 0.54 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.57 3krs s GLY 64 N -0.15 1.98 0.18 6.18 0.00 -0.13 -4.13 107.32 111.26 3krs s GLY 64 Ca 0.02 -2.00 0.04 0.00 0.00 0.00 0.00 44.72 42.78 3krs s GLY 64 CO 0.03 -1.86 0.26 -1.35 0.00 0.00 0.00 173.10 170.17 3krs s SER 65 N -3.49 6.06 0.10 1.64 1.04 -0.08 -3.78 113.70 115.20 3krs s SER 65 Ca 0.32 0.04 0.27 0.00 0.48 0.00 0.00 55.95 57.06 3krs s SER 65 Cb 0.06 -1.74 0.86 0.00 0.10 0.00 0.00 66.02 65.30 3krs s SER 65 CO 0.14 0.02 1.72 0.00 0.98 0.00 0.00 173.24 176.10 3krs n GLN 66 N -0.74 0.14 -3.52 4.02 6.02 -1.26 -0.74 117.38 121.30 3krs n GLN 66 Ca -0.08 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 3krs n GLN 66 Cb 0.55 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 3krs n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3krs s ASN 67 N -3.75 -0.40 0.05 1.08 2.47 -1.24 -4.46 114.94 108.69 3krs s ASN 67 Ca 0.11 0.14 0.03 0.00 0.42 0.00 0.00 52.86 53.57 3krs s ASN 67 Cb 0.16 0.39 -0.02 0.00 -1.45 0.00 0.00 41.25 40.32 3krs s ASN 67 CO 0.60 -0.58 -0.11 0.27 -3.72 0.00 0.00 177.10 173.57 3krs s ILE 68 N -2.57 0.80 0.65 -5.21 -4.36 -1.26 -4.91 121.20 104.34 3krs s ILE 68 Ca 0.02 -1.08 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 3krs s ILE 68 Cb -0.01 -0.80 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 3krs s ILE 68 CO -0.06 -0.24 1.26 -0.55 0.24 0.00 0.00 174.94 175.60 3krs s SER 69 N -1.46 4.64 0.00 4.36 0.15 -0.24 -4.93 113.70 116.23 3krs s SER 69 Ca -0.05 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.43 3krs s SER 69 Cb -0.09 -2.61 1.39 0.00 -1.71 0.00 0.00 66.02 63.00 3krs s SER 69 CO 0.01 -1.97 1.98 0.00 1.20 0.00 0.00 173.24 174.45 3krs s THR 71 N -2.62 2.21 0.00 0.00 -4.23 -1.26 -4.89 115.64 104.85 3krs s THR 71 Ca 0.26 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3krs s THR 71 Cb 0.20 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3krs s THR 71 CO 0.48 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3krs n GLY 72 N -0.84 -0.67 3.75 3.99 0.00 -1.26 -4.61 105.19 105.55 3krs n GLY 72 Ca -0.05 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3krs n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3krs s ASN 73 N -1.00 4.73 0.00 1.61 0.02 -1.26 -4.89 114.94 114.15 3krs s ASN 73 Ca 0.00 2.16 0.00 0.00 -1.02 0.00 0.00 52.86 54.00 3krs s ASN 73 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.70 3krs s ASN 73 CO 0.00 -1.89 0.00 0.61 0.02 0.00 0.00 177.10 175.84 3krs n GLY 74 N -0.10 0.46 2.94 0.66 0.00 -1.26 -5.00 105.19 102.90 3krs n GLY 74 Ca 0.12 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3krs n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krs n ALA 75 N -0.79 5.17 -3.25 4.61 0.00 -1.26 -4.70 120.51 120.29 3krs n ALA 75 Ca 0.00 -4.25 -0.25 0.00 0.00 0.00 0.00 53.44 48.94 3krs n ALA 75 Cb 0.00 -3.06 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 3krs n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3krs n PHE 76 N 4.40 1.61 -1.67 0.00 3.72 -1.26 -5.10 117.46 119.16 3krs n PHE 76 Ca 0.41 -3.85 -0.45 0.00 -0.05 0.00 0.00 57.45 53.50 3krs n PHE 76 Cb 0.38 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 3krs n PHE 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3krs n THR 77 N 0.91 0.62 -0.18 4.37 -1.04 -1.26 -1.55 114.28 116.14 3krs n THR 77 Ca 0.26 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3krs n THR 77 Cb 0.49 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3krs n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3krs n GLY 78 N 2.58 1.55 3.82 3.41 0.00 -1.26 -5.05 105.19 110.25 3krs n GLY 78 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3krs n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krs s GLU 79 N -0.39 2.95 -0.07 1.61 0.41 -0.60 -5.11 118.70 117.51 3krs s GLU 79 Ca 0.00 -0.98 0.02 0.00 -0.41 0.00 0.00 54.97 53.60 3krs s GLU 79 Cb 0.00 -2.61 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 3krs s GLU 79 CO 0.00 0.43 -0.12 0.08 -0.49 0.00 0.00 175.26 175.16 3krs s VAL 80 N -2.01 1.13 0.38 2.63 1.01 -1.26 -5.02 120.40 117.26 3krs s VAL 80 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3krs s VAL 80 Cb -0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3krs s VAL 80 CO 0.25 0.35 0.59 -0.94 0.00 0.00 0.00 175.10 175.35 3krs s SER 81 N 0.67 6.12 0.24 3.32 1.04 -1.26 -1.08 113.70 122.76 3krs s SER 81 Ca -0.15 0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 3krs s SER 81 Cb -0.16 -1.82 0.37 0.00 0.10 0.00 0.00 66.02 64.52 3krs s SER 81 CO 0.04 -0.45 1.83 0.00 0.98 0.00 0.00 173.24 175.64 3krs h GLU 83 N 0.87 1.25 -0.50 0.00 3.07 -1.94 -0.28 114.58 117.05 3krs h GLU 83 Ca 0.39 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 3krs h GLU 83 Cb 0.28 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3krs h GLU 83 CO -0.22 0.83 -0.07 1.98 -1.40 0.00 0.00 179.01 180.13 3krs h MET 84 N 1.29 0.94 -0.43 2.33 4.05 -1.78 -1.87 114.93 119.45 3krs h MET 84 Ca 0.39 -0.34 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 3krs h MET 84 Cb -0.05 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 3krs h MET 84 CO -0.11 1.00 0.12 -0.07 0.23 0.00 0.00 176.91 178.08 3krs h LEU 85 N 0.80 0.64 -0.98 3.39 3.38 -0.78 -2.60 115.31 119.17 3krs h LEU 85 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3krs h LEU 85 Cb 0.62 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3krs h LEU 85 CO 0.04 0.69 0.65 0.50 0.09 0.00 0.00 178.44 180.41 3krs h LYS 86 N 0.56 1.29 0.00 1.13 3.64 -0.91 -0.36 116.57 121.92 3krs h LYS 86 Ca 0.14 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3krs h LYS 86 Cb 0.28 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3krs h LYS 86 CO -0.00 0.85 -0.01 0.22 -2.27 0.00 0.00 179.45 178.24 3krs h ASP 87 N 1.33 0.00 -0.09 4.20 3.58 -1.10 -0.48 116.42 123.86 3krs h ASP 87 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 3krs h ASP 87 Cb -0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3krs h ASP 87 CO -0.08 0.01 0.00 0.80 -2.88 0.00 0.00 179.24 177.09 3krs n MET 88 N -4.49 1.59 -3.32 0.28 1.56 -0.56 -4.94 117.12 107.24 3krs n MET 88 Ca -0.03 -0.88 -0.20 0.00 -0.27 0.00 0.00 57.70 56.32 3krs n MET 88 Cb 0.10 -1.42 0.06 0.00 2.15 0.00 0.00 33.22 34.11 3krs n MET 88 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3krs n ASP 89 N 0.08 -5.75 -4.54 6.12 10.43 -0.19 -5.01 116.55 117.70 3krs n ASP 89 Ca 0.17 -0.41 -0.34 0.00 2.57 0.00 0.00 54.79 56.78 3krs n ASP 89 Cb 0.30 -4.41 -0.11 0.00 1.84 0.00 0.00 41.12 38.73 3krs n ASP 89 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3krs s VAL 90 N -3.23 4.20 -0.12 2.53 1.01 -0.25 -4.93 120.40 119.60 3krs s VAL 90 Ca 0.45 -0.24 0.15 0.00 0.00 0.00 0.00 61.98 62.34 3krs s VAL 90 Cb -0.20 -2.87 0.25 0.00 0.00 0.00 0.00 36.38 33.57 3krs s VAL 90 CO 0.56 0.48 1.14 -0.90 0.00 0.00 0.00 175.10 176.38 3krs n ASP 91 N 3.60 2.41 -3.68 3.32 5.75 -1.26 -3.77 116.55 122.92 3krs n ASP 91 Ca -0.17 -2.87 -0.14 0.00 -0.01 0.00 0.00 54.79 51.60 3krs n ASP 91 Cb 0.52 -0.36 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 3krs n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3krs s SER 93 N -0.04 0.07 0.41 0.00 0.15 -0.37 -0.90 113.70 113.02 3krs s SER 93 Ca -0.03 -0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.16 3krs s SER 93 Cb -0.03 0.17 -0.08 0.00 -1.71 0.00 0.00 66.02 64.36 3krs s SER 93 CO 0.02 -0.27 1.24 -0.76 1.20 0.00 0.00 173.24 174.67 3krs s LEU 94 N -1.09 4.17 -0.01 3.45 1.43 0.08 -1.06 118.68 125.65 3krs s LEU 94 Ca -0.12 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 3krs s LEU 94 Cb -0.07 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3krs s LEU 94 CO 0.00 -0.82 -0.02 -0.69 0.23 0.00 0.00 176.35 175.06 3krs s VAL 95 N -1.35 0.20 -0.53 -1.59 1.01 -0.09 -3.69 120.40 114.36 3krs s VAL 95 Ca 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3krs s VAL 95 Cb -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3krs s VAL 95 CO 0.43 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3krs n GLY 96 N 3.44 0.66 3.55 4.51 0.00 -1.26 -1.33 105.19 114.76 3krs n GLY 96 Ca -0.18 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 3krs n GLY 96 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3krs n HIS 97 N -3.07 0.76 -0.33 1.61 -0.00 -1.26 -4.42 115.22 108.50 3krs n HIS 97 Ca -0.05 0.68 0.17 0.00 -0.00 0.00 0.00 57.72 58.52 3krs n HIS 97 Cb 0.24 -2.17 0.41 0.00 -0.00 0.00 0.00 29.99 28.47 3krs n HIS 97 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3krs h SER 98 N 1.58 0.63 -0.09 0.26 4.64 -1.94 -0.44 113.55 118.19 3krs h SER 98 Ca -0.40 0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 60.92 3krs h SER 98 Cb 1.36 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3krs h SER 98 CO 0.58 0.17 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.13 3krs h GLU 99 N 0.58 0.53 -0.01 4.77 5.08 -1.98 -0.22 114.58 123.32 3krs h GLU 99 Ca 0.59 -0.20 -0.22 0.00 -1.00 0.00 0.00 59.36 58.53 3krs h GLU 99 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3krs h GLU 99 CO -0.37 0.73 -0.91 0.00 -1.00 0.00 0.00 179.01 177.47 3krs h ARG 100 N 0.46 0.41 -0.53 2.33 3.08 -1.45 0.71 114.38 119.40 3krs h ARG 100 Ca 0.07 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3krs h ARG 100 Cb 0.68 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3krs h ARG 100 CO 0.05 1.09 0.26 0.00 -1.07 0.00 0.00 179.97 180.29 3krs h ARG 101 N 0.24 0.76 -0.10 0.04 3.08 -1.16 -1.29 114.38 115.95 3krs h ARG 101 Ca -0.07 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.70 3krs h ARG 101 Cb 1.54 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.46 3krs h ARG 101 CO 0.16 0.63 -0.59 1.96 -1.07 0.00 0.00 179.97 181.05 3krs h GLN 102 N 0.71 0.57 0.00 0.04 4.20 -0.98 -3.35 115.11 116.30 3krs h GLN 102 Ca 0.18 -0.49 -0.31 0.00 0.06 0.00 0.00 58.65 58.09 3krs h GLN 102 Cb 0.12 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 3krs h GLN 102 CO -0.02 1.11 -2.18 0.66 -0.67 0.00 0.00 178.83 177.73 3krs n TYR 103 N -4.16 0.00 -1.31 2.96 4.01 0.24 -4.67 117.16 114.22 3krs n TYR 103 Ca -0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.74 3krs n TYR 103 Cb 0.65 -0.84 0.17 0.00 -0.31 0.00 0.00 39.34 39.01 3krs n TYR 103 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3krs n TYR 104 N -2.71 0.00 -2.14 -0.72 4.01 -0.51 -4.99 117.16 110.10 3krs n TYR 104 Ca -0.29 -1.22 -0.17 0.00 -0.16 0.00 0.00 57.90 56.06 3krs n TYR 104 Cb 1.03 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.84 3krs n TYR 104 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3krs n SER 105 N -1.28 -5.06 -4.58 7.72 7.64 -1.14 -4.93 113.62 111.99 3krs n SER 105 Ca 0.17 0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 3krs n SER 105 Cb 0.66 -4.13 -0.02 0.00 -1.01 0.00 0.00 64.21 59.71 3krs n SER 105 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3krs s GLU 106 N -4.54 3.43 0.73 1.43 2.02 -1.07 -5.00 118.70 115.69 3krs s GLU 106 Ca 0.00 0.49 -0.07 0.00 0.02 0.00 0.00 54.97 55.41 3krs s GLU 106 Cb 0.00 -4.06 0.08 0.00 0.10 0.00 0.00 34.13 30.24 3krs s GLU 106 CO 0.00 -1.77 1.03 0.95 0.02 0.00 0.00 175.26 175.49 3krs s THR 107 N 5.57 2.24 0.45 3.63 -4.23 -1.26 -4.35 115.64 117.69 3krs s THR 107 Ca 0.51 -0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.87 3krs s THR 107 Cb -0.10 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.09 3krs s THR 107 CO 0.27 0.00 2.02 0.44 -0.54 0.00 0.00 174.62 176.81 3krs h ASP 108 N -0.67 0.32 -0.01 3.99 3.32 -1.97 -0.82 116.42 120.57 3krs h ASP 108 Ca -0.44 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.36 3krs h ASP 108 Cb 1.30 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.80 3krs h ASP 108 CO 0.56 0.21 -0.97 1.56 -1.72 0.00 0.00 179.24 178.88 3krs h GLN 109 N 0.36 0.71 -0.63 3.56 7.50 -1.93 -0.58 115.11 124.09 3krs h GLN 109 Ca 0.21 -0.71 -0.02 0.00 0.50 0.00 0.00 58.65 58.63 3krs h GLN 109 Cb 0.35 0.19 -0.03 0.00 0.05 0.00 0.00 27.48 28.04 3krs h GLN 109 CO -0.05 1.29 0.32 0.82 -1.50 0.00 0.00 178.83 179.72 3krs h ILE 110 N 0.42 1.21 -0.54 2.54 2.04 -1.82 -1.43 117.51 119.93 3krs h ILE 110 Ca -0.11 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3krs h ILE 110 Cb 1.62 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3krs h ILE 110 CO 0.19 0.24 0.33 0.58 0.00 0.00 0.00 178.15 179.49 3krs h VAL 111 N 0.87 1.07 -0.35 1.67 2.07 -0.96 -0.71 116.25 119.90 3krs h VAL 111 Ca 0.22 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3krs h VAL 111 Cb 0.09 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3krs h VAL 111 CO -0.03 0.12 0.07 -1.13 0.02 0.00 0.00 177.57 176.62 3krs h ASN 112 N 0.65 0.01 -0.88 0.57 -0.00 -0.78 0.78 115.58 115.94 3krs h ASN 112 Ca 0.21 0.06 0.02 