#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck0 s VAL 2 N 0.00 2.31 -0.03 -0.39 1.01 -1.25 -3.66 120.40 118.39 1ck0 s VAL 2 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1ck0 s VAL 2 Cb 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1ck0 s VAL 2 CO 0.00 0.06 0.03 -1.58 0.00 0.00 0.00 175.10 173.60 1ck0 s GLN 3 N -1.23 0.09 -0.26 2.72 2.00 -0.32 -4.91 119.66 117.76 1ck0 s GLN 3 Ca 0.56 0.20 0.01 0.00 -2.00 0.00 0.00 55.36 54.13 1ck0 s GLN 3 Cb -0.45 -0.42 0.07 0.00 0.80 0.00 0.00 33.01 33.01 1ck0 s GLN 3 CO 0.53 -0.21 -0.01 -0.51 -0.50 0.00 0.00 175.29 174.60 1ck0 s LEU 4 N 1.37 2.68 -0.31 3.68 1.43 -1.25 -1.21 118.68 125.08 1ck0 s LEU 4 Ca -0.05 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 51.63 1ck0 s LEU 4 Cb -0.13 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1ck0 s LEU 4 CO -0.03 -0.29 0.08 -1.10 0.23 0.00 0.00 176.35 175.25 1ck0 s GLN 5 N 1.41 2.95 -0.14 1.70 1.11 -0.29 -3.93 119.66 122.46 1ck0 s GLN 5 Ca -0.01 -0.95 -0.07 0.00 0.01 0.00 0.00 55.36 54.34 1ck0 s GLN 5 Cb -0.18 -3.39 -0.04 0.00 -1.01 0.00 0.00 33.01 28.38 1ck0 s GLN 5 CO -0.10 -0.51 0.11 -1.83 0.01 0.00 0.00 175.29 172.98 1ck0 s GLU 6 N 1.47 3.59 0.18 2.91 1.03 -1.26 -1.26 118.70 125.36 1ck0 s GLU 6 Ca 0.01 -0.21 0.00 0.00 0.03 0.00 0.00 54.97 54.81 1ck0 s GLU 6 Cb -0.18 -3.19 -0.04 0.00 -0.80 0.00 0.00 34.13 29.92 1ck0 s GLU 6 CO 0.02 0.62 0.06 -1.54 -1.33 0.00 0.00 175.26 173.09 1ck0 s SER 7 N -0.59 0.79 0.00 0.83 1.04 -0.73 -4.73 113.70 110.31 1ck0 s SER 7 Ca 0.12 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1ck0 s SER 7 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1ck0 s SER 7 CO 0.02 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1ck0 n GLY 8 N -0.26 0.47 3.26 7.32 0.00 -1.26 -2.09 105.19 112.63 1ck0 n GLY 8 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1ck0 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ck0 n GLY 9 N -2.00 -3.14 0.00 -0.02 0.00 -1.26 -4.68 105.19 94.09 1ck0 n GLY 9 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1ck0 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ck0 n GLY 10 N -4.81 -0.56 3.69 -0.02 0.00 0.34 -4.95 105.19 98.88 1ck0 n GLY 10 Ca 0.14 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1ck0 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ck0 s LEU 11 N 0.00 4.22 0.05 0.99 2.96 -1.26 -0.40 118.68 125.24 1ck0 s LEU 11 Ca 0.00 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1ck0 s LEU 11 Cb 0.00 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 1ck0 s LEU 11 CO 0.00 -0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.13 1ck0 s VAL 12 N 1.24 0.53 0.24 1.68 1.01 0.24 -4.96 120.40 120.38 1ck0 s VAL 12 Ca 0.29 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1ck0 s VAL 12 Cb -0.16 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1ck0 s VAL 12 CO 0.12 -0.52 0.50 0.00 0.00 0.00 0.00 175.10 175.20 1ck0 s GLN 13 N -2.13 3.63 0.39 2.72 -2.07 -1.25 -1.10 119.66 119.84 1ck0 s GLN 13 Ca -0.05 -0.04 -0.25 0.00 -1.82 0.00 0.00 55.36 53.20 1ck0 s GLN 13 Cb -0.06 -2.71 -0.11 0.00 -1.09 0.00 0.00 33.01 29.03 1ck0 s GLN 13 CO -0.01 0.30 1.03 -2.30 -1.32 0.00 0.00 175.29 172.99 1ck0 n PRO 14 N -0.62 1.42 -0.90 9.60 -0.02 -1.26 -0.89 135.00 142.31 1ck0 n PRO 14 Ca -0.02 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ck0 n PRO 14 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1ck0 n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ck0 n ARG 15 N 0.29 -0.08 -0.58 -0.52 5.12 0.14 -4.93 116.66 116.10 1ck0 n ARG 15 Ca 0.09 0.02 -0.06 0.00 -1.93 0.00 0.00 57.85 55.97 1ck0 n ARG 15 Cb 0.38 -3.05 0.04 0.00 -1.16 0.00 0.00 32.46 28.66 1ck0 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ck0 n GLY 16 N -2.01 -0.71 3.03 -0.13 0.00 -0.07 -4.19 105.19 101.11 1ck0 n GLY 16 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1ck0 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ck0 s SER 17 N -2.01 0.58 0.06 1.61 1.04 -1.26 -1.07 113.70 112.65 1ck0 s SER 17 Ca 0.16 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1ck0 s SER 17 Cb -0.01 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1ck0 s SER 17 CO 0.11 -0.26 0.13 -0.22 0.98 0.00 0.00 173.24 173.98 1ck0 s LEU 18 N -1.57 1.69 -0.16 2.42 2.96 0.25 -4.99 118.68 119.29 1ck0 s LEU 18 Ca -0.12 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1ck0 s LEU 18 Cb -0.09 0.77 0.05 0.00 0.50 0.00 0.00 46.19 47.41 1ck0 s LEU 18 CO -0.00 -0.62 0.01 -0.75 -1.32 0.00 0.00 176.35 173.67 1ck0 s LYS 19 