#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck0 s ILE 2 N 0.00 3.43 -0.19 5.18 1.01 -1.26 -4.99 121.20 124.38 1ck0 s ILE 2 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 1ck0 s ILE 2 Cb 0.00 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1ck0 s ILE 2 CO 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 174.94 174.81 1ck0 s GLN 3 N 2.87 3.25 0.11 2.79 1.03 -1.26 -4.88 119.66 123.58 1ck0 s GLN 3 Ca 0.70 -0.71 -0.10 0.00 0.04 0.00 0.00 55.36 55.29 1ck0 s GLN 3 Cb -0.35 -2.78 -0.06 0.00 0.03 0.00 0.00 33.01 29.85 1ck0 s GLN 3 CO 0.29 -0.10 0.43 -0.51 -2.54 0.00 0.00 175.29 172.86 1ck0 s LEU 4 N 1.15 4.32 -0.04 2.60 1.43 -1.26 -2.51 118.68 124.38 1ck0 s LEU 4 Ca 0.01 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 1ck0 s LEU 4 Cb -0.14 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.95 1ck0 s LEU 4 CO -0.04 0.13 -0.14 0.42 0.23 0.00 0.00 176.35 176.95 1ck0 s THR 5 N -1.47 1.17 0.22 5.49 -4.23 0.54 -4.40 115.64 112.96 1ck0 s THR 5 Ca 0.36 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1ck0 s THR 5 Cb -0.14 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1ck0 s THR 5 CO 0.19 0.35 0.02 -1.10 -0.54 0.00 0.00 174.62 173.53 1ck0 s GLN 6 N 0.10 2.40 -0.20 3.99 -0.21 -1.26 -0.69 119.66 123.79 1ck0 s GLN 6 Ca -0.03 -1.23 -0.27 0.00 0.02 0.00 0.00 55.36 53.84 1ck0 s GLN 6 Cb -0.10 -2.30 0.09 0.00 1.00 0.00 0.00 33.01 31.70 1ck0 s GLN 6 CO 0.01 0.41 0.81 -1.54 -2.12 0.00 0.00 175.29 172.87 1ck0 s SER 7 N -3.32 -0.62 1.01 5.90 1.04 -0.69 -4.54 113.70 112.48 1ck0 s SER 7 Ca 0.29 1.01 -0.14 0.00 0.48 0.00 0.00 55.95 57.59 1ck0 s SER 7 Cb -0.08 0.96 0.19 0.00 0.10 0.00 0.00 66.02 67.19 1ck0 s SER 7 CO 0.20 -0.33 1.14 -2.16 0.98 0.00 0.00 173.24 173.07 1ck0 s PRO 8 N -0.24 0.35 0.44 4.02 0.04 -1.26 -0.36 135.00 137.99 1ck0 s PRO 8 Ca -0.02 0.16 0.24 0.00 0.04 0.00 0.00 61.00 61.42 1ck0 s PRO 8 Cb -0.03 -1.76 0.70 0.00 0.04 0.00 0.00 34.50 33.45 1ck0 s PRO 8 CO 0.02 -2.71 1.73 0.77 0.04 0.00 0.00 177.00 176.85 1ck0 h SER 9 N -1.86 0.00 -5.12 6.66 0.02 -1.86 -3.42 113.55 107.97 1ck0 h SER 9 Ca -0.49 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 1ck0 h SER 9 Cb 1.31 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.71 1ck0 h SER 9 CO 0.52 0.15 -0.30 -0.55 -1.14 0.00 0.00 176.83 175.51 1ck0 s SER 10 N -6.13 0.01 0.04 3.07 0.15 -1.26 -1.20 113.70 108.38 1ck0 s SER 10 Ca 0.03 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.07 1ck0 s SER 10 Cb 0.08 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1ck0 s SER 10 CO 0.64 -0.72 0.27 -0.76 1.20 0.00 0.00 173.24 173.88 1ck0 s LEU 11 N -2.65 1.01 -0.22 3.45 1.43 -0.51 -4.89 118.68 116.30 1ck0 s LEU 11 Ca 0.02 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1ck0 s LEU 11 Cb 0.03 1.25 0.09 0.00 0.03 0.00 0.00 46.19 47.59 1ck0 s LEU 11 CO -0.09 -0.60 0.19 0.00 0.23 0.00 0.00 176.35 176.07 1ck0 s ALA 12 N -2.59 0.00 0.30 4.21 0.00 -1.26 -0.97 121.76 121.46 1ck0 s ALA 12 Ca -0.05 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.82 1ck0 s ALA 12 Cb -0.01 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1ck0 s ALA 12 CO -0.04 -1.34 -0.06 0.14 0.00 0.00 0.00 175.76 174.47 1ck0 s VAL 13 N 2.25 1.75 0.40 0.00 -7.23 -0.83 -4.70 120.40 112.04 1ck0 s VAL 13 Ca 0.06 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1ck0 s VAL 13 Cb -0.16 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1ck0 s VAL 13 CO -0.18 -0.26 0.63 -0.44 -0.31 0.00 0.00 175.10 174.54 1ck0 s SER 14 N -3.48 6.16 0.41 4.85 0.01 -1.26 -0.09 113.70 120.30 1ck0 s SER 14 Ca 0.31 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 57.80 1ck0 s SER 14 Cb 0.04 -1.94 -0.09 0.00 0.21 0.00 0.00 66.02 64.24 1ck0 s SER 14 CO 0.13 -0.46 1.39 0.00 0.41 0.00 0.00 173.24 174.71 1ck0 s ALA 15 N -2.46 3.33 0.00 1.44 0.00 -1.26 -2.27 121.76 120.54 1ck0 s ALA 15 Ca 0.43 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1ck0 s ALA 15 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1ck0 s ALA 15 CO 0.38 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1ck0 n GLY 16 N 0.60 2.90 3.75 0.00 0.00 -0.59 -4.95 105.19 106.92 1ck0 n GLY 16 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ck0 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ck0 s GLU 17 N -0.13 1.55 0.00 1.61 0.41 -0.96 -4.05 118.70 117.13 1ck0 s GLU 17 Ca 0.00 0.73 0.03 0.00 -0.41 0.00 0.00 54.97 55.31 1ck0 s GLU 17 Cb 0.00 -1.85 -0.03 0.00 -1.78 0.00 0.00 34.13 30.47 1ck0 s GLU 17 CO 0.00 -2.01 -0.05 0.21 -0.49 0.00 0.00 175.26 172.92 1ck0 s LYS 18 N -5.03 2.61 0.10 1.61 2.20 -1.26 -1.81 119.74 118.16 1ck0 s LYS 18 Ca 0.62 -0.69 0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1ck0 s LYS 18 Cb -0.16 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 1ck0 s LYS 18 CO 0.56 0.61 -0.11 0.54 -0.36 0.00 0.00 175.35 176.59 1ck0 s VAL 19 N -1.02 0.98 -0.08 4.02 0.11 -0.27 -5.00 120.40 119.13 1ck0 s VAL 19 Ca 0.18 -1.60 -0.03 0.00 -2.93 0.00 0.00 61.98 57.60 1ck0 s VAL 19 Cb -0.11 -1.33 0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1ck0 s VAL 19 CO 0.08 -0.51 0.11 -0.89 -3.33 0.00 0.00 175.10 170.56 1ck0 s THR 20 N -2.28 -0.18 0.29 5.04 2.01 -1.26 -1.75 115.64 117.50 1ck0 s THR 20 Ca 0.05 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.44 1ck0 s THR 20 Cb -0.04 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1ck0 s THR 20 CO 0.01 0.09 0.03 0.00 -0.69 0.00 0.00 174.62 174.05 1ck0 s MET 21 N 2.23 2.30 0.23 4.92 0.23 -0.88 -4.86 119.30 123.48 1ck0 s MET 21 Ca 0.04 -1.46 0.08 0.00 -1.03 0.00 0.00 55.69 53.32 1ck0 s MET 21 Cb -0.13 -2.15 -0.05 0.00 -1.53 0.00 0.00 34.83 30.97 1ck0 s MET 21 CO -0.05 0.30 -0.13 -0.80 -2.03 0.00 0.00 175.02 172.31 1ck0 s ASN 22 N -3.71 2.74 -0.12 -1.18 0.01 0.52 -1.75 114.94 111.44 1ck0 s ASN 22 Ca 0.33 -1.07 -0.04 0.00 -0.71 0.00 0.00 52.86 51.38 1ck0 s ASN 22 Cb -0.05 -0.16 0.06 0.00 0.41 0.00 0.00 41.25 41.50 1ck0 s ASN 22 CO 0.20 -0.19 0.13 0.00 -1.51 0.00 0.00 177.10 175.73 1ck0 s LYS 24 N 2.22 3.35 -0.00 0.00 2.47 0.14 -1.69 119.74 126.23 1ck0 s LYS 24 Ca 0.04 -0.42 0.01 0.00 -1.56 0.00 0.00 55.97 54.04 1ck0 s LYS 24 Cb -0.14 -2.91 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 1ck0 s LYS 24 CO -0.07 0.51 0.02 0.45 0.16 0.00 0.00 175.35 176.42 1ck0 s SER 25 N -0.34 5.27 0.42 1.43 0.15 0.55 -0.34 113.70 120.83 1ck0 s SER 25 Ca 0.07 0.03 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1ck0 s SER 25 Cb -0.12 -1.42 0.45 0.00 -1.71 0.00 0.00 66.02 63.22 1ck0 s SER 25 CO 0.02 0.28 1.64 0.77 1.20 0.00 0.00 173.24 177.15 1ck0 h SER 26 N 4.29 0.00 -4.48 5.45 4.64 -1.82 -3.46 113.55 118.18 1ck0 h SER 26 Ca -0.49 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.43 1ck0 h SER 26 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 1ck0 h SER 26 CO 0.59 0.14 -0.78 -1.10 -0.87 0.00 0.00 176.83 174.81 1ck0 s GLN 27 N -3.25 0.81 0.07 4.77 -0.21 -1.26 -4.99 119.66 115.61 1ck0 s GLN 27 Ca 0.05 -0.96 -0.31 0.00 0.02 0.00 0.00 55.36 54.16 1ck0 s GLN 27 Cb 0.07 -0.80 -0.08 0.00 1.00 0.00 0.00 33.01 33.20 1ck0 s GLN 27 CO 0.67 0.17 1.56 1.21 -2.12 0.00 0.00 175.29 176.78 1ck0 s ASN 28 N -1.77 6.68 0.00 5.90 3.84 -1.26 -4.71 114.94 123.61 1ck0 s ASN 28 Ca -0.02 2.41 0.22 0.00 0.21 0.00 0.00 52.86 55.68 1ck0 s ASN 28 Cb -0.10 -2.57 -0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1ck0 s ASN 28 CO 0.02 -0.82 1.06 0.18 -2.79 0.00 0.00 177.10 174.76 1ck0 n LEU 29 N 5.13 1.02 -4.62 3.21 4.77 -0.50 -4.89 117.00 121.11 1ck0 n LEU 29 Ca 0.14 -0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 1ck0 n LEU 29 Cb 0.41 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1ck0 n LEU 29 CO 0.61 0.24 1.12 -0.22 -1.33 0.00 0.00 177.39 177.81 1ck0 s LEU 30 N -2.92 3.80 -0.30 2.23 2.96 -1.26 -2.27 118.68 120.92 1ck0 s LEU 30 Ca 0.11 1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.75 1ck0 s LEU 30 Cb 0.17 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1ck0 s LEU 30 CO 0.78 -1.15 1.27 -2.28 -1.32 0.00 0.00 176.35 173.65 1ck0 s HIS 31 N 4.53 2.74 0.31 5.38 5.65 -0.21 -4.94 115.29 128.73 1ck0 s HIS 31 Ca 0.55 0.90 0.06 0.00 0.25 0.00 0.00 55.06 56.82 1ck0 s HIS 31 Cb -0.14 -3.88 0.73 0.00 -1.18 0.00 0.00 32.58 28.10 1ck0 s HIS 31 CO 0.25 -1.61 1.79 0.66 -0.65 0.00 0.00 174.74 175.18 1ck0 h SER 31 N 9.13 0.79 0.22 9.88 4.64 -1.93 0.40 113.55 136.68 1ck0 h SER 31 Ca -0.26 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1ck0 h SER 31 Cb 1.09 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1ck0 h SER 31 CO 1.03 0.31 -0.11 0.40 -0.87 0.00 0.00 176.83 177.59 1ck0 h ILE 31 N 0.79 0.00 0.00 0.95 1.08 -1.97 -3.34 117.51 115.01 1ck0 h ILE 31 Ca 0.56 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1ck0 h ILE 31 Cb 0.85 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1ck0 h ILE 31 CO -0.35 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.46 1ck0 n THR 31 N -4.25 0.75 -1.15 -0.27 -2.24 -1.22 -4.89 114.28 101.01 1ck0 n THR 31 Ca -0.04 0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1ck0 n THR 31 Cb 0.12 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 67.34 1ck0 n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ck0 n ARG 31 N -2.28 -1.31 -3.53 -0.78 5.12 0.14 -4.98 116.66 109.04 1ck0 n ARG 31 Ca 0.03 0.60 -0.36 0.00 -1.93 0.00 0.00 57.85 56.19 1ck0 n ARG 31 Cb 0.30 -4.70 -0.06 0.00 -1.16 0.00 0.00 32.46 26.84 1ck0 n ARG 31 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1ck0 s LYS 31 N -2.09 3.84 -0.39 5.56 1.02 -1.24 -4.80 119.74 121.65 1ck0 s LYS 31 Ca 0.00 0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.11 1ck0 s LYS 31 Cb 0.00 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1ck0 s LYS 31 CO 0.00 0.61 0.49 -0.80 -0.92 0.00 0.00 175.35 174.73 1ck0 s ASN 31 N -1.48 6.26 -1.52 2.83 0.01 -1.26 -1.05 114.94 118.73 1ck0 s ASN 31 Ca 0.30 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 52.02 1ck0 s ASN 31 Cb -0.15 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.25 1ck0 s ASN 31 CO 0.16 -0.55 2.52 -1.22 -1.51 0.00 0.00 177.10 176.51 1ck0 n TYR 32 N 5.75 3.09 -4.38 2.20 4.02 -0.96 -2.94 117.16 123.93 1ck0 n TYR 32 Ca -0.06 -3.02 -0.22 0.00 -0.01 0.00 0.00 57.90 54.59 1ck0 n TYR 32 Cb 0.48 -2.53 -0.16 0.00 -0.02 0.00 0.00 39.34 37.12 1ck0 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1ck0 s LEU 33 N 1.35 1.56 0.36 7.72 2.96 -1.26 -0.75 118.68 130.62 1ck0 s LEU 33 Ca 0.56 -0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 1ck0 s LEU 33 Cb 0.16 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 46.17 1ck0 s LEU 33 CO -0.08 0.01 -0.03 0.00 -1.32 0.00 0.00 176.35 174.93 1ck0 s ALA 34 N 0.64 3.09 -0.03 5.97 0.00 0.74 -0.58 121.76 131.59 1ck0 s ALA 34 Ca -0.11 -2.13 0.02 0.00 0.00 0.00 0.00 51.96 49.74 1ck0 s ALA 34 Cb -0.14 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ck0 s ALA 34 CO 0.02 0.01 -0.07 -1.58 0.00 0.00 0.00 175.76 174.14 1ck0 s TRP 35 N -2.62 0.85 0.23 0.00 0.52 0.02 -0.36 118.94 117.58 1ck0 s TRP 35 Ca 0.34 -0.23 0.03 0.00 0.02 0.00 0.00 56.10 56.26 1ck0 s TRP 35 Cb 0.04 -0.66 -0.05 0.00 -1.15 0.00 0.00 33.47 31.65 1ck0 s TRP 35 CO 0.18 -0.14 0.01 0.71 0.02 0.00 0.00 176.95 177.72 1ck0 s TYR 36 N 0.52 1.54 0.01 -1.98 1.51 0.97 -0.90 117.35 119.02 1ck0 s TYR 36 Ca -0.08 -0.95 -0.07 0.00 -1.01 0.00 0.00 57.07 54.97 1ck0 s TYR 36 Cb -0.11 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1ck0 s TYR 36 CO 0.01 -0.08 0.12 -0.98 -1.11 0.00 0.00 175.55 173.51 1ck0 s ARG 37 N -3.88 0.48 -0.16 -0.62 1.70 -0.47 -0.64 118.95 115.35 1ck0 s ARG 37 Ca 0.29 -0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1ck0 s ARG 37 Cb 0.06 0.20 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1ck0 s ARG 37 CO 0.09 -0.11 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.01 1ck0 s GLN 38 N -1.48 1.35 0.51 3.89 0.74 -0.74 -0.19 119.66 123.75 1ck0 s GLN 38 Ca -0.14 -0.48 -0.19 0.00 0.05 0.00 0.00 55.36 54.59 1ck0 s GLN 38 Cb -0.07 -1.97 -0.07 0.00 1.10 0.00 0.00 33.01 32.00 1ck0 s GLN 38 CO 0.01 -0.44 1.04 0.15 -0.55 0.00 0.00 175.29 175.50 1ck0 s LYS 39 N 1.66 3.70 -0.21 1.67 -0.14 -1.26 -2.39 119.74 122.77 1ck0 s LYS 39 Ca 0.01 1.29 -0.36 0.00 -1.36 0.00 0.00 55.97 55.55 1ck0 s LYS 39 Cb -0.15 -2.08 -0.12 0.00 -1.68 0.00 0.00 37.83 33.79 1ck0 s LYS 39 CO -0.08 -0.50 1.95 -2.30 -0.76 0.00 0.00 175.35 173.66 1ck0 n PRO 40 N -1.26 1.66 -1.82 -1.68 -0.02 -1.26 -1.06 135.00 129.55 1ck0 n PRO 40 Ca 0.09 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1ck0 n PRO 40 Cb 0.53 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1ck0 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ck0 n GLY 41 N 4.97 0.34 3.25 -1.23 0.00 -1.26 -5.04 105.19 106.21 1ck0 n GLY 41 Ca 0.29 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1ck0 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ck0 s GLN 42 N -3.70 1.13 0.52 1.61 -0.21 -0.23 -5.15 119.66 113.62 1ck0 s GLN 42 Ca 0.00 -1.54 -0.17 0.00 0.02 0.00 0.00 55.36 53.67 1ck0 s GLN 42 Cb 0.00 -0.37 -0.08 0.00 1.00 0.00 0.00 33.01 33.56 1ck0 s GLN 42 CO 0.00 -0.09 1.00 -1.12 -2.12 0.00 0.00 175.29 172.96 1ck0 s SER 43 N -3.19 6.51 0.39 5.90 0.01 -1.26 -4.49 113.70 117.57 1ck0 s SER 43 Ca 0.23 1.64 -0.27 0.00 1.31 0.00 0.00 55.95 58.86 1ck0 s SER 43 Cb 0.05 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 1ck0 s SER 43 CO 0.04 -0.66 1.40 -2.84 0.41 0.00 0.00 173.24 171.59 1ck0 s PRO 44 N -3.92 4.03 -0.02 12.44 0.02 -1.26 -4.60 135.00 141.70 1ck0 s PRO 44 Ca 0.60 2.39 0.07 0.00 0.02 0.00 0.00 61.00 64.08 1ck0 s PRO 44 Cb -0.11 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 1ck0 s PRO 44 CO 0.29 -0.52 -0.21 0.21 -0.33 0.00 0.00 177.00 176.44 1ck0 s LYS 45 N -2.15 2.21 0.19 5.54 2.20 0.74 -4.92 119.74 123.55 1ck0 s LYS 45 Ca 0.55 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1ck0 s LYS 45 Cb -0.43 -2.16 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 1ck0 s LYS 45 CO 0.57 0.58 1.11 -1.17 -0.36 0.00 0.00 175.35 176.07 1ck0 s LEU 46 N -0.79 4.49 -0.05 5.43 1.98 -1.26 -1.37 118.68 127.10 1ck0 s LEU 46 Ca 0.11 2.12 -0.00 0.00 -2.89 0.00 0.00 54.13 53.46 1ck0 s LEU 46 Cb -0.10 -3.61 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 1ck0 s LEU 46 CO 0.00 -0.22 -0.05 0.18 -1.89 0.00 0.00 176.35 174.37 1ck0 n LEU 47 N 2.28 2.26 -3.69 -0.68 4.77 -0.08 -4.78 117.00 117.08 1ck0 n LEU 47 Ca 0.02 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1ck0 n LEU 47 Cb 0.46 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1ck0 n LEU 47 CO 0.54 0.45 0.17 -0.63 -1.33 0.00 0.00 177.39 176.59 1ck0 s ILE 48 N -2.10 0.02 0.07 -0.08 1.01 -0.97 -1.43 121.20 117.72 1ck0 s ILE 48 Ca -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1ck0 s ILE 48 Cb 0.02 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ck0 s ILE 48 CO 0.11 -0.09 -0.05 -0.72 0.00 0.00 0.00 174.94 174.19 1ck0 s TYR 49 N -0.61 0.71 -1.35 3.97 1.13 0.15 -0.80 117.35 120.55 