0.00 -0.00 0.00 0.00 56.30 56.59 3krs h ASN 112 Cb 0.01 0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.36 3krs h ASN 112 CO -0.09 0.04 0.58 -1.13 -0.00 0.00 0.00 177.43 176.83 3krs h ASN 113 N 0.19 0.99 -0.35 1.15 -0.73 -0.68 -0.67 115.58 115.48 3krs h ASN 113 Ca 0.17 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.18 3krs h ASN 113 Cb 0.19 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 3krs h ASN 113 CO -0.22 0.70 -0.32 0.11 -0.37 0.00 0.00 177.43 177.33 3krs h LYS 114 N 1.16 0.84 -0.15 6.67 1.57 -0.45 -1.37 116.57 124.84 3krs h LYS 114 Ca 0.33 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3krs h LYS 114 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3krs h LYS 114 CO -0.09 1.07 0.01 0.28 -0.57 0.00 0.00 179.45 180.16 3krs h VAL 115 N 0.64 0.92 -0.54 0.50 2.07 -0.50 0.45 116.25 119.78 3krs h VAL 115 Ca 0.06 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3krs h VAL 115 Cb 0.91 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3krs h VAL 115 CO 0.08 0.01 0.33 0.11 0.02 0.00 0.00 177.57 178.12 3krs h LYS 116 N 0.07 0.74 -0.33 1.57 1.57 -1.06 -0.63 116.57 118.50 3krs h LYS 116 Ca 0.07 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3krs h LYS 116 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3krs h LYS 116 CO -0.10 0.54 0.07 -0.22 -0.57 0.00 0.00 179.45 179.16 3krs h LYS 117 N 0.73 0.53 0.06 3.15 1.63 -1.06 -0.82 116.57 120.80 3krs h LYS 117 Ca 0.19 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3krs h LYS 117 Cb -0.01 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3krs h LYS 117 CO -0.04 0.60 -0.03 0.78 -3.45 0.00 0.00 179.45 177.32 3krs h GLY 118 N 0.37 -0.09 1.04 5.01 0.00 -0.66 -2.35 103.07 106.39 3krs h GLY 118 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3krs h GLY 118 CO 0.00 -0.03 0.26 1.41 0.00 0.00 0.00 176.54 178.18 3krs h LEU 119 N -0.10 1.03 -1.75 3.11 3.38 -1.03 -1.55 115.31 118.39 3krs h LEU 119 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3krs h LEU 119 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3krs h LEU 119 CO 0.01 0.94 -0.05 -0.08 0.09 0.00 0.00 178.44 179.35 3krs h GLU 120 N 1.06 0.09 -0.38 1.13 4.81 -1.03 -0.71 114.58 119.55 3krs h GLU 120 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3krs h GLU 120 Cb 0.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3krs h GLU 120 CO -0.01 0.15 0.00 0.09 -0.73 0.00 0.00 179.01 178.51 3krs n ASN 121 N -4.42 1.97 0.00 1.04 3.02 -0.90 -4.93 115.26 111.04 3krs n ASN 121 Ca -0.02 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 3krs n ASN 121 Cb 0.16 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3krs n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krs n GLY 122 N 1.04 0.75 3.79 7.41 0.00 -0.27 -5.02 105.19 112.88 3krs n GLY 122 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3krs n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krs s LEU 123 N 0.00 4.33 -0.01 0.99 1.43 -0.63 -4.96 118.68 119.84 3krs s LEU 123 Ca 0.00 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 3krs s LEU 123 Cb 0.00 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 3krs s LEU 123 CO 0.00 -0.05 1.24 -0.75 0.23 0.00 0.00 176.35 177.02 3krs s LYS 124 N -2.05 4.36 -0.17 1.70 2.20 0.06 -4.15 119.74 121.69 3krs s LYS 124 Ca 0.49 1.75 -0.01 0.00 -0.36 0.00 0.00 55.97 57.83 3krs s LYS 124 Cb -0.18 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3krs s LYS 124 CO 0.23 -0.42 -0.11 0.42 -0.36 0.00 0.00 175.35 175.12 3krs s ILE 125 N 1.92 3.03 -0.62 5.43 -1.09 0.08 -1.24 121.20 128.70 3krs s ILE 125 Ca 0.58 -0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 58.19 3krs s ILE 125 Cb -0.27 -2.31 0.12 0.00 -1.58 0.00 0.00 42.46 38.42 3krs s ILE 125 CO 0.25 0.49 0.68 -0.69 -1.23 0.00 0.00 174.94 174.43 3krs s VAL 126 N 0.92 5.00 -0.15 2.92 1.01 -0.22 -0.75 120.40 129.13 3krs s VAL 126 Ca -0.02 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 3krs s VAL 126 Cb -0.15 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 3krs s VAL 126 CO -0.00 -1.07 0.93 -0.22 0.00 0.00 0.00 175.10 174.74 3krs s LEU 127 N 2.14 4.19 -0.16 3.92 2.96 0.17 -0.91 118.68 130.99 3krs s LEU 127 Ca 0.11 1.34 -0.07 0.00 -0.22 0.00 0.00 54.13 55.29 3krs s LEU 127 Cb -0.23 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3krs s LEU 127 CO 0.03 -0.46 0.09 0.00 -1.32 0.00 0.00 176.35 174.69 3krs s ILE 129 N -0.18 0.17 0.00 0.00 -4.36 -0.69 -4.62 121.20 111.51 3krs s ILE 129 Ca 0.09 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 3krs s ILE 129 Cb -0.12 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.32 3krs s ILE 129 CO 0.01 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.54 3krs n GLY 130 N -0.21 3.44 3.72 6.27 0.00 -1.26 -0.58 105.19 116.57 3krs n GLY 130 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 3krs n GLY 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3krs s GLU 131 N -2.21 2.63 0.90 1.61 1.03 -1.25 -4.85 118.70 116.57 3krs s GLU 131 Ca 0.00 -0.89 -0.13 0.00 0.03 0.00 0.00 54.97 53.98 3krs s GLU 131 Cb 0.00 -2.55 0.14 0.00 -0.80 0.00 0.00 34.13 30.92 3krs s GLU 131 CO 0.00 0.51 1.17 -1.54 -1.33 0.00 0.00 175.26 174.07 3krs s SER 132 N -2.63 3.61 0.19 0.83 1.04 -1.26 -2.20 113.70 113.27 3krs s SER 132 Ca 0.28 0.82 -0.10 0.00 0.48 0.00 0.00 55.95 57.42 3krs s SER 132 Cb -0.11 -1.29 0.11 0.00 0.10 0.00 0.00 66.02 64.83 3krs s SER 132 CO 0.20 -2.47 1.76 0.25 0.98 0.00 0.00 173.24 173.95 3krs h LEU 133 N -1.45 0.91 -0.74 2.42 5.85 -1.82 -0.43 115.31 120.05 3krs h LEU 133 Ca -0.48 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 3krs h LEU 133 Cb 1.32 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3krs h LEU 133 CO 0.59 0.82 0.28 -1.28 -0.34 0.00 0.00 178.44 178.51 3krs h SER 134 N 0.95 1.03 -0.25 1.25 0.87 -1.96 -0.39 113.55 115.05 3krs h SER 134 Ca 0.23 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3krs h SER 134 Cb 0.18 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3krs h SER 134 CO -0.02 0.93 0.14 -0.33 -0.53 0.00 0.00 176.83 177.02 3krs h GLU 135 N 1.07 0.35 -0.30 2.24 5.08 -1.87 -1.69 114.58 119.47 3krs h GLU 135 Ca 0.24 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3krs h GLU 135 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3krs h GLU 135 CO -0.02 0.30 0.15 -0.09 -1.00 0.00 0.00 179.01 178.36 3krs h ARG 