N -3.29 0.80 0.30 1.98 2.20 -1.26 0.51 119.74 120.97 1ck0 s LYS 19 Ca 0.01 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.21 1ck0 s LYS 19 Cb 0.03 -1.79 -0.07 0.00 -1.51 0.00 0.00 37.83 34.49 1ck0 s LYS 19 CO -0.08 -0.51 0.64 -0.51 -0.36 0.00 0.00 175.35 174.53 1ck0 s LEU 20 N 1.84 4.04 0.07 5.43 1.43 -0.33 -4.73 118.68 126.44 1ck0 s LEU 20 Ca 0.01 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1ck0 s LEU 20 Cb -0.15 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 1ck0 s LEU 20 CO -0.07 -0.20 -0.07 -0.94 0.23 0.00 0.00 176.35 175.29 1ck0 s SER 21 N -2.69 1.04 -0.01 2.29 1.04 -0.89 -1.59 113.70 112.88 1ck0 s SER 21 Ca 0.49 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1ck0 s SER 21 Cb -0.11 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1ck0 s SER 21 CO 0.24 -0.34 -0.03 0.00 0.98 0.00 0.00 173.24 174.09 1ck0 s ALA 23 N 0.29 2.90 0.04 0.00 0.00 -0.39 -1.22 121.76 123.38 1ck0 s ALA 23 Ca -0.03 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1ck0 s ALA 23 Cb -0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1ck0 s ALA 23 CO -0.01 -0.29 0.05 0.00 0.00 0.00 0.00 175.76 175.52 1ck0 s ALA 24 N 1.24 3.47 0.19 0.00 0.00 -0.43 -1.14 121.76 125.08 1ck0 s ALA 24 Ca 0.03 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1ck0 s ALA 24 Cb -0.14 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1ck0 s ALA 24 CO -0.00 0.71 0.50 -1.12 0.00 0.00 0.00 175.76 175.84 1ck0 s SER 25 N -2.02 -0.25 -0.50 0.00 0.01 -0.35 -4.86 113.70 105.73 1ck0 s SER 25 Ca 0.25 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1ck0 s SER 25 Cb -0.12 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1ck0 s SER 25 CO 0.17 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1ck0 n GLY 26 N -0.32 0.74 3.61 3.44 0.00 -1.24 -1.18 105.19 110.24 1ck0 n GLY 26 Ca -0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 1ck0 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ck0 s PHE 27 N -2.12 -0.21 -0.80 1.61 -0.12 -1.26 -4.14 117.98 110.94 1ck0 s PHE 27 Ca 0.00 0.03 -0.25 0.00 -0.05 0.00 0.00 56.93 56.66 1ck0 s PHE 27 Cb 0.00 0.57 0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1ck0 s PHE 27 CO 0.00 -0.57 1.27 0.95 -0.05 0.00 0.00 175.22 176.82 1ck0 s THR 28 N -3.01 3.90 0.26 -4.49 -4.23 -1.26 -4.85 115.64 101.95 1ck0 s THR 28 Ca 0.09 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1ck0 s THR 28 Cb -0.00 -4.91 0.25 0.00 1.34 0.00 0.00 72.50 69.18 1ck0 s THR 28 CO -0.04 -1.81 1.89 0.15 -0.54 0.00 0.00 174.62 174.28 1ck0 h PHE 29 N 9.85 1.18 0.00 3.99 3.57 -1.94 -2.71 116.94 130.89 1ck0 h PHE 29 Ca -0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ck0 h PHE 29 Cb 1.04 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1ck0 h PHE 29 CO 1.14 0.66 0.00 0.27 -2.23 0.00 0.00 178.31 178.15 1ck0 n ASN 30 N -4.48 0.53 -0.09 0.41 6.94 -1.26 -2.72 115.26 114.59 1ck0 n ASN 30 Ca 0.14 0.73 -0.09 0.00 -0.02 0.00 0.00 54.58 55.34 1ck0 n ASN 30 Cb 0.12 -0.81 -0.14 0.00 -2.36 0.00 0.00 39.78 36.60 1ck0 n ASN 30 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1ck0 n THR 31 N -2.19 1.23 -2.76 5.53 -2.24 -1.02 -4.40 114.28 108.42 1ck0 n THR 31 Ca -0.01 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 1ck0 n THR 31 Cb 0.05 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.76 1ck0 n THR 31 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ck0 s ASP 32 N -5.22 5.99 0.08 3.42 1.01 -1.10 -4.67 116.67 116.19 1ck0 s ASP 32 Ca -0.09 0.66 -0.14 0.00 0.71 0.00 0.00 52.55 53.69 1ck0 s ASP 32 Cb 0.05 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 42.01 1ck0 s ASP 32 CO 0.73 -0.69 0.47 0.00 0.21 0.00 0.00 175.17 175.90 1ck0 s ALA 33 N -2.70 3.65 0.07 5.23 0.00 -1.26 -4.22 121.76 122.52 1ck0 s ALA 33 Ca 0.48 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.33 1ck0 s ALA 33 Cb -0.10 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1ck0 s ALA 33 CO 0.42 0.49 -0.26 -1.64 0.00 0.00 0.00 175.76 174.77 1ck0 s MET 34 N -1.65 1.63 0.37 0.00 -1.94 -0.76 -1.47 119.30 115.48 1ck0 s MET 34 Ca 0.32 -1.16 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 1ck0 s MET 34 Cb -0.16 -1.89 -0.05 0.00 2.01 0.00 0.00 34.83 34.74 1ck0 s MET 34 CO 0.17 0.48 0.06 -0.80 -0.01 0.00 0.00 175.02 174.92 1ck0 s ASN 35 N -1.46 2.80 -0.06 3.03 0.01 0.15 -1.13 114.94 118.27 1ck0 s ASN 35 Ca 0.12 -1.45 -0.01 0.00 -0.71 0.00 0.00 52.86 50.80 1ck0 s ASN 35 Cb -0.10 0.03 0.03 0.00 0.41 0.00 0.00 41.25 41.62 1ck0 s ASN 35 CO 0.03 -0.66 -0.00 0.26 -1.51 0.00 0.00 