1ck0 s TYR 49 Ca -0.07 -0.93 -0.07 0.00 -1.41 0.00 0.00 57.07 54.59 1ck0 s TYR 49 Cb -0.03 -0.45 0.01 0.00 -1.10 0.00 0.00 41.96 40.39 1ck0 s TYR 49 CO 0.04 -0.23 0.92 0.91 -2.51 0.00 0.00 175.55 174.67 1ck0 n TRP 50 N 0.18 -2.40 0.00 -3.49 8.01 -1.14 -1.24 117.44 117.36 1ck0 n TRP 50 Ca -0.14 0.79 0.00 0.00 -1.31 0.00 0.00 57.50 56.84 1ck0 n TRP 50 Cb 0.60 -4.62 0.00 0.00 -2.01 0.00 0.00 31.31 25.28 1ck0 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ck0 n ALA 51 N -4.34 0.00 -1.36 6.99 0.00 0.26 -4.13 120.51 117.93 1ck0 n ALA 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ck0 n ALA 51 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1ck0 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ck0 n SER 52 N 0.03 0.00 -4.66 0.00 3.41 -1.18 -2.56 113.62 108.67 1ck0 n SER 52 Ca 0.00 -0.81 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 1ck0 n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1ck0 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ck0 s THR 53 N 0.00 4.89 0.53 6.66 2.01 -0.37 -4.56 115.64 124.80 1ck0 s THR 53 Ca 0.00 1.51 -0.19 0.00 0.31 0.00 0.00 61.69 63.32 1ck0 s THR 53 Cb 0.00 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1ck0 s THR 53 CO 0.00 0.01 1.09 -0.13 -0.69 0.00 0.00 174.62 174.90 1ck0 s ARG 54 N 2.37 3.50 0.62 4.92 0.52 -1.26 -0.67 118.95 128.94 1ck0 s ARG 54 Ca 0.35 1.50 -0.10 0.00 -0.52 0.00 0.00 55.73 56.96 1ck0 s ARG 54 Cb -0.16 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 1ck0 s ARG 54 CO 0.10 -0.71 1.00 0.20 0.02 0.00 0.00 175.30 175.91 1ck0 s GLY 55 N -1.92 1.62 0.16 -3.53 0.00 -0.52 -4.84 107.32 98.29 1ck0 s GLY 55 Ca 0.70 -0.30 -0.34 0.00 0.00 0.00 0.00 44.72 44.78 1ck0 s GLY 55 CO 0.25 -0.02 1.58 -1.26 0.00 0.00 0.00 173.10 173.66 1ck0 n SER 56 N -2.73 3.12 0.00 1.64 2.88 -1.26 -1.35 113.62 115.92 1ck0 n SER 56 Ca 0.05 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1ck0 n SER 56 Cb 0.56 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1ck0 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ck0 n GLY 57 N 3.44 3.16 3.70 0.46 0.00 -1.26 -5.00 105.19 109.69 1ck0 n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ck0 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ck0 s VAL 58 N -1.89 3.89 0.64 1.61 1.01 -0.46 -4.99 120.40 120.21 1ck0 s VAL 58 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.13 1ck0 s VAL 58 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ck0 s VAL 58 CO 0.00 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.09 1ck0 s PRO 59 N 1.76 2.91 0.00 2.72 0.04 -1.26 -4.78 135.00 136.39 1ck0 s PRO 59 Ca 0.60 1.38 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1ck0 s PRO 59 Cb -0.30 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.52 1ck0 s PRO 59 CO 0.27 -1.16 0.59 -0.40 0.04 0.00 0.00 177.00 176.34 1ck0 n ASP 60 N -2.27 0.00 0.20 6.66 5.75 -1.26 -1.82 116.55 123.80 1ck0 n ASP 60 Ca 0.10 -0.37 0.08 0.00 -0.01 0.00 0.00 54.79 54.59 1ck0 n ASP 60 Cb 0.52 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.90 1ck0 n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1ck0 h ARG 61 N 0.00 0.00 -5.54 0.11 3.08 -1.91 -3.44 114.38 106.68 1ck0 h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ck0 h ARG 61 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1ck0 h ARG 61 CO 0.00 0.29 -0.19 -0.06 -1.07 0.00 0.00 179.97 178.94 1ck0 s PHE 62 N -3.38 3.43 -0.07 3.04 0.40 -0.76 -1.24 117.98 119.41 1ck0 s PHE 62 Ca 0.02 0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1ck0 s PHE 62 Cb 0.09 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 41.13 1ck0 s PHE 62 CO 0.67 0.08 -0.02 0.99 0.70 0.00 0.00 175.22 177.65 1ck0 s THR 63 N 0.97 0.51 0.09 0.64 2.01 -0.07 -4.95 115.64 114.83 1ck0 s THR 63 Ca 0.21 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1ck0 s THR 63 Cb -0.15 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1ck0 s THR 63 CO 0.08 0.27 0.23 -0.83 -0.69 0.00 0.00 174.62 173.68 1ck0 s GLY 64 N 1.66 2.02 0.27 4.40 0.00 -1.26 -0.44 107.32 113.97 1ck0 s GLY 64 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 1ck0 s GLY 64 CO -0.04 -0.90 0.51 -0.56 0.00 0.00 0.00 173.10 172.11 1ck0 s SER 65 N -2.76 0.05 0.00 1.64 0.01 0.23 -4.45 113.70 108.43 1ck0 s SER 65 Ca 0.35 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1ck0 s SER 65 Cb -0.12 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1ck0 s SER 65 CO 0.28 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1ck0 n GLY 66 N -0.42 1.67 3.49 3.44 0.00 -1.26 -1.41 105.19 110.69 1ck0 n GLY 66 Ca -0.02 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.77 1ck0 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ck0 s SER 67 N 0.00 -0.62 0.42 1.61 0.01 -0.88 -4.93 113.70 109.30 1ck0 s SER 67 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1ck0 s SER 67 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1ck0 s SER 67 CO 0.00 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1ck0 n GLY 68 N 0.47 1.82 0.00 3.44 0.00 -1.26 -3.15 105.19 106.52 1ck0 n GLY 68 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ck0 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ck0 n THR 69 N 0.00 0.00 -4.09 2.61 -2.24 -1.26 -1.42 114.28 107.89 1ck0 n THR 69 Ca 0.00 -0.46 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 1ck0 n THR 69 Cb 0.00 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.12 1ck0 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ck0 s ASP 70 N -0.40 3.47 0.15 3.42 1.01 -1.19 -0.33 116.67 122.80 1ck0 s ASP 70 Ca 0.00 -0.74 0.05 0.00 0.71 0.00 0.00 52.55 52.57 1ck0 s ASP 70 Cb 0.00 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.37 1ck0 s ASP 70 CO 0.00 -0.03 -0.11 -0.36 0.21 0.00 0.00 175.17 174.88 1ck0 s PHE 71 N 1.28 1.31 -0.01 4.23 0.40 -0.68 -2.08 117.98 122.43 1ck0 s PHE 71 Ca 0.03 -0.71 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1ck0 s PHE 71 Cb -0.14 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1ck0 s PHE 71 CO -0.11 0.11 0.19 0.95 0.70 0.00 0.00 175.22 177.06 1ck0 s THR 72 N -3.08 0.06 -0.10 0.64 -4.23 -0.50 -1.23 115.64 107.19 1ck0 s THR 72 Ca 0.15 -0.53 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1ck0 s THR 72 Cb 0.01 -0.45 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 1ck0 s THR 72 CO 0.01 -0.29 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.36 1ck0 s LEU 73 N -1.13 2.18 -0.17 4.79 2.96 -0.72 -0.60 118.68 125.99 1ck0 s LEU 73 Ca -0.12 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1ck0 s LEU 73 Cb -0.06 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.21 1ck0 s LEU 73 CO 0.02 0.16 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.13 1ck0 s THR 74 N 0.34 1.97 -0.20 3.68 2.01 0.42 -2.06 115.64 121.79 1ck0 s THR 74 Ca -0.18 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.89 1ck0 s THR 74 Cb -0.18 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1ck0 s THR 74 CO 0.08 0.53 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.91 1ck0 s ILE 75 N 1.31 3.92 0.07 1.82 1.01 -0.72 -0.90 121.20 127.71 1ck0 s ILE 75 Ca 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1ck0 s ILE 75 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1ck0 s ILE 75 CO -0.12 0.42 0.08 -0.44 0.00 0.00 0.00 174.94 174.88 1ck0 s SER 76 N 1.05 5.55 -1.12 3.58 0.01 -0.37 -1.11 113.70 121.29 1ck0 s SER 76 Ca 0.02 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1ck0 s SER 76 Cb -0.14 