136 N 0.30 0.42 0.00 2.33 2.43 -0.77 0.09 114.38 119.19 3krs h ARG 136 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3krs h ARG 136 Cb 0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3krs h ARG 136 CO -0.01 0.38 -0.22 0.93 -1.51 0.00 0.00 179.97 179.54 3krs h GLU 137 N 0.35 0.00 -0.41 0.20 5.08 -0.96 -2.24 114.58 116.60 3krs h GLU 137 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3krs h GLU 137 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3krs h GLU 137 CO -0.01 0.22 0.00 0.25 -1.00 0.00 0.00 179.01 178.46 3krs n THR 138 N -3.64 0.54 -0.83 1.13 -2.24 -0.64 -4.94 114.28 103.67 3krs n THR 138 Ca -0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3krs n THR 138 Cb 0.34 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3krs n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krs n GLY 139 N 1.23 0.54 1.29 3.38 0.00 -0.84 -4.96 105.19 105.83 3krs n GLY 139 Ca 0.16 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3krs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krs n LYS 140 N -2.83 2.67 -0.08 1.61 4.76 0.01 -4.58 118.16 119.71 3krs n LYS 140 Ca 0.00 -2.50 -0.07 0.00 -2.87 0.00 0.00 58.31 52.87 3krs n LYS 140 Cb 0.00 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 3krs n LYS 140 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3krs h THR 141 N 4.02 0.39 -0.26 -0.18 2.02 -1.84 0.29 112.91 117.34 3krs h THR 141 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3krs h THR 141 Cb 0.96 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3krs h THR 141 CO 0.02 0.00 -0.10 0.78 0.37 0.00 0.00 175.52 176.58 3krs h ASN 142 N -0.20 0.55 -0.67 4.18 2.35 -1.95 -0.93 115.58 118.90 3krs h ASN 142 Ca 0.16 -0.39 0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3krs h ASN 142 Cb 0.45 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 38.59 3krs h ASN 142 CO -0.44 0.82 0.27 0.44 -1.65 0.00 0.00 177.43 176.87 3krs h ASP 143 N 0.28 0.28 -0.20 5.81 5.19 -1.81 0.12 116.42 126.09 3krs h ASP 143 Ca 0.06 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 3krs h ASP 143 Cb 0.60 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3krs h ASP 143 CO 0.03 0.15 -0.05 0.58 -3.12 0.00 0.00 179.24 176.83 3krs h VAL 144 N 0.45 1.28 -0.56 -1.35 2.07 -0.73 -1.41 116.25 116.01 3krs h VAL 144 Ca 0.35 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3krs h VAL 144 Cb 0.45 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3krs h VAL 144 CO -0.33 0.31 0.37 0.40 0.02 0.00 0.00 177.57 178.34 3krs h ILE 145 N 0.11 1.15 -0.32 4.57 2.04 -0.97 -0.43 117.51 123.66 3krs h ILE 145 Ca 0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3krs h ILE 145 Cb 0.49 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3krs h ILE 145 CO 0.02 0.14 0.20 1.56 0.00 0.00 0.00 178.15 180.07 3krs h GLN 146 N 0.76 0.43 -0.20 2.37 4.20 -0.88 -1.01 115.11 120.79 3krs h GLN 146 Ca 0.21 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3krs h GLN 146 Cb -0.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3krs h GLN 146 CO -0.04 0.32 0.11 -0.22 -0.67 0.00 0.00 178.83 178.32 3krs h LYS 147 N 0.42 0.22 -0.74 1.46 3.64 -1.01 -0.08 116.57 120.48 3krs h LYS 147 Ca 0.12 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3krs h LYS 147 Cb -0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3krs h LYS 147 CO -0.02 0.14 0.28 1.96 -2.27 0.00 0.00 179.45 179.54 3krs h GLN 148 N 0.22 1.12 -0.27 1.90 4.20 -0.83 -0.99 115.11 120.45 3krs h GLN 148 Ca 0.08 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 3krs h GLN 148 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3krs h GLN 148 CO -0.05 0.92 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.81 3krs h LEU 149 N 1.07 0.61 -0.50 1.46 3.38 -1.10 -0.06 115.31 120.16 3krs h LEU 149 Ca 0.24 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3krs h LEU 149 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3krs h LEU 149 CO -0.02 0.90 0.33 0.74 0.09 0.00 0.00 178.44 180.48 3krs h THR 150 N 0.32 1.14 -0.01 0.22 2.02 -0.74 -1.39 112.91 114.47 3krs h THR 150 Ca 0.06 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 3krs h THR 150 Cb 0.68 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3krs h THR 150 CO 0.04 0.13 -0.61 -0.33 0.37 0.00 0.00 175.52 175.13 3krs h GLU 151 N 0.68 0.43 -0.16 6.66 4.39 -1.21 -2.92 114.58 122.45 3krs h GLU 151 Ca 0.18 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 3krs h GLU 151 Cb -0.06 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3krs h GLU 151 CO -0.04 1.11 -0.26 0.00 -1.16 0.00 0.00 179.01 178.66 3krs h ALA 152 N 0.34 1.26 -0.56 3.43 0.00 -0.91 -2.99 119.26 119.82 3krs h ALA 152 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3krs h ALA 152 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3krs h ALA 152 CO 0.12 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3krs n LEU 153 N -4.14 4.84 -4.68 0.00 4.77 -0.53 -4.26 117.00 113.00 3krs n LEU 153 Ca -0.01 -2.63 -0.42 0.00 -0.03 0.00 0.00 56.01 52.92 3krs n LEU 153 Cb 0.38 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3krs n LEU 153 CO 0.40 0.74 1.48 -0.75 -1.33 0.00 0.00 177.39 177.94 3krs s LYS 154 N -2.19 4.15 -1.73 3.23 2.20 -1.10 -1.56 119.74 122.75 3krs s LYS 154 Ca 0.50 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 3krs s LYS 154 Cb 0.34 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3krs s LYS 154 CO 0.20 -0.86 0.00 -0.25 -0.36 0.00 0.00 175.35 174.07 3krs n ASP 155 N 6.46 -5.10 -4.39 1.43 8.00 -1.26 -4.98 116.55 116.72 3krs n ASP 155 Ca 0.18 0.29 -0.45 0.00 0.71 0.00 0.00 54.79 55.52 3krs n ASP 155 Cb 0.40 -4.15 -0.07 0.00 -0.02 0.00 0.00 41.12 37.28 3krs n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3krs s VAL 156 N -2.72 5.16 -0.01 2.53 1.01 -0.60 -4.95 120.40 120.82 3krs s VAL 156 Ca 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.04 3krs s VAL 156 Cb 0.00 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.96 3krs s VAL 156 CO 0.00 -0.67 0.79 0.77 0.00 0.00 0.00 175.10 175.98 3krs h SER 157 N 8.83 0.03 -3.35 3.32 4.64 -1.94 -3.45 113.55 121.63 3krs h SER 157 Ca -0.29 -0.06 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 3krs h SER 157 Cb 1.11 -0.01 -0.36 0.00 -0.31 0.00 0.00 62.40 62.83 3krs h SER 157 CO 0.92 1.05 -0.84 -0.62 -0.87 0.00 0.00 176.83 176.47 3krs s ASP 158 N -6.28 3.56 -0.04 4.97 -1.08 -1.26 -5.00 116.67 111.54 3krs s ASP 158 Ca -0.04 -0.90 0.20 0.00 -0.52 0.00 0.00 52.55 51.29 3krs s ASP 158 Cb 0.08 -1.48 0.64 0.00 -1.46 0.00 0.00 42.92 40.71 3krs s ASP 158 CO 0.82 -0.07 1.55 0.18 0.52 0.00 0.00 175.17 178.17 3krs n LEU 159 N 4.57 4.13 -0.05 -1.34 4.77 -1.26 -4.59 117.00 123.23 3krs n LEU 159 Ca -0.18 -2.15 0.08 0.00 -0.03 0.00 0.00 56.01 53.73 3krs n LEU 159 Cb 0.47 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.51 3krs n LEU 159 CO 0.24 0.92 1.18 0.77 -1.33 0.00 0.00 177.39 179.16 3krs h SER 160 N 4.04 0.45 -0.57 -1.43 4.64 -1.98 -2.01 113.55 116.69 3krs h SER 160 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3krs h SER 160 Cb 1.