177.10 175.22 1ck0 s TRP 36 N -3.17 0.62 -0.00 2.20 0.52 -0.12 -1.23 118.94 117.78 1ck0 s TRP 36 Ca 0.32 -0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.36 1ck0 s TRP 36 Cb 0.07 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1ck0 s TRP 36 CO 0.15 -0.29 -0.21 0.08 0.02 0.00 0.00 176.95 176.69 1ck0 s VAL 37 N 1.79 1.67 0.18 4.03 1.01 -0.83 0.01 120.40 128.25 1ck0 s VAL 37 Ca 0.02 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1ck0 s VAL 37 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1ck0 s VAL 37 CO -0.04 0.41 -0.18 0.00 0.00 0.00 0.00 175.10 175.29 1ck0 s ARG 38 N -0.66 1.31 -0.19 2.72 1.70 -0.29 -0.23 118.95 123.32 1ck0 s ARG 38 Ca 0.08 -1.46 -0.00 0.00 -0.47 0.00 0.00 55.73 53.88 1ck0 s ARG 38 Cb -0.08 -1.34 0.05 0.00 -0.57 0.00 0.00 34.95 33.01 1ck0 s ARG 38 CO -0.00 0.26 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.30 1ck0 s GLN 39 N -2.97 1.39 0.49 3.89 0.74 0.48 -0.68 119.66 123.01 1ck0 s GLN 39 Ca 0.18 -0.66 -0.21 0.00 0.05 0.00 0.00 55.36 54.72 1ck0 s GLN 39 Cb -0.05 -2.21 -0.07 0.00 1.10 0.00 0.00 33.01 31.77 1ck0 s GLN 39 CO 0.07 -0.51 1.11 0.00 -0.55 0.00 0.00 175.29 175.41 1ck0 s ALA 40 N 1.59 2.85 -0.18 1.58 0.00 -1.25 -0.53 121.76 125.81 1ck0 s ALA 40 Ca -0.02 0.79 -0.37 0.00 0.00 0.00 0.00 51.96 52.36 1ck0 s ALA 40 Cb -0.17 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 1ck0 s ALA 40 CO -0.07 -0.57 1.83 -2.30 0.00 0.00 0.00 175.76 174.65 1ck0 n PRO 41 N -0.88 1.70 -3.12 0.00 -0.02 -1.26 -0.82 135.00 130.60 1ck0 n PRO 41 Ca 0.09 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1ck0 n PRO 41 Cb 0.50 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1ck0 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ck0 n GLY 42 N 4.38 0.00 3.38 -1.23 0.00 -1.26 -5.02 105.19 105.45 1ck0 n GLY 42 Ca 0.25 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1ck0 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ck0 s LYS 43 N -5.62 1.76 0.00 1.61 -0.14 0.00 -5.17 119.74 112.18 1ck0 s LYS 43 Ca 0.29 -1.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 1ck0 s LYS 43 Cb -0.13 0.38 0.00 0.00 -1.68 0.00 0.00 37.83 36.40 1ck0 s LYS 43 CO 0.45 -0.69 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 1ck0 n GLY 44 N -0.55 0.10 3.88 -3.33 0.00 -1.26 -4.67 105.19 99.37 1ck0 n GLY 44 Ca 0.03 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1ck0 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ck0 s LEU 45 N 0.00 3.88 -0.11 0.99 1.43 -1.26 -3.92 118.68 119.69 1ck0 s LEU 45 Ca 0.00 1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 54.09 1ck0 s LEU 45 Cb 0.00 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.38 1ck0 s LEU 45 CO 0.00 -0.35 0.18 -0.70 0.23 0.00 0.00 176.35 175.71 1ck0 s GLU 46 N -3.79 0.07 0.23 1.70 2.12 0.15 -4.99 118.70 114.19 1ck0 s GLU 46 Ca 0.49 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.01 1ck0 s GLU 46 Cb -0.10 -0.48 -0.10 0.00 0.26 0.00 0.00 34.13 33.71 1ck0 s GLU 46 CO 0.31 -0.38 1.49 -0.46 -0.54 0.00 0.00 175.26 175.68 1ck0 s TRP 47 N 2.30 3.00 -0.15 5.30 -0.00 -1.26 -1.14 118.94 127.00 1ck0 s TRP 47 Ca 0.03 0.89 -0.15 0.00 -0.00 0.00 0.00 56.10 56.88 1ck0 s TRP 47 Cb -0.13 -3.88 -0.06 0.00 -0.00 0.00 0.00 33.47 29.41 1ck0 s TRP 47 CO -0.07 -2.98 -0.30 0.28 -0.00 0.00 0.00 176.95 173.88 1ck0 n VAL 48 N 2.76 1.44 -3.82 5.86 0.31 0.10 -4.69 118.33 120.29 1ck0 n VAL 48 Ca 0.09 0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 1ck0 n VAL 48 Cb 0.39 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.08 1ck0 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ck0 s ALA 49 N -2.74 -0.66 -0.15 3.52 0.00 -0.99 -1.52 121.76 119.23 1ck0 s ALA 49 Ca -0.25 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1ck0 s ALA 49 Cb 0.04 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1ck0 s ALA 49 CO 0.37 -0.78 0.39 0.50 0.00 0.00 0.00 175.76 176.24 1ck0 s ARG 50 N -3.91 0.46 -0.08 0.00 3.52 -0.21 -0.94 118.95 117.78 1ck0 s ARG 50 Ca 0.12 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1ck0 s ARG 50 Cb -0.00 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1ck0 s ARG 50 CO -0.01 -0.06 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.87 1ck0 s ILE 51 N 0.25 0.80 0.84 4.11 2.07 -0.28 -0.14 121.20 128.84 1ck0 s ILE 51 Ca -0.00 -0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 58.93 1ck0 s ILE 51 Cb -0.03 -0.84 0.10 0.00 0.13 0.00 0.00 42.46 41.82 1ck0 s ILE 51 CO 0.00 0.32 1.18 -0.13 -1.91 0.00 0.00 174.94 174.40 1ck0 s ARG 52 N 1.49 1.75 