#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck1 s SER 2 N 0.00 4.84 -0.23 -1.84 1.04 -1.26 -4.98 113.70 111.27 1ck1 s SER 2 Ca 0.00 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 1ck1 s SER 2 Cb 0.00 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 1ck1 s SER 2 CO 0.00 -1.49 0.22 -1.58 0.98 0.00 0.00 173.24 171.37 1ck1 s GLN 3 N -4.86 4.10 0.65 4.02 0.74 -0.96 -4.98 119.66 118.38 1ck1 s GLN 3 Ca 0.63 -0.15 -0.14 0.00 0.05 0.00 0.00 55.36 55.74 1ck1 s GLN 3 Cb -0.07 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1ck1 s GLN 3 CO 0.41 0.04 1.08 -1.25 -0.55 0.00 0.00 175.29 175.01 1ck1 s PRO 4 N 1.12 2.95 0.74 1.67 0.04 -1.26 -4.50 135.00 135.76 1ck1 s PRO 4 Ca 0.10 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.22 1ck1 s PRO 4 Cb -0.14 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1ck1 s PRO 4 CO 0.05 -1.11 1.04 -0.25 0.04 0.00 0.00 177.00 176.78 1ck1 n ASP 5 N -2.51 0.69 -4.77 6.66 9.92 -1.26 -4.96 116.55 120.33 1ck1 n ASP 5 Ca 0.09 0.65 -0.39 0.00 -0.53 0.00 0.00 54.79 54.61 1ck1 n ASP 5 Cb 0.53 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.54 1ck1 n ASP 5 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ck1 s PRO 6 N -3.55 4.24 0.52 -0.24 0.04 -1.26 -5.05 135.00 129.71 1ck1 s PRO 6 Ca 0.74 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 1ck1 s PRO 6 Cb -0.33 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1ck1 s PRO 6 CO 0.50 -0.16 0.84 -1.64 0.04 0.00 0.00 177.00 176.58 1ck1 s MET 7 N -2.04 3.40 0.26 4.56 -1.94 -1.26 -4.96 119.30 117.32 1ck1 s MET 7 Ca 0.53 0.21 -0.10 0.00 -1.71 0.00 0.00 55.69 54.62 1ck1 s MET 7 Cb -0.32 -2.32 0.39 0.00 2.01 0.00 0.00 34.83 34.59 1ck1 s MET 7 CO 0.41 -0.36 1.58 -1.35 -0.01 0.00 0.00 175.02 175.28 1ck1 h PRO 8 N 0.07 -0.00 -0.39 2.03 0.11 -1.99 -1.18 132.00 130.64 1ck1 h PRO 8 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ck1 h PRO 8 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ck1 h PRO 8 CO 0.61 -0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1ck1 n ASP 9 N -5.57 1.97 0.05 -2.05 5.68 -1.26 -3.68 116.55 111.70 1ck1 n ASP 9 Ca 0.13 -2.04 0.12 0.00 -0.50 0.00 0.00 54.79 52.50 1ck1 n ASP 9 Cb 0.45 -0.27 0.20 0.00 -1.14 0.00 0.00 41.12 40.36 1ck1 n ASP 9 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ck1 n ASP 10 N 0.48 0.66 -4.90 -1.12 8.00 -0.45 -4.92 116.55 114.31 1ck1 n ASP 10 Ca 0.12 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 1ck1 n ASP 10 Cb 0.33 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1ck1 n ASP 10 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ck1 s LEU 11 N -4.03 4.37 0.08 0.64 1.43 -1.24 -4.98 118.68 114.95 1ck1 s LEU 11 Ca 0.07 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 1ck1 s LEU 11 Cb 0.14 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 1ck1 s LEU 11 CO 0.71 0.27 1.13 -1.00 0.23 0.00 0.00 176.35 177.69 1ck1 s HIS 12 N -1.29 3.53 -0.19 0.29 3.76 -1.26 -5.03 115.29 115.09 1ck1 s HIS 12 Ca 0.26 1.46 -0.13 0.00 -0.15 0.00 0.00 55.06 56.51 1ck1 s HIS 12 Cb -0.13 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 1ck1 s HIS 12 CO 0.16 -0.83 0.24 0.15 -0.85 0.00 0.00 174.74 173.62 1ck1 s LYS 13 N 0.70 4.19 0.55 1.40 1.02 -1.26 -4.49 119.74 121.85 1ck1 s LYS 13 Ca 0.55 -0.04 0.30 0.00 0.02 0.00 0.00 55.97 56.80 1ck1 s LYS 13 Cb -0.28 -3.47 1.59 0.00 -0.52 0.00 0.00 37.83 35.16 1ck1 s LYS 13 CO 0.30 0.17 2.12 0.66 -0.92 0.00 0.00 175.35 177.68 1ck1 h SER 14 N 6.96 0.00 1.10 2.83 4.64 -1.24 -2.25 113.55 125.60 1ck1 h SER 14 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1ck1 h SER 14 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ck1 h SER 14 CO 0.73 0.08 0.00 0.77 -0.87 0.00 0.00 176.83 177.54 1ck1 h SER 15 N 0.00 0.00 -0.12 4.97 4.64 -1.89 -2.62 113.55 118.53 1ck1 h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ck1 h SER 15 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ck1 h SER 15 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1ck1 n GLU 16 N -2.77 1.99 -3.61 4.77 1.02 -0.84 -4.72 120.64 116.48 1ck1 n GLU 16 Ca 0.02 -1.46 -0.40 0.00 -0.02 0.00 0.00 57.16 55.29 1ck1 n GLU 16 Cb 0.32 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 1ck1 n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ck1 s PHE 17 N -1.86 3.28 -0.73 -0.32 5.36 -0.99 -1.88 117.98 120.84 1ck1 s PHE 17 Ca 0.34 -1.24 0.13 0.00 -0.96 0.00 0.00 56.93 55.20 1ck1 s PHE 17 Cb 0.20 -2.66 0.65 0.00 -0.34 0.00 0.00 43.02 40.87 1ck1 s PHE 17 CO 0.30 -0.74 1.51 0.25 -1.46 0.00 0.00 175.22 175.08 1ck1 n THR 18 N 4.96 1.96 -2.61 0.12 -2.24 0.13 -4.92 114.28 111.68 1ck1 n THR 18 Ca -0.11 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1ck1 n THR 18 Cb 0.44 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1ck1 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ck1 n GLY 19 N 0.72 2.19 3.61 3.38 0.00 -1.21 -4.72 105.19 109.16 1ck1 n GLY 19 Ca 0.22 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1ck1 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ck1 s THR 20 N 1.35 4.74 -0.64 2.61 2.01 -1.26 -4.90 115.64 119.54 1ck1 s THR 20 Ca 0.00 1.17 0.20 0.00 0.31 0.00 0.00 61.69 63.38 1ck1 s THR 20 Cb 0.00 -4.20 0.20 0.00 0.01 0.00 0.00 72.50 68.51 1ck1 s THR 20 CO 0.00 -0.33 1.62 0.80 -0.69 0.00 0.00 174.62 176.02 1ck1 n MET 21 N 6.35 0.13 0.22 4.92 1.56 -0.75 -2.53 117.12 127.01 1ck1 n MET 21 Ca 0.05 0.38 0.15 0.00 -0.27 0.00 0.00 57.70 58.01 1ck1 n MET 21 Cb 0.48 -1.75 0.65 0.00 2.15 0.00 0.00 33.22 34.75 1ck1 n MET 21 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1ck1 h GLY 22 N 2.20 0.00 2.00 -5.12 0.00 -1.17 -2.00 103.07 98.98 1ck1 h GLY 22 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1ck1 h GLY 22 CO 0.00 0.00 -0.52 3.43 0.00 0.00 0.00 176.54 179.45 1ck1 h ASN 23 N 0.00 0.00 0.16 0.19 2.35 -1.80 -1.08 115.58 115.40 1ck1 h ASN 23 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1ck1 h ASN 23 Cb 0.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ck1 h ASN 23 CO 0.00 0.52 -1.50 -0.03 -1.65 0.00 0.00 177.43 174.77 1ck1 h MET 24 N 0.00 0.33 -0.52 0.81 4.05 -1.62 -3.35 114.93 114.64 1ck1 h MET 24 Ca -0.01 -0.57 -0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1ck1 h MET 24 Cb 1.06 0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 1ck1 h MET 24 CO 0.07 1.27 0.31 -0.22 0.23 0.00 0.00 176.91 178.57 1ck1 h LYS 25 N -0.11 0.70 -0.73 0.39 3.64 -1.35 -2.70 116.57 116.41 1ck1 h LYS 25 Ca -0.30 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1ck1 h LYS 25 Cb 1.92 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.55 1ck1 h LYS 25 CO 0.13 0.49 0.48 -0.92 -2.27 0.00 0.00 179.45 177.36 1ck1 h TYR 26 N 0.71 0.87 0.00 1.91 3.20 -1.32 -1.84 116.97 120.49 1ck1 h TYR 26 Ca 0.19 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1ck1 h TYR 26 Cb -0.02 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 1ck1 h TYR 26 CO 0.00 0.52 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.93 1ck1 h LEU 27 N 0.91 0.00 0.00 2.82 3.38 -1.62 -3.36 115.31 117.44 1ck1 h LEU 27 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ck1 h LEU 27 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ck1 h LEU 27 CO -0.08 0.04 -0.33 -1.22 0.09 0.00 0.00 178.44 176.94 1ck1 n TYR 28 N -3.13 0.00 -2.96 1.13 4.01 -1.03 -4.71 117.16 110.47 1ck1 n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1ck1 n TYR 28 Cb 0.39 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 1ck1 n TYR 28 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ck1 s ASP 29 N -1.45 6.23 -1.41 7.72 2.15 -0.72 -3.77 116.67 125.42 1ck1 s ASP 29 Ca 0.00 -0.87 -0.10 0.00 0.43 0.00 0.00 52.55 52.01 1ck1 s ASP 29 Cb 0.02 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1ck1 s ASP 29 CO 0.09 -1.21 0.32 -0.67 -0.17 0.00 0.00 175.17 173.52 1ck1 n ASP 30 N 7.10 -1.01 -3.68 -0.34 2.03 -1.26 -4.94 116.55 114.44 1ck1 n ASP 30 Ca -0.04 -1.21 -0.24 0.00 0.52 0.00 0.00 54.79 53.82 1ck1 n ASP 30 Cb 0.45 -2.06 -0.17 0.00 -0.72 0.00 0.00 41.12 38.62 1ck1 n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1ck1 s HIS 31 N -4.02 0.38 -0.23 -0.67 2.46 -1.26 -5.13 115.29 106.82 1ck1 s HIS 31 Ca 0.16 -0.21 -0.31 0.00 0.47 0.00 0.00 55.06 55.16 1ck1 s HIS 31 Cb -0.08 -0.71 0.16 0.00 -0.13 0.00 0.00 32.58 31.83 1ck1 s HIS 31 CO 0.96 -0.40 1.23 1.52 -2.47 0.00 0.00 174.74 175.58 1ck1 s TYR 32 N 2.07 -0.14 -0.20 3.88 1.13 -1.26 -4.69 117.35 118.14 1ck1 s TYR 32 Ca 0.03 0.20 -0.10 0.00 -1.41 0.00 0.00 57.07 55.79 1ck1 s TYR 32 Cb -0.14 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1ck1 s TYR 32 CO -0.06 -0.15 0.13 0.08 -2.51 0.00 0.00 175.55 173.03 1ck1 s VAL 33 N -1.48 5.34 -0.12 -3.49 1.01 0.30 -4.95 120.40 117.01 1ck1 s VAL 33 Ca 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1ck1 s VAL 33 Cb -0.01 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1ck1 s VAL 33 CO -0.05 0.43 -0.04 -0.55 0.00 0.00 0.00 175.10 174.90 1ck1 s SER 34 N 0.44 2.21 0.05 3.32 0.15 -1.26 -2.49 113.70 116.11 1ck1 s SER 34 Ca 0.07 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.42 1ck1 s SER 34 Cb -0.11 -0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1ck1 s SER 34 CO -0.01 -0.17 -0.16 0.00 1.20 0.00 0.00 173.24 174.10 1ck1 s ALA 35 N 1.78 1.30 -0.11 5.45 0.00 -0.65 -4.99 121.76 124.54 1ck1 s ALA 35 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1ck1 s ALA 35 Cb -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1ck1 s ALA 35 CO -0.07 0.25 -0.23 0.99 0.00 0.00 0.00 175.76 176.69 1ck1 s THR 36 N -0.94 2.03 -1.20 0.00 2.01 -1.26 -1.48 115.64 114.80 1ck1 s THR 36 Ca 0.02 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.86 1ck1 s THR 36 Cb -0.08 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 1ck1 s THR 36 CO 0.02 0.55 0.71 0.29 -0.69 0.00 0.00 174.62 175.50 1ck1 n LYS 37 N 3.69 -1.68 -4.28 4.92 5.02 -1.13 -5.00 118.16 119.70 1ck1 n LYS 37 Ca -0.19 0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 56.29 1ck1 n LYS 37 Cb 0.53 -4.12 -0.07 0.00 -0.02 0.00 0.00 35.03 31.34 1ck1 n LYS 37 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ck1 s VAL 38 N -3.58 3.50 0.03 -0.18 -7.23 -0.22 -4.80 120.40 107.93 1ck1 s VAL 38 Ca 0.37 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1ck1 s VAL 38 Cb -0.14 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1ck1 s VAL 38 CO 0.87 -0.34 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.40 1ck1 s LYS 39 N -3.58 1.20 0.26 4.82 2.20 -1.26 -0.34 119.74 123.04 1ck1 s LYS 39 Ca 0.31 -0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 1ck1 s LYS 39 Cb -0.07 -1.24 -0.12 0.00 -1.51 0.00 0.00 37.83 34.89 1ck1 s LYS 39 CO 0.20 0.32 1.60 0.45 -0.36 0.00 0.00 175.35 177.55 1ck1 n SER 40 N 2.03 3.68 -0.08 1.43 2.88 -1.24 -4.77 113.62 117.54 1ck1 n SER 40 Ca -0.17 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.41 1ck1 n SER 40 Cb 0.54 -1.55 -0.12 0.00 -0.75 0.00 0.00 64.21 62.33 1ck1 n SER 40 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ck1 n VAL 41 N 2.62 1.08 -3.88 2.46 0.24 -0.93 -4.92 118.33 114.99 1ck1 n VAL 41 Ca 0.11 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 1ck1 n VAL 41 Cb 0.35 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1ck1 n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ck1 s ASP 42 N -5.01 0.16 -0.01 -1.34 2.15 -1.20 -5.04 116.67 106.38 1ck1 s ASP 42 Ca -0.09 -1.14 -0.03 0.00 0.43 0.00 0.00 52.55 51.72 1ck1 s ASP 42 Cb 0.05 0.78 -0.00 0.00 -0.30 0.00 0.00 42.92 43.45 1ck1 s ASP 42 CO 0.63 -1.54 0.06 -0.54 -0.17 0.00 0.00 175.17 173.61 1ck1 s LYS 43 N -2.76 0.22 0.00 4.34 1.02 -1.26 -0.79 119.74 120.51 1ck1 s LYS 43 Ca 0.18 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1ck1 s LYS 43 Cb -0.04 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1ck1 s LYS 43 CO 0.13 -0.04 0.00 0.34 -0.92 0.00 0.00 175.35 174.86 1ck1 n PHE 44 N 2.37 0.00 -2.92 3.18 7.35 -1.26 -4.98 117.46 121.20 1ck1 n PHE 44 Ca -0.17 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.33 1ck1 n PHE 44 Cb 0.58 -0.04 0.04 0.00 0.35 0.00 0.00 39.48 40.40 1ck1 n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ck1 s LEU 45 N -3.96 3.34 0.47 -2.13 1.43 -1.26 -5.03 118.68 111.54 1ck1 s LEU 45 Ca 0.00 -0.50 0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1ck1 s LEU 45 Cb 0.00 -2.27 1.07 0.00 0.03 0.00 0.00 46.19 45.02 1ck1 s LEU 45 CO 0.00 -1.13 2.04 0.00 0.23 0.00 0.00 176.35 177.48 1ck1 h ALA 46 N 0.27 1.78 -0.36 4.21 0.00 -1.99 -3.05 119.26 120.13 1ck1 h ALA 46 Ca -0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ck1 h ALA 46 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ck1 h ALA 46 CO 0.44 0.16 0.00 -2.39 0.00 0.00 0.00 179.25 177.47 1ck1 n HIS 47 N -4.39 0.46 -4.56 0.00 1.44 -1.26 -4.28 115.22 102.64 1ck1 n HIS 47 Ca -0.02 -0.23 -0.27 0.00 -2.01 0.00 0.00 57.72 55.18 1ck1 n HIS 47 Cb 0.19 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.20 1ck1 n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1ck1 s ASP 48 N -1.43 3.87 -0.01 4.39 1.47 -1.15 -1.41 116.67 122.40 1ck1 s ASP 48 Ca 0.37 -1.28 0.01 0.00 1.18 0.00 0.00 52.55 52.83 1ck1 s ASP 48 Cb 0.21 -0.39 0.00 0.00 -0.34 0.00 0.00 42.92 42.40 1ck1 s ASP 48 CO 0.29 -0.36 -0.05 -0.76 0.68 0.00 0.00 175.17 174.97 1ck1 s LEU 49 N -3.69 1.81 -0.12 2.11 1.43 -0.71 -4.53 118.68 114.98 1ck1 s LEU 49 Ca 0.34 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1ck1 s LEU 49 Cb 0.07 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1ck1 s LEU 49 CO 0.18 0.03 -0.04 -0.63 0.23 0.00 0.00 176.35 176.12 1ck1 s ILE 50 N 0.17 3.93 0.14 -0.59 1.01 0.03 -0.97 121.20 124.91 1ck1 s ILE 50 Ca -0.02 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1ck1 s ILE 50 Cb -0.05 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1ck1 s ILE 50 CO -0.00 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 174.98 1ck1 s TYR 51 N -0.17 1.80 -1.13 3.97 1.51 0.20 -2.19 117.35 121.35 1ck1 s TYR 51 Ca 0.03 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 1ck1 s TYR 51 Cb -0.13 -0.93 0.22 0.00 -0.11 0.00 0.00 41.96 41.01 1ck1 s TYR 51 CO 0.02 0.28 1.24 -0.80 -1.11 0.00 0.00 175.55 175.19 1ck1 s ASN 52 N -2.40 7.13 -0.23 2.29 0.01 -1.26 0.21 114.94 120.69 1ck1 s ASN 52 Ca 0.12 -3.16 -0.03 0.00 -0.71 0.00 0.00 52.86 49.08 1ck1 s ASN 52 Cb -0.07 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.28 1ck1 s ASN 52 CO 0.06 -0.57 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.40 1ck1 s ILE 53 N 0.39 3.15 -0.06 0.60 -1.09 -1.16 -4.91 121.20 118.11 1ck1 s ILE 53 Ca 0.36 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1ck1 s ILE 53 Cb -0.06 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1ck1 s ILE 53 CO -0.04 0.35 0.16 0.54 -1.23 0.00 0.00 174.94 174.71 1ck1 s ASN 54 N 1.42 6.34 -0.26 3.58 2.20 -1.26 -2.66 114.94 124.29 1ck1 s ASN 54 Ca 0.04 0.39 -0.28 0.00 -0.94 0.00 0.00 52.86 52.07 1ck1 s ASN 54 Cb -0.15 -2.01 0.01 0.00 -2.00 0.00 0.00 41.25 37.10 1ck1 s ASN 54 CO -0.04 0.33 1.00 -0.62 -2.94 0.00 0.00 177.10 174.83 1ck1 s ASP 55 N -1.49 6.98 -0.06 3.54 -1.08 -0.04 -4.96 116.67 119.56 1ck1 s ASP 55 Ca 0.21 1.18 -0.18 0.00 -0.52 0.00 0.00 52.55 53.25 1ck1 s ASP 55 Cb -0.12 -2.52 -0.13 0.00 -1.46 0.00 0.00 42.92 38.69 1ck1 s ASP 55 CO 0.11 -0.71 0.69 0.50 0.52 0.00 0.00 175.17 176.29 1ck1 h LYS 56 N 7.72 -0.23 0.28 4.34 3.64 -1.97 -2.97 116.57 127.38 1ck1 h LYS 56 Ca -0.20 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1ck1 h LYS 56 Cb 1.07 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1ck1 h LYS 56 CO 0.97 0.13 -0.13 0.87 -2.27 0.00 0.00 179.45 179.02 1ck1 h LYS 57 N -0.95 -0.36 0.00 1.90 6.56 -2.02 -3.38 116.57 118.32 1ck1 h LYS 57 Ca -0.02 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1ck1 h LYS 57 Cb 0.47 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.19 1ck1 h LYS 57 CO 0.04 -0.24 -1.25 -0.07 -2.06 0.00 0.00 179.45 175.87 1ck1 h LEU 58 N -0.44 0.00 -1.14 2.94 3.38 -2.01 -3.49 115.31 114.55 1ck1 h LEU 58 Ca -0.04 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 1ck1 h LEU 58 Cb 0.29 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.19 1ck1 h LEU 58 CO 0.06 0.42 -0.69 -3.20 0.09 0.00 0.00 178.44 175.12 1ck1 n ASN 59 N -2.85 -4.77 -0.07 -0.43 2.85 -1.12 -4.92 115.26 103.95 1ck1 n ASN 59 Ca -0.06 -0.55 0.14 0.00 -0.11 0.00 0.00 54.58 53.99 1ck1 n ASN 59 Cb 0.76 -4.96 0.55 0.00 1.24 0.00 0.00 39.78 37.37 1ck1 n ASN 59 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ck1 n ASN 60 N -2.97 0.36 -3.47 1.20 3.02 -1.26 -4.90 115.26 107.23 1ck1 n ASN 60 Ca -0.10 -0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1ck1 n ASN 60 Cb 0.60 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1ck1 n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ck1 s TYR 61 N -2.69 -0.47 0.00 3.10 -0.85 -1.26 -3.98 117.35 111.20 1ck1 s TYR 61 Ca 0.22 0.41 0.00 0.00 -0.52 0.00 0.00 57.07 57.18 1ck1 s TYR 61 Cb 0.19 0.53 0.00 0.00 0.38 0.00 0.00 41.96 43.06 1ck1 s TYR 61 CO 0.53 -0.67 0.39 -0.40 -1.52 0.00 0.00 175.55 173.87 1ck1 n ASP 62 N -0.09 0.17 -3.71 -0.18 5.68 -0.42 -0.86 116.55 117.14 1ck1 n ASP 62 Ca -0.14 -1.07 -0.11 0.00 -0.50 0.00 0.00 54.79 52.97 1ck1 n ASP 62 Cb 0.62 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.48 1ck1 n ASP 62 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1ck1 s LYS 63 N -0.07 0.30 -0.04 0.11 2.20 -1.09 -3.00 119.74 118.15 1ck1 s LYS 63 Ca 0.00 0.67 0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1ck1 s LYS 63 Cb 0.00 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 1ck1 s LYS 63 CO 0.00 -0.17 -0.22 0.08 -0.36 0.00 0.00 175.35 174.69 1ck1 s VAL 64 N 1.38 1.77 -0.15 4.02 1.01 0.13 -2.14 120.40 126.41 1ck1 s VAL 64 Ca -0.09 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1ck1 s VAL 64 Cb -0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1ck1 s VAL 64 CO -0.11 0.50 -0.14 -0.75 0.00 0.00 0.00 175.10 174.60 1ck1 s LYS 65 N -0.18 3.27 -0.13 2.72 2.20 -0.56 0.61 119.74 127.66 1ck1 s LYS 65 Ca -0.01 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 1ck1 s LYS 65 Cb -0.12 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.56 1ck1 s LYS 65 CO 0.02 0.05 -0.21 -0.08 -0.36 0.00 0.00 175.35 174.77 1ck1 s THR 66 N 0.73 2.18 -0.02 3.43 -1.32 -0.14 -1.05 115.64 119.45 1ck1 s THR 66 Ca -0.06 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 59.30 1ck1 s THR 66 Cb -0.15 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 68.91 1ck1 s THR 66 CO 0.01 0.55 0.47 -1.61 -2.21 0.00 0.00 174.62 171.82 1ck1 s GLU 67 N 0.70 4.12 0.41 7.08 2.02 -0.69 -1.73 118.70 130.60 1ck1 s GLU 67 Ca -0.09 0.50 0.07 0.00 0.02 0.00 0.00 54.97 55.47 1ck1 s GLU 67 Cb -0.16 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 1ck1 s GLU 67 CO 0.01 0.51 0.18 -0.51 0.02 0.00 0.00 175.26 175.48 1ck1 s LEU 68 N -0.56 3.14 0.36 1.80 1.43 -0.50 -2.07 118.68 122.28 1ck1 s LEU 68 Ca 0.26 -1.03 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1ck1 s LEU 68 Cb -0.17 -1.50 0.77 0.00 0.03 0.00 0.00 46.19 45.33 1ck1 s LEU 68 CO 0.14 -0.52 1.92 0.25 0.23 0.00 0.00 176.35 178.36 1ck1 h LEU 69 N 1.42 0.66 0.00 1.79 5.85 -1.47 -3.45 115.31 120.12 1ck1 h LEU 69 Ca -0.43 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1ck1 h LEU 69 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1ck1 h LEU 69 CO 0.69 0.39 0.29 -0.46 -0.34 0.00 0.00 178.44 179.01 1ck1 n ASN 70 N -4.51 -1.40 -0.27 1.25 0.23 -1.26 -5.04 115.26 104.26 1ck1 n ASN 70 Ca 0.14 -1.87 -0.05 0.00 -0.53 0.00 0.00 54.58 52.27 1ck1 n ASN 70 Cb 0.34 2.30 0.06 0.00 -2.08 0.00 0.00 39.78 40.40 1ck1 n ASN 70 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ck1 h GLU 71 N 0.00 1.02 -0.11 -3.83 3.07 -1.87 -2.47 114.58 110.40 1ck1 h GLU 71 Ca -0.21 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1ck1 h GLU 71 Cb 0.83 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1ck1 h GLU 71 CO 0.27 0.73 0.07 -0.44 -1.40 0.00 0.00 179.01 178.24 1ck1 h ASP 72 N 1.03 0.12 0.40 1.42 3.32 -1.96 0.12 116.42 120.85 1ck1 h ASP 72 Ca 0.27 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1ck1 h ASP 72 Cb -0.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ck1 h ASP 72 CO -0.05 0.09 -0.27 0.25 -1.72 0.00 0.00 179.24 177.54 1ck1 h LEU 73 N 0.14 0.00 0.04 1.55 5.85 -1.94 -2.51 115.31 118.44 1ck1 h LEU 73 Ca 0.04 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1ck1 h LEU 73 Cb -0.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ck1 h LEU 73 CO -0.01 0.27 -0.53 0.00 -0.34 0.00 0.00 178.44 177.83 1ck1 h ALA 74 N 1.73 0.01 0.00 1.25 0.00 -1.12 -3.27 119.26 117.86 1ck1 h ALA 74 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ck1 h ALA 74 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ck1 h ALA 74 CO 0.04 0.26 0.00 -0.91 0.00 0.00 0.00 179.25 178.64 1ck1 h ASN 75 N -0.36 0.00 0.07 0.00 -0.26 -0.88 -1.66 115.58 112.49 1ck1 h ASN 75 Ca -0.08 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.51 1ck1 h ASN 75 Cb 1.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.56 1ck1 h ASN 75 CO 0.10 0.00 -0.53 0.50 -1.06 0.00 0.00 177.43 176.44 1ck1 h LYS 76 N 0.00 0.50 -0.02 0.81 3.64 -1.49 -3.28 116.57 116.74 1ck1 h LYS 76 Ca 0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1ck1 h LYS 76 Cb 0.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ck1 h LYS 76 CO 0.00 0.91 -0.14 0.66 -2.27 0.00 0.00 179.45 178.60 1ck1 n TYR 77 N -3.96 0.00 -0.23 1.91 4.01 -0.95 -4.71 117.16 113.24 1ck1 n TYR 77 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.74 1ck1 n TYR 77 Cb 0.59 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.75 1ck1 n TYR 77 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ck1 h LYS 78 N 2.62 0.16 -0.27 -0.72 3.64 -1.37 -2.77 116.57 117.87 1ck1 h LYS 78 Ca 0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1ck1 h LYS 78 Cb 0.63 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1ck1 h LYS 78 CO 0.00 0.11 -0.16 -0.25 -2.27 0.00 0.00 179.45 176.88 1ck1 n ASP 79 N -5.25 2.39 -4.79 4.20 8.00 -1.26 -3.69 116.55 116.14 1ck1 n ASP 79 Ca 0.11 -3.75 -0.33 0.00 0.71 0.00 0.00 54.79 51.54 1ck1 n ASP 79 Cb 0.40 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 1ck1 n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ck1 s GLU 80 N -3.21 3.11 -0.31 -1.24 0.41 -1.04 -5.01 118.70 111.40 1ck1 s GLU 80 Ca 0.43 -0.46 -0.26 0.00 -0.41 0.00 0.00 54.97 54.27 1ck1 s GLU 80 Cb 0.39 -2.89 0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1ck1 s GLU 80 CO -0.01 0.65 0.93 0.08 -0.49 0.00 0.00 175.26 176.42 1ck1 s VAL 81 N -1.20 4.66 0.26 2.63 1.01 -1.26 -4.35 120.40 122.15 1ck1 s VAL 81 Ca 0.23 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.69 1ck1 s VAL 81 Cb -0.12 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1ck1 s VAL 81 CO 0.14 -0.36 0.03 0.68 0.00 0.00 0.00 175.10 175.59 1ck1 s VAL 82 N 3.28 0.97 0.02 2.92 -7.23 0.53 -2.40 120.40 118.50 1ck1 s VAL 82 Ca 0.39 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1ck1 s VAL 82 Cb -0.13 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1ck1 s VAL 82 CO 0.14 -0.19 -0.03 -1.81 -0.31 0.00 0.00 175.10 172.90 1ck1 s ASP 83 N -3.35 4.86 -0.02 4.85 1.01 -0.23 -1.05 116.67 122.73 1ck1 s ASP 83 Ca 0.32 -0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.54 1ck1 s ASP 83 Cb 0.07 -1.18 -0.01 0.00 1.01 0.00 0.00 42.92 42.80 1ck1 s ASP 83 CO 0.11 0.26 -0.21 -0.69 0.21 0.00 0.00 175.17 174.85 1ck1 s VAL 84 N -1.08 1.70 -0.21 -1.27 1.01 -0.55 -2.34 120.40 117.67 1ck1 s VAL 84 Ca 0.19 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1ck1 s VAL 84 Cb -0.11 -1.42 0.09 0.00 0.00 0.00 0.00 36.38 34.94 1ck1 s VAL 84 CO 0.10 0.48 0.45 -0.47 0.00 0.00 0.00 175.10 175.66 1ck1 s TYR 85 N -0.39 -0.84 -0.04 5.22 6.14 -0.25 -1.64 117.35 125.55 1ck1 s TYR 85 Ca 0.05 1.60 -0.31 0.00 0.64 0.00 0.00 57.07 59.05 1ck1 s TYR 85 Cb -0.09 0.36 0.13 0.00 0.42 0.00 0.00 41.96 42.78 1ck1 s TYR 85 CO 0.00 -0.49 1.33 0.20 0.64 0.00 0.00 175.55 177.23 1ck1 s GLY 86 N 2.49 -0.43 -0.29 8.97 0.00 -1.04 -4.21 107.32 112.80 1ck1 s GLY 86 Ca -0.03 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.23 1ck1 s GLY 86 CO -0.14 0.33 0.61 -0.45 0.00 0.00 0.00 173.10 173.45 1ck1 s SER 87 N -3.02 6.50 0.33 1.64 0.15 -1.26 -0.54 113.70 117.50 1ck1 s SER 87 Ca 0.15 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1ck1 s SER 87 Cb 0.06 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1ck1 s SER 87 CO -0.05 -0.44 0.52 0.54 1.20 0.00 0.00 173.24 175.01 1ck1 s ASN 88 N 1.61 6.30 0.11 5.45 6.03 -1.26 -4.55 114.94 128.62 1ck1 s ASN 88 Ca 0.25 0.41 -0.02 0.00 -1.03 0.00 0.00 52.86 52.47 1ck1 s ASN 88 Cb -0.15 -2.02 -0.04 0.00 -3.03 0.00 0.00 41.25 36.02 1ck1 s ASN 88 CO 0.11 -0.26 0.05 -0.72 -2.03 0.00 0.00 177.10 174.25 1ck1 s TYR 89 N -2.26 0.69 0.00 1.54 1.13 0.26 -4.95 117.35 113.75 1ck1 s TYR 89 Ca 0.39 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 1ck1 s TYR 89 Cb -0.10 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.36 1ck1 s TYR 89 CO 0.35 -0.49 0.00 0.66 -2.51 0.00 0.00 175.55 173.56 1ck1 n TYR 90 N -0.04 0.00 -2.23 -3.49 4.02 -1.26 -1.81 117.16 112.35 1ck1 n TYR 90 