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3krs h SER 160 CO 0.07 0.30 0.00 -3.20 -0.87 0.00 0.00 176.83 173.13 3krs n ASN 161 N -4.47 4.58 -4.89 4.97 4.05 -1.26 -4.96 115.26 113.27 3krs n ASN 161 Ca 0.07 -2.50 -0.32 0.00 0.45 0.00 0.00 54.58 52.27 3krs n ASN 161 Cb 0.21 -0.55 -0.05 0.00 1.23 0.00 0.00 39.78 40.62 3krs n ASN 161 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3krs s LEU 162 N -1.94 4.30 0.01 1.20 2.96 -0.76 -0.74 118.68 123.71 3krs s LEU 162 Ca 0.48 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3krs s LEU 162 Cb 0.32 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 3krs s LEU 162 CO 0.22 0.23 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.70 3krs s VAL 163 N -1.37 0.67 -0.14 1.68 1.01 0.08 -4.60 120.40 117.73 3krs s VAL 163 Ca 0.29 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3krs s VAL 163 Cb -0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3krs s VAL 163 CO 0.21 0.04 -0.04 -0.63 0.00 0.00 0.00 175.10 174.68 3krs s ILE 164 N -0.51 3.92 -0.18 2.22 1.01 -0.64 -0.66 121.20 126.36 3krs s ILE 164 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3krs s ILE 164 Cb -0.05 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3krs s ILE 164 CO 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 174.94 175.43 3krs s ALA 165 N 0.09 2.95 -0.29 9.38 0.00 0.49 -0.34 121.76 134.04 3krs s ALA 165 Ca -0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 3krs s ALA 165 Cb -0.13 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 3krs s ALA 165 CO 0.03 -0.04 0.54 -0.47 0.00 0.00 0.00 175.76 175.82 3krs s TYR 166 N 0.81 3.24 -0.34 0.00 5.04 -0.32 -1.71 117.35 124.06 3krs s TYR 166 Ca -0.01 0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 3krs s TYR 166 Cb -0.14 -2.81 0.03 0.00 0.35 0.00 0.00 41.96 39.38 3krs s TYR 166 CO 0.02 -0.37 0.13 -1.21 -1.34 0.00 0.00 175.55 172.78 3krs s GLU 167 N 2.39 2.79 -1.25 4.97 2.02 0.25 0.39 118.70 130.26 3krs s GLU 167 Ca 0.22 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 53.94 3krs s GLU 167 Cb -0.15 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.55 3krs s GLU 167 CO 0.10 -0.63 1.85 -0.35 0.02 0.00 0.00 175.26 176.26 3krs n PRO 168 N 4.89 2.58 -0.24 0.39 -0.04 -1.26 -3.86 135.00 137.45 3krs n PRO 168 Ca -0.13 -2.89 0.07 0.00 -0.04 0.00 0.00 63.50 60.52 3krs n PRO 168 Cb 0.46 -3.52 0.32 0.00 -0.04 0.00 0.00 33.50 30.72 3krs n PRO 168 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3krs h ILE 169 N 5.55 0.99 -0.05 0.52 2.04 -1.86 0.11 117.51 124.82 3krs h ILE 169 Ca 0.39 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3krs h ILE 169 Cb 0.86 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3krs h ILE 169 CO 1.45 0.15 0.29 4.11 0.00 0.00 0.00 178.15 184.16 3krs h TRP 170 N 0.83 0.00 -0.17 1.37 5.08 -1.66 -1.81 115.95 119.58 3krs h TRP 170 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 3krs h TRP 170 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 3krs h TRP 170 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3krs n ALA 171 N -1.98 2.57 -3.99 0.11 0.00 0.39 -4.56 120.51 113.05 3krs n ALA 171 Ca -0.01 -2.10 -0.31 0.00 0.00 0.00 0.00 53.44 51.02 3krs n ALA 171 Cb 0.36 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.15 3krs n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3krs s ILE 172 N -2.39 1.86 0.00 0.00 1.01 -0.68 -4.69 121.20 116.30 3krs s ILE 172 Ca 0.32 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.40 3krs s ILE 172 Cb 0.26 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3krs s ILE 172 CO 0.07 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3krs n GLY 173 N 4.52 0.53 0.08 6.18 0.00 -1.26 -4.88 105.19 110.36 3krs n GLY 173 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3krs n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3krs n THR 174 N -2.90 0.00 -0.33 2.61 -2.24 -1.26 -4.97 114.28 105.20 3krs n THR 174 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3krs n THR 174 Cb 0.01 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3krs n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krs n GLY 175 N 1.30 2.04 3.86 3.38 0.00 -1.26 -5.03 105.19 109.48 3krs n GLY 175 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3krs n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krs s VAL 176 N -3.21 5.12 -0.07 1.61 1.01 -1.26 -5.09 120.40 118.51 3krs s VAL 176 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.56 3krs s VAL 176 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3krs s VAL 176 CO 0.00 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 3krs s VAL 177 N -1.25 1.70 -0.06 2.92 1.01 -1.26 -4.37 120.40 119.08 3krs s VAL 177 Ca 0.28 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3krs s VAL 177 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3krs s VAL 177 CO 0.15 0.48 0.62 0.00 0.00 0.00 0.00 175.10 176.35 3krs s ALA 178 N 0.24 3.41 0.51 5.51 0.00 -1.26 -5.04 121.76 125.13 3krs s ALA 178 Ca -0.11 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 3krs s ALA 178 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3krs s ALA 178 CO 0.05 0.00 0.86 0.95 0.00 0.00 0.00 175.76 177.63 3krs s THR 179 N 0.45 4.82 0.41 0.00 -4.23 -1.26 -4.95 115.64 110.88 3krs s THR 179 Ca 0.33 0.49 0.09 0.00 -1.18 0.00 0.00 61.69 61.42 3krs s THR 179 Cb -0.17 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.11 3krs s THR 179 CO 0.16 -0.89 2.02 -0.65 -0.54 0.00 0.00 174.62 174.72 3krs h PRO 180 N 0.22 0.53 -0.71 3.99 0.11 -1.98 -1.62 132.00 132.54 3krs h PRO 180 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3krs h PRO 180 Cb 1.20 