0.94 3.50 0.52 0.11 -1.82 118.95 125.43 1ck0 s ARG 52 Ca -0.00 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.18 1ck0 s ARG 52 Cb -0.13 -1.93 0.16 0.00 0.52 0.00 0.00 34.95 33.57 1ck0 s ARG 52 CO -0.04 -1.74 1.14 -1.54 0.02 0.00 0.00 175.30 173.13 1ck0 s SER 52 N -4.52 3.22 0.49 0.23 1.04 -1.26 -3.96 113.70 108.94 1ck0 s SER 52 Ca 0.63 0.95 0.18 0.00 0.48 0.00 0.00 55.95 58.19 1ck0 s SER 52 Cb -0.11 -1.50 1.20 0.00 0.10 0.00 0.00 66.02 65.71 1ck0 s SER 52 CO 0.50 -2.73 2.03 0.50 0.98 0.00 0.00 173.24 174.52 1ck0 h LYS 52 N -1.62 0.18 0.00 4.02 1.63 -1.92 0.11 116.57 118.97 1ck0 h LYS 52 Ca -0.51 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1ck0 h LYS 52 Cb 1.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1ck0 h LYS 52 CO 0.59 0.12 0.07 0.78 -3.45 0.00 0.00 179.45 177.55 1ck0 h GLY 52 N 0.18 0.00 -2.75 5.01 0.00 -1.91 0.14 103.07 103.73 1ck0 h GLY 52 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 1ck0 h GLY 52 CO -0.03 0.00 -0.76 0.69 0.00 0.00 0.00 176.54 176.44 1ck0 n PHE 53 N -3.00 1.06 -4.08 5.60 3.01 0.34 -4.99 117.46 115.39 1ck0 n PHE 53 Ca -0.03 -1.66 -0.31 0.00 1.01 0.00 0.00 57.45 56.46 1ck0 n PHE 53 Cb 0.13 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1ck0 n PHE 53 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ck0 n ASN 54 N -0.68 -2.36 -4.07 4.37 3.02 0.47 -2.26 115.26 113.76 1ck0 n ASN 54 Ca 0.24 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.50 1ck0 n ASN 54 Cb 0.86 -3.03 -0.02 0.00 -0.61 0.00 0.00 39.78 36.99 1ck0 n ASN 54 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ck0 n PHE 55 N -4.43 -1.77 -1.98 3.10 3.72 -0.89 -4.86 117.46 110.35 1ck0 n PHE 55 Ca -0.08 0.79 -0.42 0.00 -0.05 0.00 0.00 57.45 57.69 1ck0 n PHE 55 Cb 0.57 -3.41 -0.03 0.00 -0.94 0.00 0.00 39.48 35.67 1ck0 n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ck0 s ALA 56 N -3.57 3.70 0.03 4.37 0.00 -0.96 -4.61 121.76 120.71 1ck0 s ALA 56 Ca 0.42 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.66 1ck0 s ALA 56 Cb -0.23 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1ck0 s ALA 56 CO 0.90 -0.93 -0.08 0.95 0.00 0.00 0.00 175.76 176.60 1ck0 s THR 57 N 1.95 3.55 0.03 0.00 -4.23 -1.26 0.04 115.64 115.73 1ck0 s THR 57 Ca 0.71 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1ck0 s THR 57 Cb -0.40 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1ck0 s THR 57 CO 0.31 0.33 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.33 1ck0 s TYR 58 N -1.04 0.72 0.06 3.99 2.02 0.80 -4.99 117.35 118.91 1ck0 s TYR 58 Ca 0.18 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1ck0 s TYR 58 Cb -0.11 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1ck0 s TYR 58 CO 0.09 -0.04 -0.10 0.71 -1.57 0.00 0.00 175.55 174.64 1ck0 s TYR 59 N -0.88 0.90 0.76 2.71 2.02 -1.26 -1.04 117.35 120.57 1ck0 s TYR 59 Ca -0.04 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 1ck0 s TYR 59 Cb -0.07 -0.52 0.05 0.00 -0.40 0.00 0.00 41.96 41.02 1ck0 s TYR 59 CO 0.00 -0.03 1.09 0.00 -1.57 0.00 0.00 175.55 175.04 1ck0 s ALA 60 N -1.59 2.29 0.18 3.71 0.00 -0.58 -4.79 121.76 120.98 1ck0 s ALA 60 Ca -0.04 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1ck0 s ALA 60 Cb -0.08 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1ck0 s ALA 60 CO 0.01 -1.72 1.83 -0.44 0.00 0.00 0.00 175.76 175.44 1ck0 h ASP 61 N -1.08 0.59 0.32 0.00 3.45 -1.94 -1.24 116.42 116.52 1ck0 h ASP 61 Ca -0.44 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1ck0 h ASP 61 Cb 1.23 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1ck0 h ASP 61 CO 0.52 0.42 0.00 -1.54 -1.57 0.00 0.00 179.24 177.07 1ck0 n SER 62 N -4.74 0.00 0.00 6.45 3.41 -1.26 -3.03 113.62 114.46 1ck0 n SER 62 Ca 0.04 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1ck0 n SER 62 Cb 0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1ck0 n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ck0 n VAL 63 N -1.46 0.00 -1.65 -3.33 3.14 -0.99 -5.04 118.33 109.01 1ck0 n VAL 63 Ca 0.03 -0.31 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 1ck0 n VAL 63 Cb 0.11 0.88 0.00 0.00 -1.06 0.00 0.00 33.84 33.78 1ck0 n VAL 63 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1ck0 n ARG 64 N -0.85 1.69 -0.48 1.45 0.63 -0.50 -2.14 116.66 116.45 1ck0 n ARG 64 Ca 0.00 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1ck0 n ARG 64 Cb 0.00 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1ck0 n ARG 64 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ck0 n ASP 65 N 0.69 0.00 -0.03 