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 1ck1 n TYR 90 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.92 1ck1 n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ck1 s VAL 91 N -1.96 3.78 -1.05 -0.72 1.01 -1.26 -3.09 120.40 117.11 1ck1 s VAL 91 Ca 0.00 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1ck1 s VAL 91 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ck1 s VAL 91 CO 0.00 -0.03 0.91 0.59 0.00 0.00 0.00 175.10 176.57 1ck1 n ASN 92 N 5.76 -4.64 -4.33 3.32 5.03 0.10 -4.73 115.26 115.77 1ck1 n ASN 92 Ca 0.14 -0.45 -0.38 0.00 0.87 0.00 0.00 54.58 54.76 1ck1 n ASN 92 Cb 0.44 -4.15 -0.12 0.00 -1.02 0.00 0.00 39.78 34.93 1ck1 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ck1 s TYR 94 N 1.49 2.62 -0.14 0.00 2.02 -1.26 -4.70 117.35 117.37 1ck1 s TYR 94 Ca 0.01 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1ck1 s TYR 94 Cb -0.18 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1ck1 s TYR 94 CO 0.04 0.06 0.15 1.19 -1.57 0.00 0.00 175.55 175.41 1ck1 n PHE 95 N 2.53 0.00 -4.05 2.71 3.01 -1.26 -5.06 117.46 115.35 1ck1 n PHE 95 Ca -0.17 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1ck1 n PHE 95 Cb 0.52 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.88 1ck1 n PHE 95 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ck1 s SER 96 N -1.60 0.27 0.00 4.37 0.15 -1.26 -4.75 113.70 110.87 1ck1 s SER 96 Ca 0.01 -1.00 0.24 0.00 0.70 0.00 0.00 55.95 55.90 1ck1 s SER 96 Cb 0.03 0.31 1.06 0.00 -1.71 0.00 0.00 66.02 65.70 1ck1 s SER 96 CO 0.16 -0.73 1.77 -1.54 1.20 0.00 0.00 173.24 174.10 1ck1 n SER 97 N -0.06 0.00 -0.76 5.45 3.41 -1.26 -2.92 113.62 117.47 1ck1 n SER 97 Ca -0.09 0.40 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1ck1 n SER 97 Cb 0.63 -0.46 0.25 0.00 -0.26 0.00 0.00 64.21 64.37 1ck1 n SER 97 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ck1 n LYS 98 N -1.46 1.97 -3.10 4.33 4.01 -1.26 -4.90 118.16 117.75 1ck1 n LYS 98 Ca 0.07 -1.49 -0.40 0.00 -0.51 0.00 0.00 58.31 55.99 1ck1 n LYS 98 Cb 0.26 -1.37 -0.05 0.00 -0.51 0.00 0.00 35.03 33.36 1ck1 n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ck1 s ASP 99 N -1.23 6.86 0.65 4.39 1.11 -1.15 -5.07 116.67 122.23 1ck1 s ASP 99 Ca 0.31 1.04 -0.11 0.00 0.18 0.00 0.00 52.55 53.97 1ck1 s ASP 99 Cb 0.17 -2.38 -0.02 0.00 1.07 0.00 0.00 42.92 41.76 1ck1 s ASP 99 CO 0.23 -0.15 1.05 0.54 1.18 0.00 0.00 175.17 178.01 1ck1 s ASN 100 N 0.89 5.97 0.16 0.27 4.22 -1.26 -5.02 114.94 120.16 1ck1 s ASN 100 Ca 0.33 1.37 -0.30 0.00 -2.14 0.00 0.00 52.86 52.12 1ck1 s ASN 100 Cb -0.17 -2.35 -0.08 0.00 1.28 0.00 0.00 41.25 39.94 1ck1 s ASN 100 CO 0.14 -1.03 1.30 -0.69 -2.04 0.00 0.00 177.10 174.78 1ck1 s VAL 101 N -3.21 3.38 0.00 3.54 1.01 -1.26 -3.09 120.40 120.77 1ck1 s VAL 101 Ca 0.56 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1ck1 s VAL 101 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1ck1 s VAL 101 CO 0.54 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1ck1 n GLY 102 N 2.72 0.91 3.67 4.51 0.00 -1.26 -5.05 105.19 110.70 1ck1 n GLY 102 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 1ck1 n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ck1 n LYS 103 N -2.17 2.07 0.02 1.61 0.00 -1.18 -4.62 118.16 113.90 1ck1 n LYS 103 Ca 0.00 0.75 0.11 0.00 0.00 0.00 0.00 58.31 59.17 1ck1 n LYS 103 Cb 0.00 -2.52 0.04 0.00 0.00 0.00 0.00 35.03 32.55 1ck1 n LYS 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ck1 n VAL 104 N 3.63 0.12 -1.85 3.15 0.31 -1.26 -0.72 118.33 121.71 1ck1 n VAL 104 Ca 0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1ck1 n VAL 104 Cb 0.28 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1ck1 n VAL 104 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ck1 n THR 105 N -1.83 -5.64 0.00 2.52 -1.04 -1.26 -4.49 114.28 102.55 1ck1 n THR 105 Ca 0.03 2.08 0.00 0.00 -2.04 0.00 0.00 64.05 64.12 1ck1 n THR 105 Cb 0.41 -2.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.00 1ck1 n THR 105 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ck1 n SER 106 N 0.88 0.00 -1.87 8.00 3.41 -1.26 -4.64 113.62 118.14 1ck1 n SER 106 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1ck1 n SER 106 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1ck1 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ck1 n GLY 107 N 3.09 4.05 3.04 5.00 0.00 -1.26 -4.74 105.19 114.37 1ck1 n GLY 107 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1ck1 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ck1 s LYS 108 N -2.02 0.54 0.04 1.61 1.02 -1.26 -1.30 119.74 118.38 1ck1 s LYS 108 Ca 0.34 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1ck1 s LYS 108 Cb 0.28 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.17 1ck1 s LYS 108 CO 0.02 0.08 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.41 1ck1 s THR 109 N -1.00 0.25 0.17 2.17 -1.32 -0.91 -4.88 115.64 110.12 1ck1 s THR 109 Ca -0.06 -1.36 0.10 0.00 -1.21 0.00 0.00 61.69 59.17 1ck1 s THR 109 Cb -0.08 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1ck1 s THR 109 CO 0.00 -0.71 -0.18 0.00 -2.21 0.00 0.00 174.62 171.53 1ck1 s MET 111 N -2.57 2.21 0.01 0.00 0.23 -0.22 -0.57 119.30 118.38 1ck1 s MET 111 Ca 0.21 -1.44 0.06 0.00 -1.03 0.00 0.00 55.69 53.49 1ck1 s MET 111 Cb -0.09 0.62 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 1ck1 s MET 111 CO 0.12 -1.03 -0.17 0.71 -2.03 0.00 0.00 175.02 172.61 1ck1 s TYR 112 N -2.40 1.53 0.00 3.16 2.02 -1.26 -1.70 117.35 118.69 1ck1 s TYR 112 Ca 0.16 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1ck1 s TYR 112 Cb -0.05 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1ck1 s TYR 112 CO 0.12 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1ck1 n GLY 113 N 2.40 3.05 2.33 0.71 0.00 -0.88 -4.74 105.19 108.06 1ck1 n GLY 113 Ca -0.16 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1ck1 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ck1 n GLY 114 N 0.00 0.65 3.49 -0.02 0.00 -1.26 -4.86 105.19 103.19 1ck1 n GLY 114 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1ck1 n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ck1 s ILE 115 N -2.58 3.83 0.02 -0.61 1.01 -1.26 -1.09 121.20 120.52 1ck1 s ILE 115 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1ck1 s ILE 115 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1ck1 s ILE 115 CO 0.00 0.49 -0.06 0.42 0.00 0.00 0.00 174.94 175.80 1ck1 s THR 116 N 0.38 0.41 0.29 2.92 -4.23 -0.99 -4.90 115.64 109.53 1ck1 s THR 116 Ca -0.04 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1ck1 s THR 116 Cb -0.14 -0.44 -0.10 0.00 1.34 0.00 0.00 72.50 73.15 1ck1 s THR 116 CO 0.03 -0.23 1.26 -0.54 -0.54 0.00 0.00 174.62 174.61 1ck1 s LYS 117 N -1.04 4.42 -0.07 3.99 1.02 -1.26 -1.07 119.74 125.74 1ck1 s LYS 117 Ca -0.07 2.10 -0.25 0.00 0.02 0.00 0.00 55.97 57.77 1ck1 s LYS 117 Cb -0.07 -3.12 -0.25 0.00 -0.52 0.00 0.00 37.83 33.87 1ck1 s LYS 117 CO 0.00 -0.11 0.97 1.25 -0.92 0.00 0.00 175.35 176.54 1ck1 h HIS 118 N 3.88 0.22 -2.62 3.18 -0.00 -1.79 -3.41 115.15 114.60 1ck1 h HIS 118 Ca -0.48 -0.13 -0.53 0.00 -0.00 0.00 0.00 60.37 59.23 1ck1 h HIS 118 Cb 1.22 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 28.63 1ck1 h HIS 118 CO 0.58 0.97 1.05 -2.00 -0.00 0.00 0.00 177.93 178.53 1ck1 s GLU 119 N -2.92 4.18 -1.02 5.26 -6.30 -1.26 -3.03 118.70 113.61 1ck1 s GLU 119 Ca -0.16 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 54.67 1ck1 s GLU 119 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 34.13 30.40 1ck1 s GLU 119 CO 0.74 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1ck1 n GLY 120 N 4.10 1.06 0.54 -1.50 0.00 -1.26 -4.93 105.19 103.20 1ck1 n GLY 120 Ca 0.17 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1ck1 n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ck1 n ASN 121 N 0.42 2.73 -4.49 1.61 5.15 -1.17 -4.97 115.26 114.54 1ck1 n ASN 121 Ca -0.10 -1.96 -0.29 0.00 -0.60 0.00 0.00 54.58 51.64 1ck1 n ASN 121 Cb 0.33 -0.19 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 1ck1 n ASN 121 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ck1 s HIS 122 N -0.99 2.52 0.23 1.20 3.76 -1.26 -0.89 115.29 119.87 1ck1 s HIS 122 Ca 0.19 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 1ck1 s HIS 122 Cb 0.10 -1.31 -0.10 0.00 1.11 0.00 0.00 32.58 32.38 1ck1 s HIS 122 CO 0.13 0.42 1.45 -0.06 -0.85 0.00 0.00 174.74 175.84 