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1ck0 s SER 76 CO 0.01 0.18 0.88 -0.24 0.41 0.00 0.00 173.24 174.49 1ck0 n SER 77 N 0.53 -5.08 -4.71 2.44 2.88 -1.16 -4.80 113.62 103.71 1ck0 n SER 77 Ca -0.09 -0.77 -0.42 0.00 -1.33 0.00 0.00 58.87 56.27 1ck0 n SER 77 Cb 0.52 -4.73 -0.03 0.00 -0.75 0.00 0.00 64.21 59.21 1ck0 n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ck0 s VAL 78 N -3.43 2.36 0.50 2.46 1.01 -0.75 -4.74 120.40 117.81 1ck0 s VAL 78 Ca 0.34 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1ck0 s VAL 78 Cb -0.06 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1ck0 s VAL 78 CO 0.77 0.01 0.43 -1.10 0.00 0.00 0.00 175.10 175.21 1ck0 s GLN 79 N 1.77 2.36 0.36 2.72 -0.21 -1.26 -1.54 119.66 123.86 1ck0 s GLN 79 Ca 0.76 -1.79 0.27 0.00 0.02 0.00 0.00 55.36 54.62 1ck0 s GLN 79 Cb -0.47 -2.26 1.17 0.00 1.00 0.00 0.00 33.01 32.46 1ck0 s GLN 79 CO 0.33 -0.47 1.81 0.00 -2.12 0.00 0.00 175.29 174.84 1ck0 h ALA 80 N 0.81 1.00 -0.00 6.09 0.00 -1.94 -2.49 119.26 122.72 1ck0 h ALA 80 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ck0 h ALA 80 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ck0 h ALA 80 CO 0.56 0.00 -0.19 0.39 0.00 0.00 0.00 179.25 180.01 1ck0 n GLU 81 N -2.51 0.46 -0.16 0.00 4.71 -1.26 -3.96 120.64 117.90 1ck0 n GLU 81 Ca 0.01 -0.18 0.07 0.00 -0.01 0.00 0.00 57.16 57.05 1ck0 n GLU 81 Cb 0.23 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.36 1ck0 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ck0 n ASP 82 N -1.11 1.87 -4.67 1.62 10.43 -0.94 -4.88 116.55 118.87 1ck0 n ASP 82 Ca 0.11 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 55.10 1ck0 n ASP 82 Cb 0.31 -0.22 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 1ck0 n ASP 82 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 1ck0 s LEU 83 N -1.10 4.28 0.00 0.64 0.05 -1.25 -4.87 118.68 116.43 1ck0 s LEU 83 Ca 0.25 2.07 -0.20 0.00 0.05 0.00 0.00 54.13 56.31 1ck0 s LEU 83 Cb 0.13 -3.54 0.06 0.00 -2.05 0.00 0.00 46.19 40.80 1ck0 s LEU 83 CO 0.18 -0.85 0.89 0.00 -0.55 0.00 0.00 176.35 176.02 1ck0 n ALA 84 N 6.68 -2.53 -2.82 1.48 0.00 -1.24 -4.43 120.51 117.66 1ck0 n ALA 84 Ca 0.16 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 1ck0 n ALA 84 Cb 0.43 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1ck0 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ck0 s VAL 85 N -2.05 4.37 -0.22 0.00 1.01 -1.01 -0.93 120.40 121.57 1ck0 s VAL 85 Ca 0.21 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1ck0 s VAL 85 Cb -0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1ck0 s VAL 85 CO -0.01 0.53 0.06 -0.31 0.00 0.00 0.00 175.10 175.36 1ck0 s TYR 86 N -0.11 3.11 -0.01 5.22 2.02 0.22 -1.79 117.35 126.01 1ck0 s TYR 86 Ca 0.05 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1ck0 s TYR 86 Cb -0.13 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 1ck0 s TYR 86 CO 0.02 -0.21 -0.05 0.71 -1.57 0.00 0.00 175.55 174.45 1ck0 s TYR 87 N 1.20 2.95 0.02 2.71 2.02 0.18 -1.39 117.35 125.05 1ck0 s TYR 87 Ca 0.04 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1ck0 s TYR 87 Cb -0.14 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1ck0 s TYR 87 CO 0.03 0.40 -0.06 0.00 -1.57 0.00 0.00 175.55 174.34 1ck0 s LYS 89 N -1.57 0.62 -0.08 0.00 2.20 0.52 -0.82 119.74 120.61 1ck0 s LYS 89 Ca 0.18 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1ck0 s LYS 89 Cb -0.11 -0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 1ck0 s LYS 89 CO 0.09 0.12 0.01 1.14 -0.36 0.00 0.00 175.35 176.35 1ck0 s GLN 90 N -1.07 2.99 -0.03 4.03 1.03 0.34 -0.19 119.66 126.76 1ck0 s GLN 90 Ca -0.03 -0.42 0.06 0.00 0.04 0.00 0.00 55.36 55.01 1ck0 s GLN 90 Cb -0.07 -2.80 0.15 0.00 0.03 0.00 0.00 33.01 30.32 1ck0 s GLN 90 CO 0.01 0.70 1.11 0.43 -2.54 0.00 0.00 175.29 175.00 1ck0 n SER 91 N 2.02 2.41 0.07 12.60 7.64 0.07 -3.08 113.62 135.35 1ck0 n SER 91 Ca -0.18 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1ck0 n SER 91 Cb 0.54 -0.15 0.31 0.00 -1.01 0.00 0.00 64.21 63.90 1ck0 n SER 91 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ck0 h TYR 92 N 0.65 0.37 -1.55 1.43 5.03 -1.91 -3.40 116.97 117.60 1ck0 h TYR 92 Ca 0.00 -0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.12 1ck0 h TYR 92 Cb 0.68 -0.10 -0.27 0.00 1.55 0.00 0.00 36.73 38.60 1ck0 h TYR 92 CO 0.09 0.50 -0.49 1.21 -1.32 0.00 0.00 178.16 178.15 1ck0 s ASN 93 N -6.83 -0.09 0.84 -2.11 3.04 -1.26 -5.09 114.94 103.43 1ck0 s ASN 93 Ca -0.06 -0.20 0.00 0.00 0.04 0.00 0.00 52.86 52.64 1ck0 s ASN 93 Cb 0.15 1.33 0.00 0.00 -1.54 0.00 0.00 41.25 41.19 1ck0 s ASN 93 CO 0.76 -0.34 0.00 0.18 -3.04 0.00 0.00 177.10 174.66 1ck0 n LEU 94 N 5.37 0.00 -4.22 3.21 4.77 -1.26 -4.79 117.00 120.07 1ck0 n LEU 94 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1ck0 n LEU 94 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1ck0 n LEU 94 CO -0.02 0.00 -0.44 -0.31 -1.33 0.00 0.00 177.39 175.29 1ck0 s TYR 95 N 0.00 1.30 -0.30 -1.77 2.02 -1.26 -4.27 117.35 113.07 1ck0 s TYR 95 Ca 0.00 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 56.00 1ck0 s TYR 95 Cb 0.00 -0.69 0.13 0.00 -0.40 0.00 0.00 41.96 41.00 1ck0 s TYR 95 CO 0.00 0.10 0.73 0.99 -1.57 0.00 0.00 175.55 175.81 1ck0 s THR 96 N -2.22 -0.77 0.41 -0.71 2.01 -1.18 -4.97 115.64 108.21 1ck0 s THR 96 Ca 0.08 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1ck0 s THR 96 Cb -0.04 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 1ck0 s THR 96 CO 0.02 0.00 0.60 -0.36 -0.69 0.00 0.00 174.62 174.20 1ck0 s PHE 97 N 2.64 3.15 0.56 4.92 0.40 -1.26 -0.50 117.98 127.89 1ck0 s PHE 97 Ca -0.06 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1ck0 s PHE 97 Cb -0.10 -2.23 0.10 0.00 0.51 0.00 0.00 43.02 41.31 1ck0 s PHE 97 CO -0.19 -0.27 0.77 0.41 0.70 0.00 0.00 175.22 176.64 1ck0 n GLY 98 N -1.93 1.33 0.22 4.36 0.00 0.00 -4.63 105.19 104.54 1ck0 n GLY 98 Ca 0.01 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.94 1ck0 n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ck0 h GLY 99 N -0.20 0.14 0.00 -0.02 0.00 -1.90 -3.45 103.07 97.63 1ck0 h GLY 99 Ca -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1ck0 h GLY 99 CO 0.32 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.55 1ck0 n GLY 100 N -0.77 2.24 3.00 4.60 0.00 -1.26 -5.01 105.19 108.00 1ck0 n GLY 100 Ca -0.01 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 1ck0 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ck0 s THR 101 N -2.76 0.96 0.01 2.61 2.01 -0.49 -4.75 115.64 113.22 1ck0 s THR 101 Ca 0.00 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 1ck0 s THR 101 Cb 0.00 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 1ck0 s THR 101 CO 0.00 0.31 0.42 -0.75 -0.69 0.00 0.00 174.62 173.90 1ck0 s LYS 102 N 0.54 3.93 -0.26 4.92 2.20 -0.34 0.69 119.74 131.41 1ck0 s LYS 102 Ca -0.10 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 1ck0 s LYS 102 Cb -0.13 -3.21 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1ck0 s LYS 102 CO 0.02 0.69 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.44 1ck0 s LEU 103 N -1.11 3.42 0.22 5.43 2.96 -0.11 -1.42 118.68 128.07 1ck0 s LEU 103 Ca 0.24 -1.25 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1ck0 s LEU 103 Cb -0.17 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1ck0 s LEU 103 CO 0.14 -0.19 0.31 -1.61 -1.32 0.00 0.00 176.35 173.68 1ck0 s GLU 104 N 1.18 3.34 -0.26 1.98 2.02 -0.14 -3.62 118.70 123.21 1ck0 s GLU 104 Ca -0.06 