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3krs h PRO 180 CO 0.62 0.35 0.46 0.78 -0.21 0.00 0.00 178.00 180.01 3krs h GLY 181 N 0.55 1.01 1.15 -0.55 0.00 -1.98 0.62 103.07 103.86 3krs h GLY 181 Ca 0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3krs h GLY 181 CO -0.06 0.38 0.17 1.46 0.00 0.00 0.00 176.54 178.49 3krs h GLN 182 N 0.97 1.06 -0.07 4.80 4.20 -1.80 -0.53 115.11 123.74 3krs h GLN 182 Ca 0.26 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3krs h GLN 182 Cb -0.09 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 3krs h GLN 182 CO -0.05 0.93 0.02 0.00 -0.67 0.00 0.00 178.83 179.06 3krs h ALA 183 N 1.17 0.09 -0.54 3.87 0.00 -0.87 -2.10 119.26 120.88 3krs h ALA 183 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3krs h ALA 183 Cb 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3krs h ALA 183 CO -0.00 -0.30 0.16 0.37 0.00 0.00 0.00 179.25 179.48 3krs h GLN 184 N -0.07 0.32 -0.63 0.00 5.75 -0.81 -0.25 115.11 119.40 3krs h GLN 184 Ca 0.02 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3krs h GLN 184 Cb 0.21 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3krs h GLN 184 CO -0.00 0.21 0.41 1.49 -2.65 0.00 0.00 178.83 178.29 3krs h GLU 185 N 0.33 0.79 -0.40 1.69 4.81 -0.93 0.61 114.58 121.49 3krs h GLU 185 Ca 0.27 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3krs h GLU 185 Cb 0.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3krs h GLU 185 CO -0.30 0.52 0.12 0.00 -0.73 0.00 0.00 179.01 178.62 3krs h ALA 186 N 1.25 0.52 -0.60 2.92 0.00 -0.94 -1.82 119.26 120.60 3krs h ALA 186 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3krs h ALA 186 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3krs h ALA 186 CO -0.08 0.18 0.34 0.45 0.00 0.00 0.00 179.25 180.15 3krs h HIS 187 N 0.50 0.80 -0.79 0.00 3.86 -0.77 -1.05 115.15 117.70 3krs h HIS 187 Ca 0.13 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3krs h HIS 187 Cb 0.27 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3krs h HIS 187 CO 0.01 0.56 0.46 0.00 0.86 0.00 0.00 177.93 179.82 3krs h ALA 188 N 1.17 1.01 -0.52 2.45 0.00 -0.79 -1.34 119.26 121.24 3krs h ALA 188 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3krs h ALA 188 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3krs h ALA 188 CO -0.04 0.50 0.18 0.35 0.00 0.00 0.00 179.25 180.24 3krs h PHE 189 N 1.09 0.82 -0.17 0.00 3.57 -0.94 -0.66 116.94 120.64 3krs h PHE 189 Ca 0.28 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3krs h PHE 189 Cb -0.01 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3krs h PHE 189 CO -0.00 0.70 -0.03 0.82 -2.23 0.00 0.00 178.31 177.56 3krs h ILE 190 N 0.70 0.85 -0.77 1.41 2.04 -0.87 -0.27 117.51 120.60 3krs h ILE 190 Ca 0.17 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 3krs h ILE 190 Cb 0.25 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3krs h ILE 190 CO -0.01 0.00 0.47 -0.09 0.00 0.00 0.00 178.15 178.52 3krs h ARG 191 N 0.01 1.05 -0.93 2.37 2.43 -1.07 -0.54 114.38 117.70 3krs h ARG 191 Ca 0.08 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3krs h ARG 191 Cb 0.11 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3krs h ARG 191 CO -0.16 0.73 0.62 0.93 -1.51 0.00 0.00 179.97 180.58 3krs h GLU 192 N 1.06 1.22 -0.24 0.20 5.08 -0.76 -0.75 114.58 120.39 3krs h GLU 192 Ca 0.28 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 3krs h GLU 192 Cb -0.05 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 3krs h GLU 192 CO -0.05 0.81 -0.57 -0.92 -1.00 0.00 0.00 179.01 177.27 3krs h TYR 193 N 1.26 0.97 -0.98 4.33 3.20 -0.40 -2.66 116.97 122.68 3krs h TYR 193 Ca 0.34 -0.35 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3krs h TYR 193 Cb -0.13 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 37.89 3krs h TYR 193 CO -0.01 1.15 0.63 0.28 -1.64 0.00 0.00 178.16 178.58 3krs h VAL 194 N 0.58 1.01 -0.46 1.81 2.07 -0.84 -0.42 116.25 120.00 3krs h VAL 194 Ca 0.01 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3krs h VAL 194 Cb 1.17 -0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3krs h VAL 194 CO 0.12 0.19 0.14 0.74 0.02 0.00 0.00 177.57 178.78 3krs h THR 195 N 1.06 0.81 -0.64 2.57 2.02 -0.92 0.22 112.91 118.04 3krs h THR 195 Ca 0.45 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.45 3krs h THR 195 Cb 0.31 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3krs h THR 195 CO -0.20 0.05 0.08 0.03 0.37 0.00 0.00 175.52 175.85 3krs h ARG 196 N 0.29 1.08 -0.05 6.66 3.08 -0.98 -2.21 114.38 122.26 3krs h ARG 196 Ca 0.22 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3krs h ARG 196 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3krs h ARG 196 CO -0.25 1.01 -0.66 0.52 -1.07 0.00 0.00 179.97 179.53 3krs h MET 197 N 0.99 0.21 0.00 0.04 2.86 -0.74 -3.44 114.93 114.85 3krs h MET 197 Ca 0.19 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3krs h MET 197 Cb 0.48 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3krs h MET 197 CO 0.02 0.79 0.00 0.66 1.06 0.00 0.00 176.91 179.44 3krs n TYR 198 N -3.82 0.00 -3.74 -0.22 4.01 0.75 -5.09 117.16 109.05 3krs n TYR 198 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 3krs n TYR 198 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 3krs n TYR 198 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3krs s ASN 199 N 1.00 -0.21 0.46 7.72 6.03 -0.84 -4.92 114.94 124.19 3krs s ASN 199 Ca 0.00 -0.39 0.21 0.00 -1.03 0.00 0.00 52.86 51.66 3krs s ASN 199 Cb 0.00 0.51 1.15 0.00 -3.03 0.00 0.00 41.25 39.88 3krs s ASN 199 CO 0.00 -0.93 1.97 -0.65 -2.03 0.00 0.00 177.10 175.46 3krs h PRO 200 N 2.00 0.00 0.14 3.55 0.11 -1.91 -1.73 132.00 134.16 3krs h PRO 200 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3krs h PRO 200 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3krs h PRO 200 CO 0.26 0.20 -0.06 0.37 -0.21 0.00 0.00 178.00 178.56 3krs h GLN 201 N 0.00 -0.17 -0.15 1.05 4.15 -1.96 -1.24 115.11 116.77 3krs h GLN 201 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3krs h GLN 201 Cb 0.46 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3krs h GLN 201 CO 0.03 -0.03 0.07 0.28 -1.93 0.00 0.00 178.83 177.25 3krs h VAL 202 N -0.28 1.12 -0.32 2.39 2.07 -1.90 -2.55 116.25 116.77 3krs h VAL 202 Ca -0.02 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3krs h VAL 202 Cb 0.23 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3krs