1ck1 s PHE 123 N -1.30 3.04 0.28 1.40 0.08 -1.25 -4.94 117.98 115.28 1ck1 s PHE 123 Ca 0.19 0.98 -0.08 0.00 0.12 0.00 0.00 56.93 58.14 1ck1 s PHE 123 Cb -0.10 -3.82 0.47 0.00 -0.57 0.00 0.00 43.02 39.00 1ck1 s PHE 123 CO 0.11 -2.73 1.56 -0.44 -0.10 0.00 0.00 175.22 173.62 1ck1 h ASP 124 N 5.35 -0.89 -0.40 1.36 5.19 -1.98 -0.94 116.42 124.11 1ck1 h ASP 124 Ca -0.45 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1ck1 h ASP 124 Cb 1.22 0.60 0.00 0.00 0.18 0.00 0.00 39.33 41.33 1ck1 h ASP 124 CO 0.80 -0.33 0.00 0.59 -3.12 0.00 0.00 179.24 177.18 1ck1 n ASN 125 N -5.61 2.46 -0.63 6.45 5.03 -1.26 -4.91 115.26 116.79 1ck1 n ASN 125 Ca 0.16 -1.93 -0.03 0.00 0.87 0.00 0.00 54.58 53.65 1ck1 n ASN 125 Cb 0.51 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 1ck1 n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ck1 n GLY 126 N 1.26 0.47 3.99 7.41 0.00 -0.36 -5.06 105.19 112.90 1ck1 n GLY 126 Ca 0.16 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1ck1 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ck1 s ASN 127 N -2.95 4.67 -0.05 1.61 -0.87 -1.26 -5.04 114.94 111.05 1ck1 s ASN 127 Ca 0.04 -0.25 0.06 0.00 -1.57 0.00 0.00 52.86 51.14 1ck1 s ASN 127 Cb -0.02 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.25 40.90 1ck1 s ASN 127 CO 0.05 -1.62 -0.23 -0.76 -2.57 0.00 0.00 177.10 171.97 1ck1 s LEU 128 N -5.01 2.20 -0.06 0.60 1.43 -1.26 -4.63 118.68 111.94 1ck1 s LEU 128 Ca 0.63 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1ck1 s LEU 128 Cb -0.07 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1ck1 s LEU 128 CO 0.42 0.28 0.55 -1.58 0.23 0.00 0.00 176.35 176.25 1ck1 s GLN 129 N -0.37 4.32 -0.23 1.70 2.00 0.11 -4.88 119.66 122.30 1ck1 s GLN 129 Ca 0.03 0.62 -0.17 0.00 -2.00 0.00 0.00 55.36 53.83 1ck1 s GLN 129 Cb -0.12 -3.39 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 1ck1 s GLN 129 CO 0.02 0.26 0.47 -0.80 -0.50 0.00 0.00 175.29 174.73 1ck1 s ASN 130 N 0.23 6.44 -0.23 6.67 0.02 -1.26 -2.11 114.94 124.70 1ck1 s ASN 130 Ca 0.29 0.53 -0.05 0.00 -1.02 0.00 0.00 52.86 52.61 1ck1 s ASN 130 Cb -0.17 -2.26 -0.02 0.00 0.02 0.00 0.00 41.25 38.82 1ck1 s ASN 130 CO 0.14 -0.19 0.00 -0.69 0.02 0.00 0.00 177.10 176.39 1ck1 s VAL 131 N 1.84 3.78 -0.02 1.60 1.01 -0.06 -4.96 120.40 123.60 1ck1 s VAL 131 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1ck1 s VAL 131 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ck1 s VAL 131 CO 0.09 0.39 0.90 -0.22 0.00 0.00 0.00 175.10 176.26 1ck1 s LEU 132 N 1.50 4.35 -0.20 3.92 2.96 -1.26 -1.53 118.68 128.41 1ck1 s LEU 132 Ca 0.06 1.52 -0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1ck1 s LEU 132 Cb -0.15 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 1ck1 s LEU 132 CO -0.00 -0.22 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.12 1ck1 s ILE 133 N 0.97 3.32 -0.27 6.68 -1.09 0.23 -3.96 121.20 127.08 1ck1 s ILE 133 Ca 0.48 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 58.27 1ck1 s ILE 133 Cb -0.20 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1ck1 s ILE 133 CO 0.25 0.45 0.15 -0.13 -1.23 0.00 0.00 174.94 174.43 1ck1 s ARG 134 N 1.23 3.84 -0.22 2.79 0.52 -0.84 -2.33 118.95 123.95 1ck1 s ARG 134 Ca 0.03 -0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 1ck1 s ARG 134 Cb -0.14 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1ck1 s ARG 134 CO -0.02 -0.19 0.18 0.08 0.02 0.00 0.00 175.30 175.37 1ck1 s VAL 135 N 1.71 5.36 -0.22 3.52 1.01 -0.57 -0.85 120.40 130.36 1ck1 s VAL 135 Ca 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1ck1 s VAL 135 Cb -0.16 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ck1 s VAL 135 CO 0.09 0.37 -0.09 -0.31 0.00 0.00 0.00 175.10 175.15 1ck1 s TYR 136 N 0.83 2.94 -0.36 5.22 1.51 0.61 -2.15 117.35 125.95 1ck1 s TYR 136 Ca 0.09 -1.34 -0.05 0.00 -1.01 0.00 0.00 57.07 54.76 1ck1 s TYR 136 Cb -0.13 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 1ck1 s TYR 136 CO 0.03 -0.68 0.13 -1.21 -1.11 0.00 0.00 175.55 172.71 1ck1 s GLU 137 N 1.38 2.41 -0.94 -0.62 2.02 0.22 -0.40 118.70 122.77 1ck1 s GLU 137 Ca 0.04 -1.42 -0.03 0.00 0.02 0.00 0.00 54.97 53.58 1ck1 s GLU 137 Cb -0.15 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1ck1 s GLU 137 CO -0.06 -0.81 0.80 0.09 0.02 0.00 0.00 175.26 175.30 1ck1 n ASN 138 N 4.73 -3.38 -1.98 -0.19 3.02 -0.04 -2.88 115.26 114.53 1ck1 n ASN 138 Ca -0.10 -0.44 -0.18 0.00 -0.03 0.00 0.00 54.58 53.83 1ck1 n ASN 138 Cb 0.43 -3.93 -0.02 0.00 -0.61 0.00 0.00 39.78 35.66 1ck1 n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ck1 n LYS 139 N -3.56 -1.43 -3.93 3.52 5.02 -1.26 -4.99 118.16 111.53 1ck1 n LYS 139 Ca -0.12 0.93 -0.25 0.00 -2.02 0.00 0.00 58.31 56.84 1ck1 n LYS 139 Cb 0.59 -5.41 -0.17 0.00 -0.02 0.00 0.00 35.03 30.03 1ck1 n LYS 139 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ck1 s ARG 140 N -4.70 1.19 -0.81 1.97 3.00 -1.14 -5.08 118.95 113.37 1ck1 s ARG 140 Ca 0.00 -0.14 -0.25 0.00 -1.00 0.00 0.00 55.73 54.34 1ck1 s ARG 140 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 34.95 33.59 1ck1 s ARG 140 CO 0.00 -0.24 1.92 1.21 0.00 0.00 0.00 175.30 178.19 1ck1 s ASN 141 N 1.66 5.17 -0.11 -2.12 2.47 -1.26 -0.61 114.94 120.15 1ck1 s ASN 141 Ca 0.02 -0.36 -0.24 0.00 0.42 0.00 0.00 52.86 52.70 1ck1 s ASN 141 Cb -0.13 -2.55 -0.21 0.00 -1.45 0.00 0.00 41.25 36.91 1ck1 s ASN 141 CO -0.06 -2.64 0.77 0.71 -3.72 0.00 0.00 177.10 172.16 1ck1 h THR 142 N 7.15 1.43 -4.28 -5.21 1.35 -1.78 -3.49 112.91 108.09 1ck1 h THR 142 Ca -0.01 -1.89 -0.15 0.00 -0.55 0.00 0.00 66.41 63.81 1ck1 h THR 142 Cb 1.05 2.62 -0.15 0.00 -1.73 0.00 0.00 68.15 69.95 1ck1 h THR 142 CO 1.21 0.45 -0.63 0.27 -0.25 0.00 0.00 175.52 176.57 1ck1 s ILE 143 N -2.57 0.16 -0.04 6.82 -4.36 -1.24 -5.07 121.20 114.89 1ck1 s ILE 143 Ca -0.16 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1ck1 s ILE 143 Cb -0.02 -1.76 0.03 0.00 1.25 0.00 0.00 42.46 41.96 1ck1 s ILE 143 CO 0.59 -0.71 0.10 -0.44 0.24 0.00 0.00 174.94 174.71 1ck1 s SER 144 N -2.98 -0.06 0.21 4.36 0.01 -1.26 -1.51 113.70 112.47 1ck1 s SER 144 Ca 0.15 0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 1ck1 s SER 144 Cb 0.07 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1ck1 s SER 144 CO -0.04 -0.10 0.18 0.72 0.41 0.00 0.00 173.24 174.41 1ck1 s PHE 145 N 0.75 1.03 -0.02 2.43 -0.71 -0.98 -4.99 117.98 115.48 1ck1 s PHE 145 Ca -0.06 -1.27 0.07 0.00 -1.04 0.00 0.00 56.93 54.63 1ck1 s PHE 145 Cb -0.08 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 1ck1 s PHE 145 CO -0.03 -0.69 -0.24 -1.21 -1.34 0.00 0.00 175.22 171.70 1ck1 s GLU 146 N -4.14 2.02 0.29 1.99 2.02 -1.26 -0.60 118.70 119.02 1ck1 s GLU 146 Ca 0.36 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.58 1ck1 s GLU 146 Cb 0.06 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1ck1 s GLU 146 CO 0.11 0.50 0.05 0.14 0.02 0.00 0.00 175.26 176.08 1ck1 s VAL 147 N -0.52 3.34 0.23 2.63 -7.23 -0.58 -4.92 120.40 113.35 1ck1 s VAL 147 Ca 0.08 -1.83 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1ck1 s VAL 147 Cb -0.10 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 1ck1 s VAL 147 CO -0.00 -0.31 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.17 1ck1 s GLN 148 N -3.73 1.54 -0.08 4.82 -0.21 -1.26 -0.88 119.66 119.85 1ck1 s GLN 148 Ca 0.33 -1.63 -0.23 0.00 0.02 0.00 0.00 55.36 53.85 1ck1 s GLN 148 Cb -0.05 -1.66 0.05 0.00 1.00 0.00 0.00 33.01 32.35 1ck1 s GLN 148 CO 0.21 0.33 0.55 -0.08 -2.12 0.00 0.00 175.29 174.17 1ck1 s THR 149 N -2.25 0.02 -2.48 -0.19 -1.32 -0.90 -4.97 115.64 103.55 1ck1 s THR 149 Ca 0.24 -0.14 0.23 0.00 -1.21 0.00 0.00 61.69 60.82 1ck1 s THR 149 Cb -0.05 -0.84 0.41 0.00 -1.51 0.00 0.00 72.50 70.51 1ck1 s THR 149 CO 0.11 -0.07 1.46 -0.90 -2.21 0.00 0.00 174.62 173.00 1ck1 n ASP 150 N 1.51 2.64 -4.66 8.08 5.75 -1.26 -0.71 116.55 127.90 1ck1 n ASP 150 Ca -0.18 -1.86 -0.35 0.00 -0.01 0.00 0.00 54.79 52.39 1ck1 n ASP 150 Cb 0.56 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.41 1ck1 n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ck1 s LYS 151 N -1.70 2.97 -0.01 0.11 1.02 -1.26 -3.96 119.74 116.91 1ck1 s LYS 151 Ca 0.35 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.69 1ck1 s LYS 151 Cb 0.20 -2.76 -0.22 0.00 -0.52 0.00 0.00 37.83 34.53 1ck1 s LYS 151 CO 0.30 0.67 1.10 0.87 -0.92 0.00 0.00 175.35 177.37 1ck1 h LYS 152 N 5.25 