6.15 10.43 -1.26 -4.64 116.55 127.89 1ck0 n ASP 65 Ca 0.07 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.42 1ck0 n ASP 65 Cb 0.37 -1.11 -0.06 0.00 1.84 0.00 0.00 41.12 42.16 1ck0 n ASP 65 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1ck0 n ARG 66 N -2.00 2.13 -4.14 -1.24 1.74 -0.91 -5.03 116.66 107.21 1ck0 n ARG 66 Ca 0.00 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1ck0 n ARG 66 Cb 0.00 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 1ck0 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ck0 s PHE 67 N -2.28 3.03 -0.29 -1.55 0.40 -1.04 -1.85 117.98 114.41 1ck0 s PHE 67 Ca -0.04 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1ck0 s PHE 67 Cb 0.03 -1.37 0.12 0.00 0.51 0.00 0.00 43.02 42.31 1ck0 s PHE 67 CO 0.32 0.53 0.24 0.99 0.70 0.00 0.00 175.22 178.01 1ck0 s THR 68 N -2.17 -0.30 0.27 0.64 2.01 0.18 -4.96 115.64 111.30 1ck0 s THR 68 Ca 0.33 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 1ck0 s THR 68 Cb -0.08 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.36 1ck0 s THR 68 CO 0.24 -0.55 0.86 -0.51 -0.69 0.00 0.00 174.62 173.97 1ck0 s ILE 69 N 2.28 4.32 0.36 1.82 2.07 -1.26 -1.73 121.20 129.06 1ck0 s ILE 69 Ca 0.09 1.68 -0.12 0.00 -1.41 0.00 0.00 60.65 60.89 1ck0 s ILE 69 Cb -0.15 -4.01 0.03 0.00 0.13 0.00 0.00 42.46 38.47 1ck0 s ILE 69 CO -0.34 0.24 0.68 -0.94 -1.91 0.00 0.00 174.94 172.67 1ck0 s SER 70 N -1.53 0.22 0.12 4.50 1.04 -1.12 -5.00 113.70 111.94 1ck0 s SER 70 Ca 0.45 -1.18 -0.19 0.00 0.48 0.00 0.00 55.95 55.52 1ck0 s SER 70 Cb -0.19 0.77 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1ck0 s SER 70 CO 0.24 -1.52 0.47 0.00 0.98 0.00 0.00 173.24 173.41 1ck0 s ARG 71 N -2.76 1.12 -0.38 4.02 1.70 -1.26 -1.47 118.95 119.92 1ck0 s ARG 71 Ca 0.19 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.89 1ck0 s ARG 71 Cb -0.04 0.50 0.12 0.00 -0.57 0.00 0.00 34.95 34.97 1ck0 s ARG 71 CO 0.13 -0.45 0.18 0.34 -1.08 0.00 0.00 175.30 174.42 1ck0 s ASP 72 N -2.66 3.68 0.62 -2.89 -1.08 0.06 -4.98 116.67 109.42 1ck0 s ASP 72 Ca 0.01 -2.19 0.35 0.00 -0.52 0.00 0.00 52.55 50.19 1ck0 s ASP 72 Cb 0.01 -0.87 1.98 0.00 -1.46 0.00 0.00 42.92 42.58 1ck0 s ASP 72 CO -0.11 -0.33 2.24 0.44 0.52 0.00 0.00 175.17 177.93 1ck0 h ASP 73 N 7.27 0.00 0.21 -0.34 3.45 -1.96 0.69 116.42 125.74 1ck0 h ASP 73 Ca -0.05 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.29 1ck0 h ASP 73 Cb 0.97 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 1ck0 h ASP 73 CO 0.44 0.00 -0.47 0.28 -1.57 0.00 0.00 179.24 177.93 1ck0 h SER 74 N 0.00 0.33 -0.03 6.45 0.02 -1.95 -3.21 113.55 115.16 1ck0 h SER 74 Ca 0.02 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ck0 h SER 74 Cb 0.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ck0 h SER 74 CO -0.00 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 1ck0 n GLN 75 N -3.98 0.80 -3.64 3.45 1.13 -0.63 -4.98 117.38 109.53 1ck0 n GLN 75 Ca -0.02 -1.27 -0.24 0.00 -1.94 0.00 0.00 57.00 53.53 1ck0 n GLN 75 Cb 0.53 -1.24 0.07 0.00 0.11 0.00 0.00 30.24 29.71 1ck0 n GLN 75 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ck0 n SER 76 N 0.68 -5.67 -4.45 1.08 7.64 0.14 -4.80 113.62 108.24 1ck0 n SER 76 Ca 0.07 -0.59 -0.33 0.00 1.01 0.00 0.00 58.87 59.04 1ck0 n SER 76 Cb 0.31 -4.85 -0.13 0.00 -1.01 0.00 0.00 64.21 58.53 1ck0 n SER 76 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ck0 s MET 77 N -6.28 2.71 -0.00 1.43 -1.94 -0.95 -1.32 119.30 112.96 1ck0 s MET 77 Ca 0.54 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.89 1ck0 s MET 77 Cb -0.24 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1ck0 s MET 77 CO 0.75 0.53 -0.19 -1.17 -0.01 0.00 0.00 175.02 174.92 1ck0 s LEU 78 N -0.47 2.50 0.25 -0.03 2.96 -0.35 -0.76 118.68 122.76 1ck0 s LEU 78 Ca 0.06 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1ck0 s LEU 78 Cb -0.12 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1ck0 s LEU 78 CO 0.02 0.30 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.97 1ck0 s TYR 79 N -0.78 1.78 -0.30 5.38 2.02 -0.54 0.26 117.35 125.17 1ck0 s TYR 79 Ca 0.12 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1ck0 s TYR 79 Cb -0.10 -0.97 0.13 0.00 -0.40 0.00 0.00 41.96 40.62 1ck0 s TYR 79 CO 0.02 0.23 0.28 -1.17 -1.57 0.00 0.00 175.55 173.34 1ck0 s LEU 80 N -3.37 -0.11 -0.27 -1.29 2.96 -0.62 -2.79 118.68 113.18 1ck0 s LEU 80 Ca 0.27 -0.89 -0.24 0.00 -0.22 0.00 0.00 54.13 53.05 1ck0 s LEU 80 Cb 0.03 0.39 -0.00 0.00 0.50 0.00 0.00 46.19 47.10 1ck0 s LEU 80 CO 0.09 -0.39 0.81 -1.58 -1.32 0.00 0.00 176.35 173.96 1ck0 s GLN 81 N 2.26 4.08 -0.18 1.98 2.00 -0.70 -1.18 119.66 127.92 1ck0 s GLN 81 Ca 0.10 0.77 -0.03 0.00 -2.00 0.00 0.00 55.36 54.19 1ck0 s GLN 81 Cb -0.14 -3.68 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 1ck0 s GLN 81 CO -0.31 -0.59 -0.04 -1.64 -0.50 0.00 0.00 175.29 172.20 1ck0 s MET 82 N 2.90 3.55 0.21 1.67 -1.94 0.18 -0.65 119.30 125.23 1ck0 s MET 82 Ca 0.34 -0.57 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1ck0 s MET 82 Cb -0.15 -2.93 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 1ck0 s MET 82 CO 0.10 0.09 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.31 1ck0 s ASN 83 N 0.74 2.29 -1.52 3.03 -0.87 -0.77 -0.58 114.94 117.26 1ck0 s ASN 83 Ca -0.02 -1.09 -0.07 0.00 -1.57 0.00 0.00 52.86 50.11 1ck0 s ASN 83 Cb -0.15 -0.09 0.06 0.00 -0.02 0.00 0.00 41.25 41.06 1ck0 s ASN 83 CO 0.02 -0.31 0.58 0.59 -2.57 0.00 0.00 177.10 175.41 1ck0 n ASN 84 N -0.38 -1.62 -4.68 -1.22 4.13 -1.09 -4.72 115.26 105.68 1ck0 n ASN 84 Ca -0.07 -1.00 -0.43 0.00 1.68 0.00 0.00 54.58 54.76 1ck0 n ASN 84 Cb 0.62 -2.99 -0.01 0.00 -1.54 0.00 0.00 39.78 35.86 1ck0 n ASN 84 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ck0 n LEU 85 N -4.42 3.27 -4.46 3.41 4.77 -0.24 -4.65 117.00 114.68 1ck0 n LEU 85 Ca -0.16 1.20 -0.25 0.00 -0.03 0.00 0.00 56.01 56.77 1ck0 n LEU 85 Cb 0.61 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1ck0 n LEU 85 CO 0.79 -0.62 -0.49 -0.54 -1.33 0.00 0.00 177.39 175.20 1ck0 s LYS 86 N -1.77 1.65 0.57 3.23 1.02 -1.26 0.26 119.74 123.43 1ck0 s LYS 86 Ca 0.56 -1.65 0.31 0.00 0.02 0.00 0.00 55.97 55.21 1ck0 s LYS 86 Cb -0.59 -1.82 1.73 0.00 -0.52 0.00 0.00 37.83 36.62 1ck0 s LYS 86 CO 0.61 0.36 2.18 1.15 -0.92 0.00 0.00 175.35 178.74 1ck0 h THR 87 N 2.64 0.45 -0.00 2.17 2.02 -1.95 -1.91 112.91 116.33 1ck0 h THR 87 Ca -0.43 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1ck0 h THR 87 Cb 1.24 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1ck0 h THR 87 CO 0.55 0.05 -0.05 -0.33 0.37 0.00 0.00 175.52 176.11 1ck0 h GLU 88 N 0.00 0.00 0.00 6.66 3.07 -1.95 -2.11 114.58 120.25 1ck0 h GLU 88 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ck0 h GLU 88 Cb 0.17 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1ck0 h GLU 88 CO 0.01 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 1ck0 n ASP 89 N -4.48 0.00 -4.76 1.42 8.00 -0.72 -4.80 116.55 111.21 1ck0 n ASP 89 Ca -0.03 -1.04 -0.40 0.00 0.71 0.00 0.00 54.79 54.03 1ck0 n ASP 89 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1ck0 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ck0 s THR 90 N -2.00 3.08 -5.00 -3.53 2.01 -0.79 -4.88 115.64 104.53 1ck0 s THR 90 Ca 0.11 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.20 1ck0 s THR 90 Cb 0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1ck0 s THR 90 CO 0.09 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1ck0 n GLY 91 N 0.99 -1.13 3.80 4.40 0.00 -0.52 -4.25 105.19 108.48 1ck0 n GLY 91 Ca -0.01 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1ck0 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ck0 s ILE 92 N -2.39 5.38 -0.16 -0.61 1.01 0.32 -1.14 121.20 123.60 1ck0 s ILE 92 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1ck0 s ILE 92 Cb 0.00 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1ck0 s ILE 92 CO 0.00 0.55 -0.04 -0.31 0.00 0.00 0.00 174.94 175.13 1ck0 s TYR 93 N -0.45 3.00 -0.06 3.97 1.51 -0.46 -0.39 117.35 124.48 1ck0 s TYR 93 Ca 0.12 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1ck0 s TYR 93 Cb -0.12 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1ck0 s TYR 93 CO 0.02 -0.10 -0.12 0.71 -1.11 0.00 0.00 175.55 174.95 1ck0 s TYR 94 N 0.47 2.78 -0.20 2.71 1.51 0.69 -1.00 117.35 124.31 1ck0 s TYR 94 Ca -0.04 -0.14 -0.18 0.00 -1.01 0.00 0.00 57.07 55.70 1ck0 s TYR 94 Cb -0.14 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1ck0 s TYR 94 CO 0.03 0.20 0.52 0.00 -1.11 0.00 0.00 175.55 175.19 1ck0 s VAL 96 N 1.60 0.86 0.09 0.00 1.01 -0.36 -0.66 120.40 122.93 1ck0 s VAL 96 Ca 0.24 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1ck0 s VAL 96 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1ck0 s VAL 96 CO 0.10 0.32 1.01 -0.60 0.00 0.00 0.00 175.10 175.93 1ck0 s ARG 97 N 1.39 4.62 -0.38 2.72 3.52 0.63 0.30 118.95 131.75 1ck0 s ARG 97 Ca -0.02 1.52 0.06 0.00 -0.13 0.00 0.00 55.73 57.16 1ck0 s ARG 97 Cb -0.14 -3.38 0.17 0.00 -1.56 0.00 0.00 34.95 30.05 1ck0 s ARG 97 CO -0.04 0.08 0.53 0.20 -0.81 0.00 0.00 175.30 175.26 1ck0 s GLY 98 N 0.33 -0.82 0.46 8.12 0.00 -0.54 -1.26 107.32 113.60 1ck0 s GLY 98 Ca 0.50 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.88 1ck0 s GLY 98 CO 0.30 3.33 1.43 0.54 0.00 0.00 0.00 173.10 178.70 1ck0 n ARG 99 N 4.53 2.22 -1.68 2.90 1.74 -1.25 -4.30 116.66 120.82 1ck0 n ARG 99 Ca 0.10 0.79 -0.46 0.00 -0.77 0.00 0.00 57.85 57.51 1ck0 n ARG 99 Cb 0.52 -2.