h VAL 202 CO 0.03 0.11 -0.05 0.77 0.02 0.00 0.00 177.57 178.45 3krs h SER 203 N 0.12 0.50 0.86 0.57 4.64 -1.33 -2.14 113.55 116.77 3krs h SER 203 Ca 0.05 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3krs h SER 203 Cb 0.11 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3krs h SER 203 CO -0.01 0.60 -0.01 0.77 -0.87 0.00 0.00 176.83 177.32 3krs h SER 204 N 0.49 0.00 0.11 4.97 4.64 -0.95 -2.85 113.55 119.96 3krs h SER 204 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3krs h SER 204 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3krs h SER 204 CO 0.02 0.01 -0.92 0.59 -0.87 0.00 0.00 176.83 175.66 3krs n ASN 205 N -3.11 0.88 -4.67 4.97 3.02 -0.84 -4.75 115.26 110.76 3krs n ASN 205 Ca 0.00 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 3krs n ASN 205 Cb 0.27 0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 40.27 3krs n ASN 205 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3krs s LEU 206 N -3.05 4.17 0.05 3.41 2.96 -0.99 -4.96 118.68 120.27 3krs s LEU 206 Ca 0.08 1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 54.88 3krs s LEU 206 Cb 0.16 -3.26 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 3krs s LEU 206 CO 0.84 -0.42 1.13 -0.13 -1.32 0.00 0.00 176.35 176.45 3krs s ARG 207 N 2.21 4.47 -0.24 1.98 3.00 -1.26 -5.00 118.95 124.10 3krs s ARG 207 Ca 0.39 1.67 0.03 0.00 0.00 0.00 0.00 55.73 57.81 3krs s ARG 207 Cb -0.17 -3.38 0.05 0.00 0.00 0.00 0.00 34.95 31.46 3krs s ARG 207 CO 0.12 -0.19 -0.13 0.42 0.00 0.00 0.00 175.30 175.53 3krs s ILE 208 N 1.01 2.13 0.01 1.52 1.01 -1.26 -1.63 121.20 124.00 3krs s ILE 208 Ca 0.57 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3krs s ILE 208 Cb -0.27 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3krs s ILE 208 CO 0.29 0.09 0.06 0.27 0.00 0.00 0.00 174.94 175.64 3krs s ILE 209 N 1.15 4.53 -0.19 2.92 -4.36 0.53 -1.23 121.20 124.54 3krs s ILE 209 Ca -0.06 -0.51 -0.21 0.00 -0.26 0.00 0.00 60.65 59.61 3krs s ILE 209 Cb -0.19 -3.07 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 3krs s ILE 209 CO -0.07 0.33 0.63 -0.47 0.24 0.00 0.00 174.94 175.60 3krs s TYR 210 N -1.18 3.38 -0.20 1.37 5.04 -0.35 -1.18 117.35 124.23 3krs s TYR 210 Ca 0.23 0.93 0.15 0.00 -2.44 0.00 0.00 57.07 55.94 3krs s TYR 210 Cb -0.12 -2.79 0.53 0.00 0.35 0.00 0.00 41.96 39.93 3krs s TYR 210 CO 0.14 -0.16 1.44 0.41 -1.34 0.00 0.00 175.55 176.04 3krs n GLY 211 N 3.77 4.16 0.00 8.97 0.00 0.16 -1.27 105.19 120.97 3krs n GLY 211 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3krs n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krs n GLY 212 N -0.60 -0.54 3.64 -0.02 0.00 -1.25 -4.60 105.19 101.83 3krs n GLY 212 Ca 0.24 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 3krs n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krs s SER 213 N -1.00 6.47 -0.09 1.61 0.01 -1.26 -4.72 113.70 114.71 3krs s SER 213 Ca 0.00 1.86 0.01 0.00 1.31 0.00 0.00 55.95 59.14 3krs s SER 213 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.71 3krs s SER 213 CO 0.00 -1.15 -0.12 -0.69 0.41 0.00 0.00 173.24 171.69 3krs s VAL 214 N 4.84 1.21 0.31 3.43 1.01 -1.26 -5.01 120.40 124.93 3krs s VAL 214 Ca 0.73 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3krs s VAL 214 Cb -0.28 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3krs s VAL 214 CO 0.29 0.38 0.14 0.42 0.00 0.00 0.00 175.10 176.33 3krs s THR 215 N 1.02 0.45 0.36 3.92 -4.23 -1.26 -4.57 115.64 111.33 3krs s THR 215 Ca -0.07 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.78 3krs s THR 215 Cb -0.15 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.50 3krs s THR 215 CO -0.01 0.00 2.05 -0.65 -0.54 0.00 0.00 174.62 175.47 3krs h PRO 216 N 2.19 0.00 0.00 3.99 0.11 -1.95 -2.51 132.00 133.83 3krs h PRO 216 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3krs h PRO 216 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3krs h PRO 216 CO 0.55 0.00 -0.67 0.22 -0.21 0.00 0.00 178.00 177.89 3krs h ASP 217 N 0.00 0.00 0.00 -2.05 3.58 -1.99 -3.38 116.42 112.58 3krs h ASP 217 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3krs h ASP 217 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3krs h ASP 217 CO 0.00 0.45 0.00 -0.46 -2.88 0.00 0.00 179.24 176.35 3krs n ASN 218 N -3.12 0.67 -0.08 2.28 6.94 -0.98 -4.77 115.26 116.20 3krs n ASN 218 Ca -0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 54.58 53.65 3krs n ASN 218 Cb 0.73 0.29 0.13 0.00 -2.36 0.00 0.00 39.78 38.57 3krs n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3krs h ASN 220 N 0.65 0.91 -0.28 0.00 4.21 -1.86 -1.57 115.58 117.64 3krs h ASN 220 Ca 0.10 -0.26 -0.05 0.00 1.21 0.00 0.00 56.30 57.31 3krs h ASN 220 Cb 0.63 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 3krs h ASN 220 CO 0.04 0.99 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.06 3krs h GLU 221 N 0.84 0.51 -0.62 0.81 4.81 -1.86 -3.24 114.58 115.85 3krs h GLU 221 Ca 0.15 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3krs h GLU 221 Cb 0.55 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3krs h GLU 221 CO 0.03 0.69 0.26 -0.07 -0.73 0.00 0.00 179.01 179.19 3krs h LEU 222 N 0.28 0.84 -1.42 1.64 3.38 -1.22 -3.11 115.31 115.71 3krs h LEU 222 Ca 0.08 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3krs h LEU 222 Cb 0.48 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3krs h LEU 222 CO 0.02 0.77 -0.26 -0.29 0.09 0.00 0.00 178.44 178.77 3krs h ILE 223 N 0.86 0.88 0.00 1.22 6.09 -1.35 -1.95 117.51 123.26 3krs h ILE 223 Ca 0.21 -1.03 -0.02 0.00 -1.37 0.00 0.00 64.86 62.65 3krs h ILE 223 Cb 0.19 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 39.08 3krs h ILE 223 CO -0.02 0.26 -0.11 0.11 -3.07 0.00 0.00 178.15 175.32 3krs h LYS 224 N 0.00 0.00 -6.65 2.19 1.57 -1.56 -3.45 116.57 108.67 3krs h LYS 224 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3krs h LYS 224 Cb 0.59 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.99 3krs h LYS 224 CO 0.03 0.11 0.55 0.00 -0.57 0.00 0.00 179.45 179.57 3krs h ALA 226 N 3.42 1.58 -0.44 0.00 0.00 -1.89 -2.51 119.26 119.43 3krs h ALA 226 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3krs h ALA 226 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3krs h ALA 226 CO 0.70 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 180.01 3krs n ASP 227 N -4.37 