0.32 -4.72 1.68 1.57 -1.38 -3.41 116.57 115.89 1ck1 h LYS 152 Ca -0.50 -0.32 -0.68 0.00 -1.87 0.00 0.00 60.65 57.28 1ck1 h LYS 152 Cb 1.19 0.09 -0.33 0.00 0.08 0.00 0.00 32.23 33.25 1ck1 h LYS 152 CO 0.54 1.00 -0.68 0.45 -0.57 0.00 0.00 179.45 180.20 1ck1 s SER 153 N -6.53 4.95 0.11 0.86 0.15 -1.26 -1.44 113.70 110.54 1ck1 s SER 153 Ca -0.14 -1.45 0.07 0.00 0.70 0.00 0.00 55.95 55.13 1ck1 s SER 153 Cb 0.03 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1ck1 s SER 153 CO 0.79 -0.32 -0.10 0.54 1.20 0.00 0.00 173.24 175.35 1ck1 s VAL 154 N 1.22 3.34 0.55 4.45 0.11 -0.79 -4.92 120.40 124.36 1ck1 s VAL 154 Ca -0.02 -1.30 -0.18 0.00 -2.93 0.00 0.00 61.98 57.55 1ck1 s VAL 154 Cb -0.20 -2.57 -0.05 0.00 -1.53 0.00 0.00 36.38 32.03 1ck1 s VAL 154 CO -0.02 0.10 1.08 0.42 -3.33 0.00 0.00 175.10 173.35 1ck1 s THR 155 N -1.24 3.49 0.43 5.04 -4.23 -1.26 -0.31 115.64 117.56 1ck1 s THR 155 Ca 0.21 0.85 0.31 0.00 -1.18 0.00 0.00 61.69 61.89 1ck1 s THR 155 Cb -0.11 -3.33 0.34 0.00 1.34 0.00 0.00 72.50 70.74 1ck1 s THR 155 CO 0.14 -0.28 2.12 0.00 -0.54 0.00 0.00 174.62 176.06 1ck1 h ALA 156 N 1.00 1.22 0.43 3.99 0.00 -1.07 -3.13 119.26 121.70 1ck1 h ALA 156 Ca -0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1ck1 h ALA 156 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ck1 h ALA 156 CO 0.57 0.09 -0.20 0.37 0.00 0.00 0.00 179.25 180.08 1ck1 h GLN 157 N 0.00 -0.55 -0.79 0.00 4.15 -1.91 -2.20 115.11 113.80 1ck1 h GLN 157 Ca -0.00 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.58 1ck1 h GLN 157 Cb 0.28 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 1ck1 h GLN 157 CO 0.01 -0.30 0.39 1.49 -1.93 0.00 0.00 178.83 178.49 1ck1 h GLU 158 N -0.69 0.59 -0.38 1.69 4.81 -1.78 -0.07 114.58 118.74 1ck1 h GLU 158 Ca -0.06 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1ck1 h GLU 158 Cb 0.50 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ck1 h GLU 158 CO 0.10 0.39 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.32 1ck1 h LEU 159 N 0.61 0.98 -0.35 1.64 3.38 -1.63 -2.39 115.31 117.55 1ck1 h LEU 159 Ca 0.41 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1ck1 h LEU 159 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ck1 h LEU 159 CO -0.33 1.24 -0.01 -0.78 0.09 0.00 0.00 178.44 178.65 1ck1 h ASP 160 N 0.76 0.62 0.01 -0.43 3.58 -0.91 -1.21 116.42 118.83 1ck1 h ASP 160 Ca 0.06 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 1ck1 h ASP 160 Cb 0.97 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1ck1 h ASP 160 CO 0.09 0.79 -0.00 0.40 -2.88 0.00 0.00 179.24 177.64 1ck1 h ILE 161 N 0.44 0.99 -0.12 2.25 2.04 -1.02 -1.11 117.51 120.99 1ck1 h ILE 161 Ca 0.10 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1ck1 h ILE 161 Cb 0.48 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ck1 h ILE 161 CO 0.02 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 178.12 1ck1 h LYS 162 N -0.01 0.19 -0.13 2.37 1.57 -1.40 -1.30 116.57 117.86 1ck1 h LYS 162 Ca -0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1ck1 h LYS 162 Cb 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ck1 h LYS 162 CO 0.00 0.35 -0.46 0.00 -0.57 0.00 0.00 179.45 178.77 1ck1 h ALA 163 N 1.67 0.22 -0.34 3.86 0.00 -0.94 -3.10 119.26 120.62 1ck1 h ALA 163 Ca 0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1ck1 h ALA 163 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ck1 h ALA 163 CO 0.02 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 1ck1 h ARG 164 N 0.15 0.74 -0.51 0.00 3.08 -1.07 -2.43 114.38 114.33 1ck1 h ARG 164 Ca -0.02 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.74 1ck1 h ARG 164 Cb 1.09 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 1ck1 h ARG 164 CO 0.10 0.96 0.24 -0.97 -1.07 0.00 0.00 179.97 179.23 1ck1 h ASN 165 N 0.63 0.33 -0.41 7.04 -1.24 -1.30 0.33 115.58 120.95 1ck1 h ASN 165 Ca 0.07 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 1ck1 h ASN 165 Cb 0.85 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 1ck1 h ASN 165 CO 0.07 0.22 0.02 0.15 -1.29 0.00 0.00 177.43 176.61 1ck1 h PHE 166 N 0.47 0.76 0.00 0.67 3.04 -1.47 -3.06 116.94 117.35 1ck1 h PHE 166 Ca 0.23 -0.12 -0.06 0.00 3.98 0.00 0.00 57.97 62.00 1ck1 h PHE 166 Cb 0.17 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1ck1 h PHE 166 CO -0.12 0.76 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.59 1ck1 h LEU 167 N 0.54 0.00 -0.46 0.59 3.38 -0.91 0.16 115.31 118.61 1ck1 h LEU 167 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ck1 h LEU 167 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ck1 h LEU 167 CO 0.02 0.28 -0.10 0.40 0.09 0.00 0.00 178.44 179.12 1ck1 h ILE 168 N 0.00 1.27 0.01 1.22 2.04 -0.87 -0.39 117.51 120.79 1ck1 h ILE 168 Ca -0.00 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 1ck1 h ILE 168 Cb 0.51 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ck1 h ILE 168 CO 0.04 0.42 -0.00 0.78 0.00 0.00 0.00 178.15 179.38 1ck1 h ASN 169 N 0.72 -0.01 0.09 1.72 2.35 -1.37 -2.43 115.58 116.66 1ck1 h ASN 169 Ca 0.12 -0.71 -0.26 0.00 -0.55 0.00 0.00 56.30 54.90 1ck1 h ASN 169 Cb 0.65 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.04 1ck1 h ASN 169 CO 0.04 0.72 -1.02 0.50 -1.65 0.00 0.00 177.43 176.03 1ck1 h LYS 170 N -0.75 0.63 0.00 0.81 3.11 -1.05 -3.37 116.57 115.94 1ck1 h LYS 170 Ca -0.00 -0.67 0.00 0.00 -2.81 0.00 0.00 60.65 57.16 1ck1 h LYS 170 Cb 0.72 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1ck1 h LYS 170 CO 0.00 1.27 0.00 1.63 -2.81 0.00 0.00 179.45 179.54 1ck1 n LYS 171 N -3.83 1.16 -3.77 1.90 4.76 -0.24 -5.02 118.16 113.12 1ck1 n LYS 171 Ca -0.10 -1.04 -0.25 0.00 -2.87 0.00 0.00 58.31 54.06 1ck1 n LYS 171 Cb 0.87 -1.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.10 1ck1 n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ck1 n ASN 172 N -0.27 -2.95 -0.22 4.39 3.02 -0.70 -4.89 115.26 113.64 1ck1 n ASN 172 Ca 0.00 -0.78 -0.02 0.00 -0.03 0.00 0.00 54.58 53.75 1ck1 n ASN 172 Cb 0.14 -4.07 0.04 0.00 -0.61 0.00 0.00 39.78 35.28 1ck1 n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ck1 h LEU 173 N -2.01 -0.87 -8.43 3.41 5.85 -1.59 -3.40 115.31 108.28 1ck1 h LEU 173 Ca -0.60 0.22 -0.63 0.00 0.84 0.00 0.00 57.88 57.71 1ck1 h LEU 173 Cb 1.37 0.49 -0.31 0.00 0.37 0.00 0.00 40.66 42.58 1ck1 h LEU 173 CO 0.61 -0.26 -0.87 -0.31 -0.34 0.00 0.00 178.44 177.27 1ck1 s TYR 174 N -6.13 2.06 0.46 1.25 2.02 -1.26 -4.40 117.35 111.36 1ck1 s TYR 174 Ca -0.14 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1ck1 s TYR 174 Cb 0.18 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 1ck1 s TYR 174 CO 0.72 -0.12 0.08 0.39 -1.57 0.00 0.00 175.55 175.05 1ck1 n GLU 175 N 2.80 0.65 0.11 -0.62 1.02 -0.78 -4.93 120.64 118.87 1ck1 n GLU 175 Ca -0.17 -3.65 -0.13 0.00 -0.02 0.00 0.00 57.16 53.19 1ck1 n GLU 175 Cb 0.52 1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 33.37 1ck1 n GLU 175 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ck1 h PHE 176 N 1.50 -0.25 0.10 -0.32 3.57 -1.95 -3.07 116.94 116.52 1ck1 h PHE 176 Ca -0.37 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 60.95 1ck1 h PHE 176 Cb 1.27 0.08 0.01 0.00 2.79 0.00 0.00 35.95 40.10 1ck1 h PHE 176 CO 0.00 0.07 -0.80 -0.91 -2.23 0.00 0.00 178.31 174.44 1ck1 h ASN 177 N -0.59 0.33 0.00 0.41 -0.26 -1.93 -1.32 115.58 112.21 1ck1 h ASN 177 Ca -0.03 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.80 1ck1 h ASN 177 Cb 0.43 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1ck1 h ASN 177 CO 0.05 1.37 0.00 -1.54 -1.06 0.00 0.00 177.43 176.24 1ck1 n SER 178 N -4.20 0.00 -3.79 5.81 3.41 -1.26 -3.75 113.62 109.84 1ck1 n SER 178 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1ck1 n SER 178 Cb 0.76 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.59 1ck1 n SER 178 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ck1 s SER 179 N 1.30 -0.21 0.50 4.04 0.15 -1.26 -1.87 113.70 116.34 1ck1 s SER 179 Ca 0.00 0.41 0.33 0.00 0.70 0.00 0.00 55.95 57.39 1ck1 s SER 179 Cb 0.00 0.38 1.61 0.00 -1.71 0.00 0.00 66.02 66.30 1ck1 s SER 179 CO 0.00 -0.09 2.01 -0.65 1.20 0.00 0.00 173.24 175.70 1ck1 h PRO 180 N 6.21 0.00 -5.89 5.44 0.11 -1.77 -3.43 132.00 132.67 1ck1 h PRO 180 Ca -0.30 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.16 1ck1 h PRO 180 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1ck1 h PRO 180 CO 0.39 