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 1ck0 s GLU 104 Cb -0.19 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.21 1ck0 s GLU 104 CO -0.05 0.45 -0.02 0.42 0.02 0.00 0.00 175.26 176.08 1ck0 s ILE 105 N -1.94 3.21 -0.14 -1.63 -1.09 -1.26 -1.96 121.20 116.39 1ck0 s ILE 105 Ca 0.34 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 1ck0 s ILE 105 Cb -0.09 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 1ck0 s ILE 105 CO 0.28 0.20 1.37 -0.54 -1.23 0.00 0.00 174.94 175.02 1ck0 s LYS 106 N 1.39 4.20 0.00 2.79 1.02 0.88 -4.89 119.74 125.12 1ck0 s LYS 106 Ca 0.01 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1ck0 s LYS 106 Cb -0.16 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 1ck0 s LYS 106 CO -0.03 -0.77 0.00 2.89 -0.92 0.00 0.00 175.35 176.52 1ck0 n ARG 107 N 6.80 1.80 -2.55 1.68 1.85 -1.26 -4.38 116.66 120.58 1ck0 n ARG 107 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.67 1ck0 n ARG 107 Cb 0.44 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.81 1ck0 n ARG 107 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ck0 s ALA 108 N -2.00 2.94 0.51 2.89 0.00 -1.26 -5.00 121.76 119.83 1ck0 s ALA 108 Ca 0.00 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 1ck0 s ALA 108 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1ck0 s ALA 108 CO 0.00 -0.22 1.26 -0.25 0.00 0.00 0.00 175.76 176.55 1ck0 n ASP 109 N -1.07 2.31 -3.70 0.00 8.00 -1.26 -4.75 116.55 116.07 1ck0 n ASP 109 Ca 0.08 1.00 -0.16 0.00 0.71 0.00 0.00 54.79 56.42 1ck0 n ASP 109 Cb 0.53 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.96 1ck0 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ck0 s ALA 110 N -1.29 -0.17 0.31 2.24 0.00 0.15 -4.87 121.76 118.13 1ck0 s ALA 110 Ca 0.68 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1ck0 s ALA 110 Cb -0.45 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 1ck0 s ALA 110 CO 0.52 -0.39 1.02 0.00 0.00 0.00 0.00 175.76 176.91 1ck0 s ALA 111 N 1.81 3.28 0.75 0.00 0.00 -1.26 -0.93 121.76 125.41 1ck0 s ALA 111 Ca -0.02 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1ck0 s ALA 111 Cb -0.12 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1ck0 s ALA 111 CO -0.06 -0.02 1.08 -1.25 0.00 0.00 0.00 175.76 175.51 1ck0 s PRO 112 N -1.74 2.45 -0.40 0.00 0.04 -1.26 -4.60 135.00 129.49 1ck0 s PRO 112 Ca 0.48 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1ck0 s PRO 112 Cb -0.26 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1ck0 s PRO 112 CO 0.33 -1.41 0.19 0.99 0.04 0.00 0.00 177.00 177.14 1ck0 s THR 113 N -3.07 3.36 0.31 1.26 2.01 -0.54 -4.91 115.64 114.05 1ck0 s THR 113 Ca 0.60 -1.93 -0.27 0.00 0.31 0.00 0.00 61.69 60.40 1ck0 s THR 113 Cb -0.15 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1ck0 s THR 113 CO 0.55 -0.62 0.94 -0.69 -0.69 0.00 0.00 174.62 174.11 1ck0 s VAL 114 N 1.18 4.19 -0.15 3.82 1.01 -1.26 -2.67 120.40 126.52 1ck0 s VAL 114 Ca 0.06 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 63.87 1ck0 s VAL 114 Cb -0.23 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1ck0 s VAL 114 CO -0.03 0.20 0.26 -0.44 0.00 0.00 0.00 175.10 175.09 1ck0 s SER 115 N -1.54 0.54 -0.06 3.32 0.01 -0.40 -4.97 113.70 110.60 1ck0 s SER 115 Ca 0.49 0.42 -0.03 0.00 1.31 0.00 0.00 55.95 58.13 1ck0 s SER 115 Cb -0.20 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1ck0 s SER 115 CO 0.25 -0.26 0.09 -0.51 0.41 0.00 0.00 173.24 173.23 1ck0 s ILE 116 N 2.41 4.96 -0.08 1.44 2.07 -1.26 -0.20 121.20 130.53 1ck0 s ILE 116 Ca 0.03 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1ck0 s ILE 116 Cb -0.13 -3.20 0.02 0.00 0.13 0.00 0.00 42.46 39.28 1ck0 s ILE 116 CO -0.10 0.48 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.00 1ck0 s PHE 117 N -1.09 1.15 0.76 3.50 0.08 0.54 -4.99 117.98 117.92 1ck0 s PHE 117 Ca 0.19 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 1ck0 s PHE 117 Cb -0.12 -0.99 0.05 0.00 -0.57 0.00 0.00 43.02 41.38 1ck0 s PHE 117 CO 0.09 -0.36 1.08 -2.14 -0.10 0.00 0.00 175.22 173.79 1ck0 s PRO 118 N 1.41 2.40 0.76 0.24 0.02 -1.26 -2.27 135.00 136.30 1ck0 s PRO 118 Ca -0.02 1.08 -0.15 0.00 0.02 0.00 0.00 61.00 61.94 1ck0 s PRO 118 Cb -0.13 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.52 1ck0 s PRO 118 CO -0.04 -1.52 1.23 -2.14 -0.33 0.00 0.00 177.00 174.21 1ck0 s PRO 119 N -4.95 1.90 0.37 5.54 0.02 -1.25 -4.84 135.00 131.79 1ck0 s PRO 119 Ca 0.60 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 63.38 1ck0 s PRO 119 Cb -0.16 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1ck0 s PRO 119 CO 0.56 -2.04 0.72 -1.54 -0.33 0.00 0.00 177.00 174.37 1ck0 s SER 120 N -1.93 6.54 0.18 2.53 1.04 -1.26 -4.94 113.70 115.86 1ck0 s SER 120 Ca 0.76 1.07 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 1ck0 s SER 120 Cb -0.31 -2.29 0.17 0.00 0.10 0.00 0.00 66.02 63.68 1ck0 s SER 120 CO 0.47 -0.34 1.72 0.28 0.98 0.00 0.00 173.24 176.36 1ck0 h SER 121 N 1.47 0.01 -0.62 7.02 0.02 -1.99 -0.33 113.55 119.12 1ck0 h SER 121 Ca -0.47 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1ck0 h SER 121 Cb 1.19 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 1ck0 h SER 121 CO 0.64 0.03 0.25 -0.33 -1.14 0.00 0.00 176.83 176.29 1ck0 h GLU 122 N 0.23 0.44 -0.16 3.45 5.08 -1.98 -0.37 114.58 121.27 1ck0 h GLU 122 Ca 0.24 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1ck0 h GLU 122 Cb 0.31 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ck0 h GLU 122 CO -0.31 0.29 -0.02 0.37 -1.00 0.00 0.00 179.01 178.34 1ck0 h GLN 123 N 0.45 0.30 -0.53 2.33 4.15 -1.63 -3.03 115.11 117.17 1ck0 h GLN 123 Ca 0.31 -0.11 0.10 0.00 0.77 0.00 0.00 58.65 59.72 1ck0 h GLN 123 Cb 0.35 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.94 1ck0 h GLN 123 CO -0.28 0.56 0.03 -0.07 -1.93 0.00 0.00 178.83 177.14 1ck0 h LEU 124 N 0.02 -0.17 0.00 -2.39 3.38 -0.50 0.52 115.31 116.18 1ck0 h LEU 124 Ca 0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ck0 h LEU 124 Cb 0.44 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ck0 h LEU 124 CO 0.01 -0.06 0.00 0.41 0.09 0.00 0.00 178.44 178.90 1ck0 n THR 125 N -5.21 1.49 1.06 0.22 -1.04 -0.20 -0.74 114.28 109.85 1ck0 n THR 125 Ca 0.06 0.37 0.12 0.00 -2.04 0.00 0.00 64.05 62.57 1ck0 n THR 125 Cb 0.28 -1.31 0.15 0.00 -1.82 0.00 0.00 70.33 67.63 1ck0 n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ck0 n SER 126 N -1.42 2.74 -0.05 8.00 7.64 0.18 -4.97 113.62 125.75 1ck0 n SER 126 Ca 0.01 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1ck0 n SER 126 Cb 0.04 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1ck0 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ck0 n GLY 127 N 1.33 0.62 3.39 0.23 0.00 0.08 -5.06 105.19 105.77 1ck0 n GLY 127 Ca 0.14 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1ck0 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ck0 s GLY 128 N -2.87 -0.23 -0.15 -0.02 0.00 -1.23 -3.59 107.32 99.23 1ck0 s GLY 128 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.60 1ck0 s GLY 128 CO 0.00 -0.27 0.25 0.00 0.00 0.00 0.00 173.10 173.09 1ck0 s ALA 129 N -3.82 -0.50 -0.26 3.20 0.00 0.14 -3.37 121.76 117.15 1ck0 s ALA 129 Ca 0.05 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 1ck0 s ALA 129 Cb 0.01 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1ck0 s ALA 129 CO -0.09 -0.83 -0.05 -1.12 0.00 0.00 0.00 175.76 173.67 1ck0 s SER 130 N 2.40 4.42 -0.22 0.00 0.01 -1.26 -0.19 113.70 118.85 1ck0 s