3.21 -4.53 0.00 9.92 -1.26 -4.90 116.55 114.61 3krs n ASP 227 Ca 0.01 -1.95 -0.40 0.00 -0.53 0.00 0.00 54.79 51.92 3krs n ASP 227 Cb 0.17 -0.29 -0.11 0.00 -0.64 0.00 0.00 41.12 40.26 3krs n ASP 227 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3krs s ILE 228 N -1.05 5.24 -0.21 0.53 1.01 -0.95 -4.63 121.20 121.15 3krs s ILE 228 Ca 0.32 -0.17 0.15 0.00 0.00 0.00 0.00 60.65 60.94 3krs s ILE 228 Cb 0.17 -3.66 0.51 0.00 0.01 0.00 0.00 42.46 39.48 3krs s ILE 228 CO 0.23 0.04 1.42 0.47 0.00 0.00 0.00 174.94 177.09 3krs n ASP 229 N 5.09 3.40 0.00 3.58 8.00 -0.37 -4.72 116.55 131.54 3krs n ASP 229 Ca -0.13 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.15 3krs n ASP 229 Cb 0.50 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3krs n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krs n GLY 230 N -0.75 0.78 3.12 0.44 0.00 -1.26 -1.22 105.19 106.30 3krs n GLY 230 Ca 0.24 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3krs n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krs s PHE 231 N -2.22 -0.03 -0.39 1.61 0.08 -0.40 -1.22 117.98 115.43 3krs s PHE 231 Ca 0.00 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.07 3krs s PHE 231 Cb 0.00 -0.01 0.11 0.00 -0.57 0.00 0.00 43.02 42.55 3krs s PHE 231 CO 0.00 -0.28 0.14 -1.17 -0.10 0.00 0.00 175.22 173.81 3krs s LEU 232 N -1.20 4.97 0.02 -0.37 2.96 -0.40 -0.55 118.68 124.11 3krs s LEU 232 Ca -0.13 -2.17 -0.22 0.00 -0.22 0.00 0.00 54.13 51.39 3krs s LEU 232 Cb -0.06 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3krs s LEU 232 CO 0.02 -0.44 0.64 -0.69 -1.32 0.00 0.00 176.35 174.56 3krs s VAL 233 N 0.91 4.84 0.00 1.68 1.01 0.47 -4.36 120.40 124.96 3krs s VAL 233 Ca 0.10 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3krs s VAL 233 Cb -0.21 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3krs s VAL 233 CO -0.06 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3krs n GLY 234 N 2.38 1.24 0.29 4.51 0.00 -1.26 -0.36 105.19 111.99 3krs n GLY 234 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3krs n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3krs h GLY 235 N 0.00 0.09 2.00 -0.02 0.00 -1.91 -0.38 103.07 102.85 3krs h GLY 235 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3krs h GLY 235 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3krs h ALA 236 N 1.91 1.00 0.00 3.60 0.00 -1.89 -1.81 119.26 122.08 3krs h ALA 236 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krs h ALA 236 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3krs h ALA 236 CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 3krs n SER 237 N -3.08 0.00 -1.24 0.00 3.41 -0.15 -2.94 113.62 109.62 3krs n SER 237 Ca -0.02 0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 3krs n SER 237 Cb 0.16 -0.39 0.29 0.00 -0.26 0.00 0.00 64.21 64.00 3krs n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3krs n LEU 238 N -1.39 3.60 -4.35 1.04 4.77 -0.68 -4.88 117.00 115.10 3krs n LEU 238 Ca 0.09 -1.81 -0.27 0.00 -0.03 0.00 0.00 56.01 54.00 3krs n LEU 238 Cb 0.25 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3krs n LEU 238 CO 0.22 0.81 -0.54 -0.54 -1.33 0.00 0.00 177.39 176.00 3krs s LYS 239 N -1.34 1.31 0.51 3.23 1.02 -1.15 -5.00 119.74 118.32 3krs s LYS 239 Ca 0.43 -1.30 0.26 0.00 0.02 0.00 0.00 55.97 55.38 3krs s LYS 239 Cb 0.24 -1.69 1.37 0.00 -0.52 0.00 0.00 37.83 37.23 3krs s LYS 239 CO 0.27 0.39 1.94 -1.35 -0.92 0.00 0.00 175.35 175.67 3krs h PRO 240 N 3.85 0.07 0.00 -1.68 0.11 -1.91 -1.21 132.00 131.23 3krs h PRO 240 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3krs h PRO 240 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3krs h PRO 240 CO 0.41 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.49 3krs n THR 241 N -4.36 0.23 -0.32 -1.15 -2.24 -1.26 -1.35 114.28 103.84 3krs n THR 241 Ca 0.14 0.06 0.30 0.00 -2.27 0.00 0.00 64.05 62.28 3krs n THR 241 Cb 0.75 -0.76 0.65 0.00 -2.10 0.00 0.00 70.33 68.86 3krs n THR 241 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3krs h PHE 242 N 0.00 0.29 -0.87 4.78 3.57 -1.26 0.19 116.94 123.64 3krs h PHE 242 Ca 0.00 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.65 3krs h PHE 242 Cb 0.09 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 3krs h PHE 242 CO 0.00 0.02 0.56 0.00 -2.23 0.00 0.00 178.31 176.66 3krs h ALA 243 N 1.51 1.88 -0.28 2.41 0.00 -1.45 -1.37 119.26 121.95 3krs h ALA 243 Ca 0.58 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.40 3krs h ALA 243 Cb 1.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3krs h ALA 243 CO -0.14 -0.11 -0.26 0.87 0.00 0.00 0.00 179.25 179.61 3krs h LYS 244 N 0.65 0.56 -0.36 0.00 1.57 -1.19 -0.80 116.57 117.00 3krs h LYS 244 Ca 0.43 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 3krs h LYS 244 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3krs h LYS 244 CO -0.19 0.77 -0.10 0.82 -0.57 0.00 0.00 179.45 180.17 3krs h ILE 245 N 0.49 1.28 -0.71 1.86 2.04 -1.29 -1.48 117.51 119.71 3krs h ILE 245 Ca 0.07 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.81 3krs h ILE 245 Cb 0.70 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3krs h ILE 245 CO 0.05 0.39 0.39 0.40 0.00 0.00 0.00 178.15 179.39 3krs h ILE 246 N 0.49 0.95 -0.14 -0.67 2.04 -1.06 -2.39 117.51 116.74 3krs h ILE 246 Ca 0.09 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3krs h ILE 246 Cb 0.62 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3krs h ILE 246 CO 0.04 0.13 -0.10 -0.33 0.00 0.00 0.00 178.15 177.89 3krs h GLU 247 N 0.71 0.21 0.00 2.37 5.08 -0.74 -1.65 114.58 120.56 3krs h GLU 247 Ca 0.32 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3krs h GLU 247 Cb 0.23 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3krs h GLU 247 CO -0.20 0.32 -0.01 0.66 -1.00 0.00 0.00 179.01 178.78 3krs h SER 248 N 0.20 0.00 -0.51 1.42 4.64 -0.74 -2.71 113.55 115.85 3krs h SER 248 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3krs h SER 248 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3krs h SER 248 CO 0.02 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3krs n ALA 249 N -2.10 2.42 1.15 5.18 0.00 -0.62 -4.88 120.51 121.65 3krs n ALA 249 Ca -0.01 -0.96 0.09 0.00 0.00 0.00 0.00 53.44 52.56 3krs n ALA 249 Cb 0.19 -0.96 0.54 0.00 0.00 0.00 0.00 19.45 19.23 3krs n ALA 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54