0.00 -0.54 0.71 -0.21 0.00 0.00 178.00 178.34 1ck1 s TYR 181 N -3.74 3.40 -0.16 0.65 2.02 -1.26 -2.51 117.35 115.75 1ck1 s TYR 181 Ca -0.01 0.30 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 1ck1 s TYR 181 Cb 0.10 -1.80 -0.18 0.00 -0.40 0.00 0.00 41.96 39.68 1ck1 s TYR 181 CO 0.42 0.60 0.37 1.49 -1.57 0.00 0.00 175.55 176.86 1ck1 h GLU 182 N 4.27 0.00 -5.42 -0.62 4.57 -1.18 -3.42 114.58 112.79 1ck1 h GLU 182 Ca -0.50 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.20 1ck1 h GLU 182 Cb 1.19 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.64 1ck1 h GLU 182 CO 0.63 0.77 -0.67 0.95 -1.18 0.00 0.00 179.01 179.51 1ck1 s THR 183 N -2.19 1.51 -0.29 0.32 -4.23 -1.23 -0.84 115.64 108.70 1ck1 s THR 183 Ca -0.20 -2.10 -0.25 0.00 -1.18 0.00 0.00 61.69 57.96 1ck1 s THR 183 Cb 0.01 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.56 1ck1 s THR 183 CO 0.52 -0.28 1.30 -0.83 -0.54 0.00 0.00 174.62 174.79 1ck1 s GLY 184 N -3.43 0.18 -0.12 3.99 0.00 -1.26 -2.71 107.32 103.98 1ck1 s GLY 184 Ca 0.30 3.22 -0.13 0.00 0.00 0.00 0.00 44.72 48.11 1ck1 s GLY 184 CO 0.12 1.88 0.34 -2.52 0.00 0.00 0.00 173.10 172.92 1ck1 s TYR 185 N 0.06 -0.36 -0.28 1.90 1.13 -0.75 -0.97 117.35 118.08 1ck1 s TYR 185 Ca 0.06 0.85 -0.10 0.00 -1.41 0.00 0.00 57.07 56.47 1ck1 s TYR 185 Cb -0.05 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 1ck1 s TYR 185 CO -0.12 -0.21 0.15 -1.50 -2.51 0.00 0.00 175.55 171.35 1ck1 s ILE 186 N -0.01 4.79 -0.17 -3.49 2.07 -0.83 -1.41 121.20 122.15 1ck1 s ILE 186 Ca -0.02 -0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 59.03 1ck1 s ILE 186 Cb -0.03 -3.33 -0.03 0.00 0.13 0.00 0.00 42.46 39.19 1ck1 s ILE 186 CO 0.01 0.20 0.01 -0.75 -1.91 0.00 0.00 174.94 172.50 1ck1 s LYS 187 N 1.67 3.79 -0.15 3.50 2.20 0.51 -1.66 119.74 129.60 1ck1 s LYS 187 Ca 0.06 -0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1ck1 s LYS 187 Cb -0.16 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1ck1 s LYS 187 CO 0.07 0.22 0.04 -0.06 -0.36 0.00 0.00 175.35 175.27 1ck1 s PHE 188 N 0.46 3.24 -0.28 4.03 0.40 0.44 -0.93 117.98 125.33 1ck1 s PHE 188 Ca -0.00 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1ck1 s PHE 188 Cb -0.13 -1.97 0.08 0.00 0.51 0.00 0.00 43.02 41.50 1ck1 s PHE 188 CO 0.02 0.29 -0.00 0.42 0.70 0.00 0.00 175.22 176.64 1ck1 s ILE 189 N -0.13 1.64 0.47 0.64 1.01 0.01 -2.04 121.20 122.79 1ck1 s ILE 189 Ca 0.06 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 1ck1 s ILE 189 Cb -0.12 -2.02 -0.08 0.00 0.01 0.00 0.00 42.46 40.25 1ck1 s ILE 189 CO 0.01 -0.32 0.93 -1.61 0.00 0.00 0.00 174.94 173.96 1ck1 s GLU 190 N 1.30 3.97 0.00 2.79 2.02 0.43 -1.69 118.70 127.51 1ck1 s GLU 190 Ca 0.01 0.89 0.13 0.00 0.02 0.00 0.00 54.97 56.02 1ck1 s GLU 190 Cb -0.19 -2.20 0.60 0.00 0.10 0.00 0.00 34.13 32.45 1ck1 s GLU 190 CO -0.10 -0.18 1.39 -1.13 0.02 0.00 0.00 175.26 175.27 1ck1 n SER 191 N -1.33 0.00 -1.03 -0.19 3.41 -1.26 -1.75 113.62 111.47 1ck1 n SER 191 Ca 0.06 0.36 0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1ck1 n SER 191 Cb 0.54 -0.43 0.26 0.00 -0.26 0.00 0.00 64.21 64.33 1ck1 n SER 191 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ck1 n ASN 192 N -1.43 3.02 0.00 4.04 6.94 -1.26 -4.94 115.26 121.64 1ck1 n ASN 192 Ca 0.04 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1ck1 n ASN 192 Cb 0.14 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1ck1 n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ck1 n GLY 193 N 1.41 1.52 3.72 4.83 0.00 -0.72 -5.05 105.19 110.91 1ck1 n GLY 193 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ck1 n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ck1 s ASN 194 N -2.65 7.38 0.07 1.61 2.47 -1.26 -4.84 114.94 117.72 1ck1 s ASN 194 Ca 0.00 1.85 0.06 0.00 0.42 0.00 0.00 52.86 55.19 1ck1 s ASN 194 Cb 0.00 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 1ck1 s ASN 194 CO 0.00 -0.19 -0.15 0.42 -3.72 0.00 0.00 177.10 173.46 1ck1 s THR 195 N 0.30 1.21 0.11 -5.21 -4.23 -1.26 -0.43 115.64 106.13 1ck1 s THR 195 Ca 0.50 -1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 59.44 1ck1 s THR 195 Cb -0.25 -1.15 0.07 0.00 1.34 0.00 0.00 72.50 72.52 1ck1 s THR 195 CO 0.30 -0.18 0.62 0.72 -0.54 0.00 0.00 174.62 175.55 1ck1 s PHE 196 N -1.22 -0.57 0.14 3.99 -0.71 -0.87 -2.26 117.98 116.49 1ck1 s PHE 196 Ca -0.00 0.52 -0.00 0.00 -1.04 0.00 0.00 56.93 56.40 1ck1 s PHE 196 Cb -0.10 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1ck1 s PHE 196 CO 0.02 -0.79 0.03 1.67 -1.34 0.00 0.00 175.22 174.81 1ck1 s TRP 197 N -3.15 0.95 0.02 3.49 1.48 -1.26 -0.42 118.94 120.05 1ck1 s TRP 197 Ca -0.02 -1.15 0.05 0.00 -1.06 0.00 0.00 56.10 53.92 1ck1 s TRP 197 Cb -0.01 -0.55 -0.02 0.00 -1.16 0.00 0.00 33.47 31.74 1ck1 s TRP 197 CO -0.08 -0.40 -0.15 0.71 -4.06 0.00 0.00 176.95 172.97 1ck1 s TYR 198 N -3.90 1.33 -0.14 1.66 2.02 -0.67 -4.97 117.35 112.68 1ck1 s TYR 198 Ca 0.23 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.35 1ck1 s TYR 198 Cb 0.07 -0.82 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1ck1 s TYR 198 CO 0.01 0.02 0.89 0.34 -1.57 0.00 0.00 175.55 175.24 1ck1 s ASP 199 N -0.81 7.07 0.10 2.29 -1.08 -1.26 -1.97 116.67 121.00 1ck1 s ASP 199 Ca 0.04 1.31 0.26 0.00 -0.52 0.00 0.00 52.55 53.65 1ck1 s ASP 199 Cb -0.07 -2.49 0.77 0.00 -1.46 0.00 0.00 42.92 39.67 1ck1 s ASP 199 CO 0.01 -0.39 1.65 0.23 0.52 0.00 0.00 175.17 177.18 1ck1 n MET 200 N 5.02 0.15 -3.95 4.34 2.81 -0.14 -4.91 117.12 120.44 1ck1 n MET 200 Ca 0.06 0.09 -0.30 0.00 -1.81 0.00 0.00 57.70 55.74 1ck1 n MET 200 Cb 0.49 -1.64 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1ck1 n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1ck1 s MET 201 N -3.07 3.32 0.55 0.03 -1.94 -1.26 -5.00 119.30 111.93 1ck1 s MET 201 Ca 0.11 -0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 53.37 1ck1 s MET 201 Cb 0.15 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.98 1ck1 s MET 201 CO 0.62 0.58 1.07 -1.25 -0.01 0.00 0.00 175.02 176.03 1ck1 s PRO 202 N -2.65 3.48 0.74 2.03 0.04 -1.26 -4.83 135.00 132.54 1ck1 s PRO 202 Ca 0.34 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1ck1 s PRO 202 Cb -0.12 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1ck1 s PRO 202 CO 0.27 -0.70 1.20 0.00 0.04 0.00 0.00 177.00 177.80 1ck1 s ALA 203 N -2.14 2.11 0.60 8.56 0.00 -1.26 -4.70 121.76 124.92 1ck1 s ALA 203 Ca 0.67 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 53.27 1ck1 s ALA 203 Cb -0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1ck1 s ALA 203 CO 0.29 -1.88 1.29 -1.25 0.00 0.00 0.00 175.76 174.21 1ck1 s PRO 204 N -3.97 2.87 0.00 0.00 0.04 -1.26 -4.70 135.00 127.98 1ck1 s PRO 204 Ca 0.73 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1ck1 s PRO 204 Cb -0.28 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ck1 s PRO 204 CO 0.46 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1ck1 n GLY 205 N 0.75 0.89 0.40 0.56 0.00 -0.79 -4.87 105.19 102.13 1ck1 n GLY 205 Ca 0.13 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1ck1 n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ck1 n ASP 206 N 1.53 1.80 -4.43 1.61 5.75 -1.26 0.21 116.55 121.75 1ck1 n ASP 206 Ca 0.00 -1.39 -0.30 0.00 -0.01 0.00 0.00 54.79 53.09 1ck1 n ASP 206 Cb 0.00 0.54 -0.13 0.00 -1.03 0.00 0.00 41.12 40.50 1ck1 n ASP 206 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1ck1 s LYS 207 N -2.57 1.94 -0.17 0.11 0.00 -1.26 -3.96 119.74 113.82 1ck1 s LYS 207 Ca 0.17 -1.05 0.01 0.00 0.00 0.00 0.00 55.97 55.10 1ck1 s LYS 207 Cb 0.18 -2.11 0.02 0.00 0.00 0.00 0.00 37.83 35.92 1ck1 s LYS 207 CO 0.62 0.52 -0.17 0.12 0.00 0.00 0.00 175.35 176.44 1ck1 s PHE 208 N -0.92 2.56 -0.46 1.78 5.36 -1.26 -4.93 117.98 120.11 1ck1 s PHE 208 Ca 0.14 -1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 54.46 1ck1 s PHE 208 Cb -0.10 -1.79 0.07 0.00 -0.34 0.00 0.00 43.02 40.85 1ck1 s PHE 208 CO 0.05 -0.76 0.36 0.34 -1.46 0.00 0.00 175.22 173.75 1ck1 s ASP 209 N 1.36 6.03 0.19 6.13 -1.08 -1.26 -4.96 116.67 123.08 1ck1 s ASP 209 Ca 0.04 -1.35 -0.11 0.00 -0.52 0.00 0.00 52.55 50.62 1ck1 s ASP 209 Cb -0.13 -2.14 0.12 0.00 -1.46 0.00 0.00 42.92 39.30 1ck1 s ASP 209 CO -0.12 -0.62 1.78 1.56 0.52 0.00 0.00 175.17 178.30 1ck1 h GLN 210 N 8.68 0.99 0.00 4.34 4.20 -1.93 -1.95 115.11 129.43 1ck1 h GLN 210 Ca -0.27 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 1ck1 h GLN 210 Cb 1.