SER 130 Ca 0.04 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.19 1ck0 s SER 130 Cb -0.13 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1ck0 s SER 130 CO -0.10 -0.15 0.43 -0.69 0.41 0.00 0.00 173.24 173.14 1ck0 s VAL 131 N 1.31 5.16 0.03 3.43 1.01 0.11 -3.95 120.40 127.50 1ck0 s VAL 131 Ca -0.01 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.75 1ck0 s VAL 131 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1ck0 s VAL 131 CO -0.04 0.21 -0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1ck0 s VAL 132 N 1.60 3.81 -0.03 2.92 1.01 -0.96 -0.59 120.40 128.15 1ck0 s VAL 132 Ca 0.19 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ck0 s VAL 132 Cb -0.15 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1ck0 s VAL 132 CO 0.09 0.31 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1ck0 s PHE 134 N 0.58 2.91 -0.52 0.00 2.99 0.72 -1.12 117.98 123.54 1ck0 s PHE 134 Ca -0.07 -1.08 -0.03 0.00 0.00 0.00 0.00 56.93 55.74 1ck0 s PHE 134 Cb -0.11 -2.05 0.14 0.00 0.00 0.00 0.00 43.02 41.00 1ck0 s PHE 134 CO 0.00 -0.59 0.32 -0.51 -0.00 0.00 0.00 175.22 174.45 1ck0 s LEU 135 N 1.37 5.26 0.09 -0.37 1.02 -0.09 -1.27 118.68 124.69 1ck0 s LEU 135 Ca 0.05 -2.43 0.02 0.00 0.02 0.00 0.00 54.13 51.78 1ck0 s LEU 135 Cb -0.14 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 1ck0 s LEU 135 CO -0.05 -0.46 0.19 0.20 0.02 0.00 0.00 176.35 176.25 1ck0 s ASN 136 N 1.30 6.09 -0.56 2.29 0.02 -1.09 0.58 114.94 123.57 1ck0 s ASN 136 Ca 0.12 0.15 -0.21 0.00 -1.02 0.00 0.00 52.86 51.90 1ck0 s ASN 136 Cb -0.22 -1.79 0.03 0.00 0.02 0.00 0.00 41.25 39.29 1ck0 s ASN 136 CO -0.04 0.13 0.64 0.59 0.02 0.00 0.00 177.10 178.45 1ck0 n ASN 137 N 0.08 -6.23 -4.17 -1.22 3.02 0.03 -1.47 115.26 105.30 1ck0 n ASN 137 Ca -0.07 -0.15 -0.10 0.00 -0.03 0.00 0.00 54.58 54.23 1ck0 n ASN 137 Cb 0.52 -2.99 -0.10 0.00 -0.61 0.00 0.00 39.78 36.60 1ck0 n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ck0 s PHE 138 N -2.24 0.94 -0.24 3.10 -0.12 -0.18 -4.40 117.98 114.85 1ck0 s PHE 138 Ca 0.23 -1.22 -0.17 0.00 -0.05 0.00 0.00 56.93 55.72 1ck0 s PHE 138 Cb -0.03 -0.52 0.07 0.00 -0.63 0.00 0.00 43.02 41.90 1ck0 s PHE 138 CO 0.84 -0.48 0.60 -0.47 -0.05 0.00 0.00 175.22 175.66 1ck0 s TYR 139 N -4.00 -0.81 1.13 3.49 6.14 -0.11 -0.33 117.35 122.85 1ck0 s TYR 139 Ca 0.25 1.76 -0.19 0.00 0.64 0.00 0.00 57.07 59.54 1ck0 s TYR 139 Cb 0.07 0.39 0.27 0.00 0.42 0.00 0.00 41.96 43.12 1ck0 s TYR 139 CO 0.03 -0.41 1.24 -1.25 0.64 0.00 0.00 175.55 175.80 1ck0 s PRO 140 N 1.04 -0.67 0.50 4.97 0.04 -1.26 0.33 135.00 139.94 1ck0 s PRO 140 Ca -0.06 -0.38 0.23 0.00 0.04 0.00 0.00 61.00 60.84 1ck0 s PRO 140 Cb -0.05 -1.69 1.30 0.00 0.04 0.00 0.00 34.50 34.10 1ck0 s PRO 140 CO -0.10 -3.29 2.04 -0.22 0.04 0.00 0.00 177.00 175.47 1ck0 h LYS 141 N -2.27 0.00 -6.23 4.56 3.64 -1.99 -3.43 116.57 110.85 1ck0 h LYS 141 Ca -0.43 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.37 1ck0 h LYS 141 Cb 1.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1ck0 h LYS 141 CO 0.29 0.15 1.31 -0.51 -2.27 0.00 0.00 179.45 178.42 1ck0 s ASP 142 N -6.43 5.84 -0.01 4.20 1.11 -1.26 -4.97 116.67 115.15 1ck0 s ASP 142 Ca -0.03 1.42 -0.13 0.00 0.18 0.00 0.00 52.55 53.99 1ck0 s ASP 142 Cb 0.14 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.62 1ck0 s ASP 142 CO 0.62 -1.73 0.27 -0.51 1.18 0.00 0.00 175.17 175.00 1ck0 s ILE 143 N 7.06 0.07 -0.14 0.77 2.07 -1.26 -4.62 121.20 125.15 1ck0 s ILE 143 Ca 0.83 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1ck0 s ILE 143 Cb -0.24 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1ck0 s ILE 143 CO 0.34 -0.30 -0.19 0.21 -1.91 0.00 0.00 174.94 173.09 1ck0 s ASN 144 N -1.40 3.36 -0.16 4.50 2.47 0.24 -4.98 114.94 118.97 1ck0 s ASN 144 Ca -0.13 -0.53 0.01 0.00 0.42 0.00 0.00 52.86 52.63 1ck0 s ASN 144 Cb -0.05 -1.49 0.02 0.00 -1.45 0.00 0.00 41.25 38.27 1ck0 s ASN 144 CO 0.03 0.11 -0.19 0.54 -3.72 0.00 0.00 177.10 173.87 1ck0 s VAL 145 N 0.68 1.91 0.00 -5.21 0.11 -1.26 -0.02 120.40 116.61 1ck0 s VAL 145 Ca -0.09 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1ck0 s VAL 145 Cb -0.16 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1ck0 s VAL 145 CO 0.02 0.52 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.66 1ck0 s LYS 146 N 1.20 2.45 -0.22 1.54 1.02 0.18 -4.93 119.74 120.97 1ck0 s LYS 146 Ca 0.01 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 1ck0 s LYS 146 Cb -0.14 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1ck0 s LYS 146 CO -0.09 0.60 0.06 -1.58 -0.92 0.00 0.00 175.35 173.41 1ck0 s TRP 147 N -0.93 3.12 -0.16 3.18 0.52 -1.26 0.24 118.94 123.64 1ck0 s TRP 147 Ca 0.16 -0.28 0.00 0.00 0.02 0.00 0.00 56.10 56.00 1ck0 s TRP 147 Cb -0.11 -2.16 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1ck0 s TRP 147 CO 0.06 -0.19 -0.11 0.15 0.02 0.00 0.00 176.95 176.87 1ck0 s LYS 148 N 1.15 2.02 -0.50 4.98 1.02 -0.05 -0.20 119.74 128.17 1ck0 s LYS 148 Ca 0.04 -0.59 -0.14 0.00 0.02 0.00 0.00 55.97 55.31 1ck0 s LYS 148 Cb -0.14 -2.11 0.11 0.00 -0.52 0.00 0.00 37.83 35.17 1ck0 s LYS 148 CO 0.03 -0.31 0.42 0.42 -0.92 0.00 0.00 175.35 174.98 1ck0 s ILE 149 N 1.51 4.90 0.00 2.17 1.01 -0.49 -0.61 121.20 129.69 1ck0 s ILE 149 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1ck0 s ILE 149 Cb -0.14 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1ck0 s ILE 149 CO -0.09 -0.75 0.00 0.47 0.00 0.00 0.00 174.94 174.57 1ck0 n ASP 150 N 5.13 0.00 0.00 3.58 8.00 0.99 -3.22 116.55 131.03 1ck0 n ASP 150 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ck0 n ASP 150 Cb 0.41 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1ck0 n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ck0 n GLY 151 N -0.49 0.80 3.80 0.44 0.00 -1.26 -4.98 105.19 103.50 1ck0 n GLY 151 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1ck0 n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ck0 s SER 152 N 0.00 6.64 -0.09 1.61 0.15 -1.20 -5.00 113.70 115.81 1ck0 s SER 152 Ca 0.00 1.88 -0.19 0.00 0.70 0.00 0.00 55.95 58.34 1ck0 s SER 152 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1ck0 s SER 152 CO 0.00 -0.57 0.52 -0.70 1.20 0.00 0.00 173.24 173.69 1ck0 s GLU 153 N -3.00 4.33 -0.36 5.44 2.12 -1.26 -1.39 118.70 124.57 1ck0 s GLU 153 Ca 0.63 0.54 -0.13 0.00 0.36 0.00 0.00 54.97 56.36 1ck0 s GLU 153 Cb -0.16 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1ck0 s GLU 153 CO 0.20 0.20 0.25 0.50 -0.54 0.00 0.00 175.26 175.87 1ck0 s ARG 154 N 0.45 3.32 -0.01 4.30 6.06 0.71 -4.93 118.95 128.85 1ck0 s ARG 154 Ca 0.28 -0.77 0.10 0.00 -2.50 0.00 0.00 55.73 52.84 1ck0 s ARG 154 Cb -0.16 -3.83 0.28 0.00 0.06 0.00 0.00 34.95 31.30 1ck0 s ARG 154 CO 0.12 -0.53 1.23 1.04 -2.50 0.00 0.00 175.30 174.66 1ck0 n GLN 155 N 5.10 2.88 -5.02 5.12 6.02 -1.26 -4.26 117.38 125.97 1ck0 n GLN 155 Ca -0.12 -2.04 -0.28 0.00 -0.01 0.00 0.00 57.00 54.55 1ck0 n GLN 155 Cb 0.49 -1.27 -0.16 0.00 1.02 0.00 0.00 30.24 30.32 1ck0 n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ck0 s ASN 156 N -1.08 2.48 0.00 1.08 0.02 -1.26 -4.66 114.94 111.52 1ck0 s ASN 156 Ca 0.21 -0.39 0.00 0.00 -1.02 0.00 0.00 52.86 51.66 1ck0 s ASN 156 Cb 0.12 -0.46 0.00 0.00 0.02 0.00 0.00 41.25 40.93 1ck0 s ASN 156 CO 0.13 0.23 0.00 0.61 0.02 0.00 0.00 177.10 178.09 1ck0 n GLY 157 N 2.80 0.70 3.65 0.66 0.00 -1.26 -4.85 105.19 106.89 1ck0 n GLY 157 Ca -0.16 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1ck0 