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.29 1ck0 n ARG 99 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ck0 n ASP 100 N -0.25 3.45 0.00 0.55 8.00 -1.26 -2.34 116.55 124.71 1ck0 n ASP 100 Ca 0.06 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1ck0 n ASP 100 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1ck0 n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ck0 n GLY 101 N 3.94 3.26 0.00 0.44 0.00 -1.26 -4.97 105.19 106.60 1ck0 n GLY 101 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ck0 n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ck0 n GLU 102 N -1.89 0.00 -4.11 1.61 2.13 -0.99 -5.16 120.64 112.23 1ck0 n GLU 102 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1ck0 n GLU 102 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1ck0 n GLU 102 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ck0 s ALA 103 N -3.10 0.97 -0.71 4.31 0.00 -1.26 -5.00 121.76 116.96 1ck0 s ALA 103 Ca 0.00 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 1ck0 s ALA 103 Cb 0.00 1.19 0.04 0.00 0.00 0.00 0.00 23.12 24.35 1ck0 s ALA 103 CO 0.00 -0.78 1.21 -1.64 0.00 0.00 0.00 175.76 174.55 1ck0 s MET 104 N -2.97 3.19 0.00 0.00 -1.94 -1.26 -3.86 119.30 112.46 1ck0 s MET 104 Ca 0.32 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 1ck0 s MET 104 Cb -0.00 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.66 1ck0 s MET 104 CO 0.22 -2.05 0.76 -0.25 -0.01 0.00 0.00 175.02 173.70 1ck0 n ASP 105 N 8.98 0.00 -4.37 3.03 10.43 -0.39 -4.90 116.55 129.33 1ck0 n ASP 105 Ca 0.02 0.80 -0.32 0.00 2.57 0.00 0.00 54.79 57.87 1ck0 n ASP 105 Cb 0.48 -0.36 -0.15 0.00 1.84 0.00 0.00 41.12 42.93 1ck0 n ASP 105 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1ck0 s TYR 106 N -2.25 2.47 0.15 1.24 1.51 -1.21 -4.97 117.35 114.29 1ck0 s TYR 106 Ca 0.00 -0.34 0.11 0.00 -1.01 0.00 0.00 57.07 55.83 1ck0 s TYR 106 Cb 0.00 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1ck0 s TYR 106 CO 0.00 0.04 -0.26 -1.58 -1.11 0.00 0.00 175.55 172.64 1ck0 s TRP 107 N -0.64 2.32 0.00 2.71 0.52 -1.26 -0.27 118.94 122.32 1ck0 s TRP 107 Ca 0.10 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1ck0 s TRP 107 Cb -0.10 -1.22 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1ck0 s TRP 107 CO -0.00 0.39 0.00 0.41 0.02 0.00 0.00 176.95 177.77 1ck0 n GLY 108 N 0.71 -0.17 0.12 0.98 0.00 0.16 -4.83 105.19 102.16 1ck0 n GLY 108 Ca -0.16 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 1ck0 n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ck0 h GLN 109 N 0.00 0.33 0.00 1.61 7.50 -1.91 -3.45 115.11 119.19 1ck0 h GLN 109 Ca 0.00 -0.57 0.00 0.00 0.50 0.00 0.00 58.65 58.58 1ck0 h GLN 109 Cb 0.00 0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1ck0 h GLN 109 CO 0.00 1.27 0.00 0.41 -1.50 0.00 0.00 178.83 179.01 1ck0 n GLY 110 N 1.58 2.57 2.91 3.46 0.00 -1.26 -4.98 105.19 109.48 1ck0 n GLY 110 Ca -0.11 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 1ck0 n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ck0 s THR 111 N -2.78 0.56 0.29 2.61 -1.32 -0.17 -4.82 115.64 110.01 1ck0 s THR 111 Ca 0.00 -0.16 -0.28 0.00 -1.21 0.00 0.00 61.69 60.04 1ck0 s THR 111 Cb 0.00 -0.57 -0.09 0.00 -1.51 0.00 0.00 72.50 70.32 1ck0 s THR 111 CO 0.00 0.22 0.97 -0.89 -2.21 0.00 0.00 174.62 172.71 1ck0 s THR 112 N 0.78 4.03 -0.05 5.08 2.01 -1.26 -1.35 115.64 124.87 1ck0 s THR 112 Ca -0.11 1.85 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1ck0 s THR 112 Cb -0.13 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.30 1ck0 s THR 112 CO 0.00 0.29 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.99 1ck0 s LEU 113 N -1.70 1.03 -0.10 4.42 1.98 -0.29 -0.51 118.68 123.51 1ck0 s LEU 113 Ca 0.47 -0.08 0.03 0.00 -2.89 0.00 0.00 54.13 51.66 1ck0 s LEU 113 Cb -0.23 -0.38 0.00 0.00 0.66 0.00 0.00 46.19 46.24 1ck0 s LEU 113 CO 0.29 -0.11 -0.22 -0.89 -1.89 0.00 0.00 176.35 173.53 1ck0 s THR 114 N 1.30 1.94 -0.32 3.68 2.01 0.46 -1.44 115.64 123.27 1ck0 s THR 114 Ca -0.05 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1ck0 s THR 114 Cb -0.13 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.74 