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1ck1 h GLN 210 CO 0.85 0.78 -0.44 0.66 -0.67 0.00 0.00 178.83 180.01 1ck1 h SER 211 N 0.96 0.00 0.10 1.46 4.64 -1.93 -2.00 113.55 116.77 1ck1 h SER 211 Ca 0.24 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.27 1ck1 h SER 211 Cb 0.11 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1ck1 h SER 211 CO -0.03 0.44 -1.16 0.50 -0.87 0.00 0.00 176.83 175.71 1ck1 h LYS 212 N 0.00 0.64 -0.54 4.77 3.64 -1.94 -3.31 116.57 119.83 1ck1 h LYS 212 Ca -0.00 -0.79 -0.11 0.00 -1.27 0.00 0.00 60.65 58.48 1ck1 h LYS 212 Cb 0.81 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1ck1 h LYS 212 CO 0.06 1.35 -0.10 -0.92 -2.27 0.00 0.00 179.45 177.57 1ck1 h TYR 213 N 0.32 1.14 0.00 1.91 3.20 -1.24 -3.04 116.97 119.27 1ck1 h TYR 213 Ca -0.16 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1ck1 h TYR 213 Cb 1.82 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1ck1 h TYR 213 CO 0.11 1.06 0.00 1.28 -1.64 0.00 0.00 178.16 178.96 1ck1 n LEU 214 N -4.16 0.00 0.07 2.82 4.77 -0.76 -3.45 117.00 116.28 1ck1 n LEU 214 Ca 0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1ck1 n LEU 214 Cb 0.40 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.87 1ck1 n LEU 214 CO 0.45 0.00 0.77 0.23 -1.33 0.00 0.00 177.39 177.51 1ck1 n MET 215 N -0.91 0.10 0.22 3.23 2.81 -1.15 -2.50 117.12 118.92 1ck1 n MET 215 Ca 0.14 0.39 0.15 0.00 -1.81 0.00 0.00 57.70 56.57 1ck1 n MET 215 Cb 0.06 -1.71 0.73 0.00 -0.71 0.00 0.00 33.22 31.60 1ck1 n MET 215 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1ck1 h ILE 216 N 0.00 0.00 -0.02 2.02 3.07 -1.82 -2.13 117.51 118.63 1ck1 h ILE 216 Ca 0.00 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.25 1ck1 h ILE 216 Cb 0.25 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 1ck1 h ILE 216 CO 0.00 0.00 -0.36 -1.22 -1.05 0.00 0.00 178.15 175.52 1ck1 n TYR 217 N -2.61 0.00 -0.26 0.16 4.01 -1.04 -4.52 117.16 112.89 1ck1 n TYR 217 Ca -0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 1ck1 n TYR 217 Cb 0.15 -0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.66 1ck1 n TYR 217 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ck1 h LYS 218 N 2.97 0.44 0.00 -0.72 3.64 -1.55 -1.81 116.57 119.54 1ck1 h LYS 218 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ck1 h LYS 218 Cb 0.81 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ck1 h LYS 218 CO 0.00 0.29 0.00 -0.40 -2.27 0.00 0.00 179.45 177.07 1ck1 n ASP 219 N -4.55 0.00 -2.97 4.20 5.75 -1.26 -1.34 116.55 116.38 1ck1 n ASP 219 Ca 0.20 0.04 -0.21 0.00 -0.01 0.00 0.00 54.79 54.81 1ck1 n ASP 219 Cb 0.69 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1ck1 n ASP 219 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ck1 n ASN 220 N -1.30 -5.00 -4.66 -1.12 5.15 -0.68 -4.90 115.26 102.74 1ck1 n ASN 220 Ca 0.09 -0.21 -0.46 0.00 -0.60 0.00 0.00 54.58 53.40 1ck1 n ASN 220 Cb 0.17 -4.11 -0.03 0.00 -0.53 0.00 0.00 39.78 35.28 1ck1 n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1ck1 n LYS 221 N -3.64 2.01 -4.39 1.20 3.00 -1.26 -4.89 118.16 110.19 1ck1 n LYS 221 Ca -0.10 0.72 -0.25 0.00 -0.00 0.00 0.00 58.31 58.67 1ck1 n LYS 221 Cb 0.60 -2.42 -0.12 0.00 0.00 0.00 0.00 35.03 33.10 1ck1 n LYS 221 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1ck1 s MET 222 N 0.14 1.44 0.06 1.64 -1.94 -1.26 -0.42 119.30 118.97 1ck1 s MET 222 Ca 0.73 -1.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.24 1ck1 s MET 222 Cb -0.68 -1.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 1ck1 s MET 222 CO 0.45 0.36 -0.07 0.14 -0.01 0.00 0.00 175.02 175.89 1ck1 s VAL 223 N -1.77 0.55 -0.50 -6.03 -7.23 0.57 -4.85 120.40 101.15 1ck1 s VAL 223 Ca 0.19 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 1ck1 s VAL 223 Cb -0.07 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.79 1ck1 s VAL 223 CO 0.09 -0.64 1.13 -0.62 -0.31 0.00 0.00 175.10 174.74 1ck1 s ASP 224 N -2.28 6.58 0.42 4.85 2.15 -1.26 -1.89 116.67 125.23 1ck1 s ASP 224 Ca -0.00 0.36 0.15 0.00 0.43 0.00 0.00 52.55 53.49 1ck1 s ASP 224 Cb -0.02 -2.54 1.03 0.00 -0.30 0.00 0.00 42.92 41.09 1ck1 s ASP 224 CO -0.03 -1.28 1.90 0.77 -0.17 0.00 0.00 175.17 176.36 1ck1 h SER 225 N 9.28 0.43 0.08 -0.34 4.64 -1.50 -1.37 113.55 124.77 1ck1 h SER 225 Ca -0.23 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 1ck1 h SER 225 Cb 1.06 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1ck1 h SER 225 CO 1.13 0.21 -0.48 0.11 -0.87 0.00 0.00 176.83 176.93 1ck1 h LYS 226 N 0.45 0.46 0.00 4.77 1.57 -1.90 -3.37 116.57 118.55 1ck1 h LYS 226 Ca 0.40 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1ck1 h LYS 226 Cb 0.91 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ck1 h LYS 226 CO -0.14 0.84 -0.70 -1.13 -0.57 0.00 0.00 179.45 177.75 1ck1 n SER 227 N -3.98 0.92 -4.76 0.86 3.41 -1.03 -5.03 113.62 104.00 1ck1 n SER 227 Ca -0.02 -0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 57.62 1ck1 n SER 227 Cb 0.55 1.10 0.01 0.00 -0.26 0.00 0.00 64.21 65.61 1ck1 n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ck1 s VAL 228 N -2.14 2.66 -0.03 -3.33 0.11 -0.54 -4.48 120.40 112.65 1ck1 s VAL 228 Ca 0.02 0.52 0.05 0.00 -2.93 0.00 0.00 61.98 59.64 1ck1 s VAL 228 Cb 0.08 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 1ck1 s VAL 228 CO 0.43 0.01 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.51 1ck1 s LYS 229 N -2.67 2.37 -0.04 1.54 1.02 -0.68 -4.83 119.74 116.45 1ck1 s LYS 229 Ca 0.65 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.89 1ck1 s LYS 229 Cb -0.35 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1ck1 s LYS 229 CO 0.42 0.60 -0.12 0.42 -0.92 0.00 0.00 175.35 175.75 1ck1 s ILE 230 N -0.74 1.02 -0.06 2.17 1.01 -1.25 -0.81 121.20 122.53 1ck1 s ILE 230 Ca 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1ck1 s ILE 230 Cb -0.10 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1ck1 s ILE 230 CO 0.01 0.31 -0.07 -1.61 0.00 0.00 0.00 174.94 173.59 1ck1 s GLU 231 N 0.27 1.14 -0.26 2.79 2.02 -0.11 -1.98 118.70 122.57 1ck1 s GLU 231 Ca -0.06 -0.19 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 1ck1 s GLU 231 Cb -0.11 -1.10 -0.03 0.00 0.10 0.00 0.00 34.13 33.00 1ck1 s GLU 231 CO 0.02 -0.09 0.08 0.08 0.02 0.00 0.00 175.26 175.36 1ck1 s VAL 232 N 1.03 4.37 -0.28 2.63 1.01 -0.03 -0.36 120.40 128.76 1ck1 s VAL 232 Ca -0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1ck1 s VAL 232 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1ck1 s VAL 232 CO -0.00 0.31 0.05 -1.00 0.00 0.00 0.00 175.10 174.46 1ck1 s HIS 233 N 1.62 3.12 0.17 5.22 3.76 -0.50 -0.28 115.29 128.40 1ck1 s HIS 233 Ca 0.06 -1.04 0.10 0.00 -0.15 0.00 0.00 55.06 54.04 1ck1 s HIS 233 Cb -0.15 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 1ck1 s HIS 233 CO 0.04 -0.59 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.62 1ck1 s LEU 234 N 1.48 2.42 -0.06 0.89 1.43 0.47 -1.80 118.68 123.51 1ck1 s LEU 234 Ca 0.03 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1ck1 s LEU 234 Cb -0.17 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1ck1 s LEU 234 CO 0.01 0.06 -0.04 0.42 0.23 0.00 0.00 176.35 177.03 1ck1 s THR 235 N -1.75 0.55 0.63 5.49 -4.23 -1.10 -0.86 115.64 114.36 1ck1 s THR 235 Ca 0.18 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.44 1ck1 s THR 235 Cb -0.07 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.15 1ck1 s THR 235 CO 0.08 0.25 1.11 0.42 -0.54 0.00 0.00 174.62 175.94 1ck1 s THR 236 N 1.20 3.28 0.43 3.99 -4.23 -1.26 -0.77 115.64 118.28 1ck1 s THR 236 Ca -0.06 0.64 0.31 0.00 -1.18 0.00 0.00 61.69 61.39 1ck1 s THR 236 Cb -0.14 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.86 1ck1 s THR 236 CO -0.02 -0.33 2.12 0.11 -0.54 0.00 0.00 174.62 175.96 1ck1 h LYS 237 N 0.33 0.00 0.00 3.99 1.57 -1.79 -3.37 116.57 117.29 1ck1 h LYS 237 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ck1 h LYS 237 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ck1 h LYS 237 CO 0.55 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.60 1ck1 n ASN 238 N -3.52 0.00 0.00 0.86 3.02 -1.26 -4.98 115.26 109.38 1ck1 n ASN 238 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1ck1 n ASN 238 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1ck1 n ASN 238 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25