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ck0 s VAL 158 N -2.00 5.13 -0.18 1.61 1.01 -1.26 -1.65 120.40 123.06 1ck0 s VAL 158 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1ck0 s VAL 158 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1ck0 s VAL 158 CO 0.00 0.40 -0.16 -0.22 0.00 0.00 0.00 175.10 175.12 1ck0 s LEU 159 N 0.73 2.18 0.22 3.92 0.20 -0.42 -4.96 118.68 120.55 1ck0 s LEU 159 Ca 0.06 -0.73 0.08 0.00 0.69 0.00 0.00 54.13 54.23 1ck0 s LEU 159 Cb -0.13 -1.36 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 1ck0 s LEU 159 CO 0.02 -0.06 0.06 0.20 -0.29 0.00 0.00 176.35 176.28 1ck0 s ASN 160 N 1.34 4.97 -0.29 3.68 0.01 -1.26 -1.33 114.94 122.05 1ck0 s ASN 160 Ca 0.02 -0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 51.64 1ck0 s ASN 160 Cb -0.14 -1.10 0.12 0.00 0.41 0.00 0.00 41.25 40.54 1ck0 s ASN 160 CO -0.11 0.03 0.73 -0.55 -1.51 0.00 0.00 177.10 175.69 1ck0 s SER 161 N -3.40 -0.98 0.24 -1.22 0.15 -0.52 -4.99 113.70 102.99 1ck0 s SER 161 Ca 0.30 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.39 1ck0 s SER 161 Cb -0.08 1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 66.10 1ck0 s SER 161 CO 0.21 -0.20 0.38 0.26 1.20 0.00 0.00 173.24 175.09 1ck0 s TRP 162 N 2.41 3.47 0.32 3.44 0.51 -1.26 -1.45 118.94 126.37 1ck0 s TRP 162 Ca -0.07 0.09 0.07 0.00 -2.12 0.00 0.00 56.10 54.07 1ck0 s TRP 162 Cb -0.09 -1.66 -0.02 0.00 -0.81 0.00 0.00 33.47 30.89 1ck0 s TRP 162 CO -0.19 0.40 0.36 0.95 -0.51 0.00 0.00 176.95 177.97 1ck0 s THR 163 N -1.98 3.91 0.87 2.01 -4.23 -0.71 -5.01 115.64 110.50 1ck0 s THR 163 Ca 0.35 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1ck0 s THR 163 Cb -0.10 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.53 1ck0 s THR 163 CO 0.30 -0.19 1.09 -1.81 -0.54 0.00 0.00 174.62 173.48 1ck0 s ASP 164 N -4.06 3.69 0.21 3.99 1.01 -1.26 -4.61 116.67 115.64 1ck0 s ASP 164 Ca 0.42 1.59 -0.31 0.00 0.71 0.00 0.00 52.55 54.97 1ck0 s ASP 164 Cb -0.08 -2.27 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 1ck0 s ASP 164 CO 0.28 -2.51 1.47 -1.58 0.21 0.00 0.00 175.17 173.04 1ck0 s GLN 165 N -4.91 4.26 0.06 8.23 0.74 -1.26 -4.77 119.66 122.01 1ck0 s GLN 165 Ca 0.63 2.29 -0.31 0.00 0.05 0.00 0.00 55.36 58.02 1ck0 s GLN 165 Cb -0.18 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.72 1ck0 s GLN 165 CO 0.57 -0.47 1.55 0.34 -0.55 0.00 0.00 175.29 176.73 1ck0 s ASP 166 N 0.66 6.69 0.48 6.67 3.68 -0.71 -4.87 116.67 129.27 1ck0 s ASP 166 Ca 0.63 2.38 0.32 0.00 2.13 0.00 0.00 52.55 58.01 1ck0 s ASP 166 Cb -0.42 -2.57 1.48 0.00 -1.45 0.00 0.00 42.92 39.96 1ck0 s ASP 166 CO 0.38 -0.81 1.97 0.77 0.13 0.00 0.00 175.17 177.61 1ck0 h SER 167 N 7.91 0.00 0.00 -0.34 4.64 -1.91 0.32 113.55 124.17 1ck0 h SER 167 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ck0 h SER 167 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ck0 h SER 167 CO 0.91 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 178.04 1ck0 n LYS 168 N -2.79 0.00 -0.17 4.77 4.81 -1.26 -4.33 118.16 119.19 1ck0 n LYS 168 Ca -0.00 0.49 0.10 0.00 -0.87 0.00 0.00 58.31 58.03 1ck0 n LYS 168 Cb 0.21 -0.99 0.18 0.00 0.02 0.00 0.00 35.03 34.45 1ck0 n LYS 168 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ck0 n ASP 169 N -1.97 3.15 -1.86 3.14 5.68 -1.24 -4.98 116.55 118.47 1ck0 n ASP 169 Ca 0.00 -1.91 -0.21 0.00 -0.50 0.00 0.00 54.79 52.17 1ck0 n ASP 169 Cb 0.00 -0.22 -0.06 0.00 -1.14 0.00 0.00 41.12 39.70 1ck0 n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ck0 n SER 170 N 1.18 -5.66 -4.83 -1.12 7.64 0.11 -4.97 113.62 105.98 1ck0 n SER 170 Ca 0.16 0.34 -0.23 0.00 1.01 0.00 0.00 58.87 60.15 1ck0 n SER 170 Cb 0.52 -4.88 -0.04 0.00 -1.01 0.00 0.00 64.21 58.80 1ck0 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ck0 s THR 171 N -2.87 4.52 0.43 0.44 -4.23 -1.26 -4.65 115.64 108.03 1ck0 s THR 171 Ca 0.00 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1ck0 s THR 171 Cb 0.00 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1ck0 s THR 171 CO 0.00 -0.31 0.55 -0.31 -0.54 0.00 0.00 174.62 174.01 1ck0 s TYR 172 N -2.06 2.70 -0.01 3.99 2.02 0.55 -1.74 117.35 122.80 1ck0 s TYR 172 Ca 0.33 -0.44 -0.16 0.00 -0.37 0.00 0.00 57.07 56.43 1ck0 s TYR 172 Cb -0.08 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1ck0 s TYR 172 CO 0.25 -0.41 0.33 -1.12 -1.57 0.00 0.00 175.55 173.03 1ck0 s SER 173 N -4.33 -0.21 0.03 2.29 0.01 -1.26 -0.79 113.70 109.44 1ck0 s SER 173 Ca 0.54 0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 1ck0 s SER 173 Cb -0.08 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 1ck0 s SER 173 CO 0.32 -0.46 -0.01 -0.32 0.41 0.00 0.00 173.24 173.18 1ck0 s MET 174 N -1.35 0.47 -0.07 12.44 1.75 0.20 -1.75 119.30 130.98 1ck0 s MET 174 Ca -0.13 -0.86 0.01 0.00 -1.25 0.00 0.00 55.69 53.46 1ck0 s MET 174 Cb -0.05 0.17 0.02 0.00 2.84 0.00 0.00 34.83 37.81 1ck0 s MET 174 CO 0.04 -0.09 -0.08 0.45 -0.65 0.00 0.00 175.02 174.69 1ck0 s SER 175 N -2.10 1.68 -0.07 1.11 0.15 -0.53 -0.92 113.70 113.02 1ck0 s SER 175 Ca -0.06 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.40 1ck0 s SER 175 Cb -0.02 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.56 1ck0 s SER 175 CO -0.05 -0.04 -0.23 -0.55 1.20 0.00 0.00 173.24 173.56 1ck0 s SER 176 N 1.10 3.21 -0.05 5.45 0.15 -0.28 -1.43 113.70 121.85 1ck0 s SER 176 Ca -0.07 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1ck0 s SER 176 Cb -0.14 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1ck0 s SER 176 CO -0.01 0.23 -0.03 -0.89 1.20 0.00 0.00 173.24 173.73 1ck0 s THR 177 N -0.06 0.52 -0.23 6.45 2.01 -0.44 -0.00 115.64 123.89 1ck0 s THR 177 Ca -0.06 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1ck0 s THR 177 Cb -0.15 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1ck0 s THR 177 CO 0.05 0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 174.05 1ck0 s LEU 178 N 1.23 3.46 -0.35 4.42 2.96 0.24 -1.30 118.68 129.34 1ck0 s LEU 178 Ca -0.06 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1ck0 s LEU 178 Cb -0.14 -1.91 0.10 0.00 0.50 0.00 0.00 46.19 44.75 1ck0 s LEU 178 CO -0.02 0.02 0.08 -0.89 -1.32 0.00 0.00 176.35 174.22 1ck0 s THR 179 N 1.30 2.47 0.53 3.68 2.01 -0.66 0.05 115.64 125.02 1ck0 s THR 179 Ca 0.05 -2.30 0.08 0.00 0.31 0.00 0.00 61.69 59.82 1ck0 s THR 179 Cb -0.15 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.62 1ck0 s THR 179 CO 0.03 -0.62 0.60 -1.48 -0.69 0.00 0.00 174.62 172.46 1ck0 s LEU 180 N 0.93 3.07 0.56 4.42 0.05 0.73 -4.88 118.68 123.56 1ck0 s LEU 180 Ca 0.11 -0.92 -0.11 0.00 0.05 0.00 0.00 54.13 53.26 1ck0 s LEU 180 Cb -0.20 -1.64 -0.05 0.00 -2.05 0.00 0.00 46.19 42.25 1ck0 s LEU 180 CO -0.07 -1.13 0.96 0.42 -0.55 0.00 0.00 176.35 175.97 1ck0 s THR 181 N -2.65 4.73 0.45 5.48 -4.23 -1.26 -0.68 115.64 117.47 1ck0 s THR 181 Ca 0.51 0.78 0.13 0.00 -1.18 0.00 0.00 61.69 61.93 1ck0 s THR 181 Cb -0.05 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.26 1ck0 s THR 181 CO 0.32 -0.98 2.03 0.50 -0.54 0.00 0.00 174.62 175.95 1ck0 h LYS 182 N 0.08 0.35 -0.00 3.99 3.11 -1.76 -1.00 116.57 121.32 1ck0 h LYS 182 Ca -0.45 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.33 1ck0 h LYS 182 Cb 1.19 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1ck0 h LYS 182 CO 0.62 0.23 -0.12 0.38 -2.81 0.00 0.00 179.45 177.75 1ck0 h ASP 183 N 0.36 0.12 -0.50 4.20 3.04 -1.92 -2.88 116.42 118.83 1ck0 h ASP 183 Ca 0.19 -0.76 0.02 0.00 -3.24 0.00 0.00 57.03 53.24 1ck0 h ASP 183 Cb 0.31 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 38.54 1ck0 h ASP 183 CO -0.05 0.86 0.33 -0.08 -2.04 0.00 0.00 179.24 178.27 1ck0 h GLU 184 N -0.62 0.60 -0.61 4.15 4.22 -1.86 0.15 114.58 120.61 1ck0 h GLU 184 Ca -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 1ck0 h GLU 184 Cb 0.88 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1ck0 h GLU 184 CO 0.02 0.39 0.24 -0.92 -2.18 0.00 0.00 179.01 176.57 1ck0 h TYR 185 N 0.61 0.89 -0.04 0.92 5.03 -1.24 -2.07 116.97 121.07 1ck0 h TYR 185 Ca 0.19 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 1ck0 h TYR 185 Cb 0.02 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 1ck0 h TYR 185 CO -0.00 0.69 -0.21 0.93 -1.32 0.00 0.00 178.16 178.25 1ck0 h GLU 186 N 0.87 0.07 0.00 1.82 5.08 -0.48 -2.86 114.58 119.08 1ck0 h GLU 186 Ca 0.21 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ck0 h GLU 186 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ck0 h GLU 186 CO -0.02 0.28 0.00 0.54 -1.00 0.00 0.00 179.01 178.81 1ck0 n ARG 187 N -4.26 0.73 -4.02 2.33 1.74 -0.78 -4.85 116.66 107.56 1ck0 n ARG 187 Ca -0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 1ck0 n ARG 187 Cb 0.28 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 1ck0 n ARG 187 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ck0 s HIS 188 N -2.00 0.37 0.00 -1.55 3.76 -1.08 -5.11 115.29 109.68 1ck0 s HIS 188 Ca 0.20 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1ck0 s HIS 188 Cb 0.09 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.51 1ck0 s HIS 188 CO 0.15 -0.34 0.00 0.09 -0.85 0.00 0.00 174.74 173.79 1ck0 n ASN 189 N 0.58 0.00 -4.70 1.40 4.13 -1.26 -4.60 115.26 110.80 1ck0 n ASN 189 Ca -0.17 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.69 1ck0 n ASN 189 Cb 0.59 -0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.64 1ck0 n ASN 189 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1ck0 s SER 190 N -1.87 6.97 -0.05 6.41 0.15 -1.26 0.14 113.70 124.19 1ck0 s SER 190 Ca 0.00 1.17 0.01 0.00 0.70 0.00 0.00 55.95 57.83 1ck0 s SER 190 Cb 0.00 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1ck0 s SER 190 CO 0.00 -0.18 -0.06 -0.31 1.20 0.00 0.00 173.24 173.89 1ck0 s TYR 191 N 1.12 2.94 -0.00 3.44 2.02 0.15 -0.01 117.35 127.01 1ck0 s TYR 191 Ca 0.37 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1ck0 s TYR 191 Cb -0.17 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1ck0 s TYR 191 CO 0.17 0.35 -0.02 0.99 -1.57 0.00 0.00 175.55 175.47 1ck0 s THR 192 N -0.87 0.16 -0.24 -0.71 2.01 0.22 -1.85 115.64 114.36 1ck0 s THR 192 Ca 0.14 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 1ck0 s THR 192 Cb -0.11 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1ck0 s THR 192 CO 0.03 0.05 -0.04 0.00 -0.69 0.00 0.00 174.62 173.98 1ck0 s GLU 194 N 1.41 3.35 -0.09 0.00 2.12 0.14 -1.37 118.70 124.26 1ck0 s GLU 194 Ca 0.03 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.75 1ck0 s GLU 194 Cb -0.16 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.56 1ck0 s GLU 194 CO -0.03 0.28 -0.18 0.00 -0.54 0.00 0.00 175.26 174.78 1ck0 s ALA 195 N 0.19 1.80 -0.17 6.30 0.00 0.49 0.48 121.76 130.85 1ck0 s ALA 195 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ck0 s ALA 195 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ck0 s ALA 195 CO 0.04 0.14 -0.16 0.99 0.00 0.00 0.00 175.76 176.78 1ck0 s THR 196 N 0.60 2.50 -0.12 0.00 2.01 0.97 0.08 115.64 121.69 1ck0 s THR 196 Ca -0.14 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 1ck0 s THR 196 Cb -0.17 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1ck0 s THR 196 CO 0.05 0.51 0.32 -2.28 -0.69 0.00 0.00 174.62 172.52 1ck0 s HIS 197 N 1.09 -0.34 0.61 4.92 2.46 -1.26 -0.60 115.29 122.17 1ck0 s HIS 197 Ca -0.00 0.83 0.25 0.00 0.47 0.00 0.00 55.06 56.61 1ck0 s HIS 197 Cb -0.14 0.12 1.10 0.00 -0.13 0.00 0.00 32.58 33.52 1ck0 s HIS 197 CO -0.05 -0.17 1.54 1.57 -2.47 0.00 0.00 174.74 175.16 1ck0 h LYS 198 N 5.59 0.00 -0.99 2.88 2.10 -1.96 -2.42 116.57 121.76 1ck0 h LYS 198 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1ck0 h LYS 198 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1ck0 h LYS 198 CO 0.31 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.01 1ck0 n THR 199 N -3.29 0.39 -3.58 0.07 -2.24 -1.26 -4.74 114.28 99.64 1ck0 n THR 199 Ca 0.13 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1ck0 n THR 199 Cb 1.05 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 1ck0 n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ck0 s SER 200 N 0.38 -0.39 0.04 3.42 0.15 -0.91 -4.81 113.70 111.58 1ck0 s SER 200 Ca 0.00 0.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.01 1ck0 s SER 200 Cb 0.00 0.34 -0.31 0.00 -1.71 0.00 0.00 66.02 64.34 1ck0 s SER 200 CO 0.00 -0.35 1.01 0.74 1.20 0.00 0.00 173.24 175.83 1ck0 h THR 201 N 2.62 1.32 -4.03 6.45 2.02 -1.86 -3.44 112.91 115.99 1ck0 h THR 201 Ca -0.19 -2.87 -0.69 0.00 0.77 0.00 0.00 66.41 63.43 1ck0 h THR 201 Cb 1.16 2.92 -0.23 0.00 -1.74 0.00 0.00 68.15 70.27 1ck0 h THR 201 CO 0.31 0.85 -0.80 -0.44 0.37 0.00 0.00 175.52 175.81 1ck0 s SER 202 N -7.25 3.80 0.33 4.18 0.01 -1.26 -5.09 113.70 108.42 1ck0 s SER 202 Ca -0.07 -0.37 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1ck0 s SER 202 Cb 0.06 -0.65 -0.13 0.00 0.21 0.00 0.00 66.02 65.51 1ck0 s SER 202 CO 0.89 0.28 1.01 -2.65 0.41 0.00 0.00 173.24 173.19 1ck0 n PRO 203 N 1.79 1.38 -3.02 12.44 -0.02 -1.26 -4.93 135.00 141.39 1ck0 n PRO 203 Ca -0.16 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 1ck0 n PRO 203 Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1ck0 n PRO 203 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ck0 s ILE 204 N -1.14 4.82 -0.11 4.25 1.01 0.11 -4.85 121.20 125.29 1ck0 s ILE 204 Ca 0.60 0.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1ck0 s ILE 204 Cb -0.65 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 1ck0 s ILE 204 CO 0.59 -0.32 -0.02 0.68 0.00 0.00 0.00 174.94 175.87 1ck0 s VAL 205 N 2.89 4.09 -0.08 2.92 -7.23 -1.26 -0.38 120.40 121.36 1ck0 s VAL 205 Ca 0.29 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.14 1ck0 s VAL 205 Cb -0.14 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1ck0 s VAL 205 CO 0.15 0.57 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.93 1ck0 s LYS 206 N -0.46 0.94 0.31 4.82 3.01 -0.47 -5.00 119.74 122.89 1ck0 s LYS 206 Ca 0.08 -0.04 0.03 0.00 -1.01 0.00 0.00 55.97 55.03 1ck0 s LYS 206 Cb -0.12 -1.16 -0.06 0.00 -1.01 0.00 0.00 37.83 35.48 1ck0 s LYS 206 CO 0.02 -0.26 0.07 -1.12 0.51 0.00 0.00 175.35 174.57 1ck0 s SER 207 N 1.76 2.12 -0.29 2.83 0.01 -1.26 -0.99 113.70 117.89 1ck0 s SER 207 Ca 0.03 -1.39 -0.16 0.00 1.31 0.00 0.00 55.95 55.74 1ck0 s SER 207 Cb -0.13 -0.01 0.11 0.00 0.21 0.00 0.00 66.02 66.21 1ck0 s SER 207 CO -0.05 -0.65 0.81 0.72 0.41 0.00 0.00 173.24 174.48 1ck0 s PHE 208 N -3.40 -0.89 -0.04 2.43 -0.12 -0.77 -4.99 117.98 110.21 1ck0 s PHE 208 Ca 0.36 1.74 -0.14 0.00 -0.05 0.00 0.00 56.93 58.84 1ck0 s PHE 208 Cb 0.08 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1ck0 s PHE 208 CO 0.15 -0.44 0.36 1.21 -0.05 0.00 0.00 175.22 176.46 1ck0 s ASN 209 N 1.66 6.71 0.00 1.98 2.47 -1.26 -0.68 114.94 125.82 1ck0 s ASN 209 Ca -0.09 0.84 0.23 0.00 0.42 0.00 0.00 52.86 54.26 1ck0 s ASN 209 Cb -0.05 -2.22 1.38 0.00 -1.45 0.00 0.00 41.25 38.91 1ck0 s ASN 209 CO -0.18 0.29 1.75 -1.14 -3.72 0.00 0.00 177.10 174.10