1ck0 s THR 114 CO -0.02 0.53 0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 1ck0 s VAL 115 N 0.47 3.04 -0.01 3.82 1.01 -1.26 -0.59 120.40 126.89 1ck0 s VAL 115 Ca -0.16 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.00 1ck0 s VAL 115 Cb -0.17 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.48 1ck0 s VAL 115 CO 0.06 -0.23 0.84 -0.94 0.00 0.00 0.00 175.10 174.83 1ck0 s SER 116 N 1.35 -0.43 0.00 3.32 1.04 -0.26 -4.61 113.70 114.11 1ck0 s SER 116 Ca -0.02 0.15 0.18 0.00 0.48 0.00 0.00 55.95 56.74 1ck0 s SER 116 Cb -0.20 0.42 0.59 0.00 0.10 0.00 0.00 66.02 66.93 1ck0 s SER 116 CO -0.02 -0.63 1.45 -1.54 0.98 0.00 0.00 173.24 173.49 1ck0 n SER 117 N 0.02 1.96 -4.22 7.02 3.41 -1.26 -3.93 113.62 116.63 1ck0 n SER 117 Ca -0.11 -1.83 -0.29 0.00 -0.26 0.00 0.00 58.87 56.38 1ck0 n SER 117 Cb 0.61 -0.17 0.22 0.00 -0.26 0.00 0.00 64.21 64.61 1ck0 n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ck0 s ALA 118 N -1.66 0.65 0.08 7.33 0.00 -1.26 -5.06 121.76 121.84 1ck0 s ALA 118 Ca 0.31 -0.67 0.08 0.00 0.00 0.00 0.00 51.96 51.68 1ck0 s ALA 118 Cb 0.17 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1ck0 s ALA 118 CO 0.24 -3.32 -0.16 -1.59 0.00 0.00 0.00 175.76 170.92 1ck0 s LYS 119 N -5.16 1.96 0.06 0.00 -2.85 -1.26 -5.03 119.74 107.46 1ck0 s LYS 119 Ca 0.68 -1.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 1ck0 s LYS 119 Cb -0.14 -2.18 -0.09 0.00 -2.06 0.00 0.00 37.83 33.36 1ck0 s LYS 119 CO 0.57 0.51 1.76 0.99 0.10 0.00 0.00 175.35 179.29 1ck0 s THR 120 N -1.07 2.99 -0.11 3.79 2.01 -1.26 -4.71 115.64 117.28 1ck0 s THR 120 Ca 0.17 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1ck0 s THR 120 Cb -0.11 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1ck0 s THR 120 CO 0.09 -0.01 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.99 1ck0 s THR 121 N 3.26 1.33 0.60 -0.82 2.01 0.62 -4.96 115.64 117.68 1ck0 s THR 121 Ca 0.79 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 1ck0 s THR 121 Cb -0.41 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1ck0 s THR 121 CO 0.35 0.41 1.28 -2.84 -0.69 0.00 0.00 174.62 173.13 1ck0 s PRO 122 N 1.25 2.87 0.48 4.92 0.02 -1.26 -1.82 135.00 141.46 1ck0 s PRO 122 Ca -0.02 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.91 1ck0 s PRO 122 Cb -0.14 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 1ck0 s PRO 122 CO -0.05 -1.34 0.87 -1.25 -0.33 0.00 0.00 177.00 174.91 1ck0 s PRO 123 N -3.22 3.75 -0.28 5.54 0.04 -1.26 -4.35 135.00 135.21 1ck0 s PRO 123 Ca 0.78 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1ck0 s PRO 123 Cb -0.36 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 31.96 1ck0 s PRO 123 CO 0.39 -0.22 -0.03 -1.12 0.04 0.00 0.00 177.00 176.06 1ck0 s SER 124 N -3.49 4.69 -0.25 6.66 0.01 -0.54 -4.96 113.70 115.83 1ck0 s SER 124 Ca 0.53 -1.19 -0.18 0.00 1.31 0.00 0.00 55.95 56.42 1ck0 s SER 124 Cb -0.10 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1ck0 s SER 124 CO 0.38 -0.22 0.53 -0.69 0.41 0.00 0.00 173.24 173.65 1ck0 s VAL 125 N 1.25 5.07 -0.18 3.43 1.01 -1.26 -2.44 120.40 127.28 1ck0 s VAL 125 Ca -0.04 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1ck0 s VAL 125 Cb -0.19 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1ck0 s VAL 125 CO -0.02 0.10 -0.14 -0.31 0.00 0.00 0.00 175.10 174.72 1ck0 s TYR 126 N 2.20 2.82 -0.05 5.22 4.12 0.21 -4.98 117.35 126.89 1ck0 s TYR 126 Ca 0.22 -1.22 -0.30 0.00 0.02 0.00 0.00 57.07 55.80 1ck0 s TYR 126 Cb -0.16 -1.95 -0.03 0.00 -1.52 0.00 0.00 41.96 38.31 1ck0 s TYR 126 CO 0.09 -0.60 1.18 -1.25 0.02 0.00 0.00 175.55 174.99 1ck0 s PRO 127 N 1.12 4.37 -0.47 -1.71 0.04 -1.26 -0.69 135.00 136.39 1ck0 s PRO 127 Ca 0.00 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1ck0 s PRO 127 Cb -0.14 -3.53 0.07 0.00 0.04 0.00 0.00 34.50 30.93 1ck0 s PRO 127 CO -0.05 -0.40 0.42 -0.51 0.04 0.00 0.00 177.00 176.49 1ck0 s LEU 128 N 2.04 5.52 0.01 -3.56 1.02 -0.93 -4.94 118.68 117.83 1ck0 s LEU 128 Ca 0.55 -1.25 0.03 0.00 0.02 0.00 0.00 54.13 53.49 1ck0 s LEU 128 Cb -0.24 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 1ck0 s LEU 128 CO 0.23 -0.66 -0.05 0.00 0.02 0.00 0.00 176.35 175.88 1ck0 s ALA 129 N 1.76 3.07 0.00 4.21 0.00 -1.26 -1.55 121.76 127.99 1ck0 s ALA 129 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1ck0 s ALA 129 Cb -0.23 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1ck0 s ALA 129 CO 0.07 0.62 0.00 -2.30 0.00 0.00 0.00 175.76 174.16 1ck0 n PRO 130 N 1.47 0.00 0.00 0.00 -0.02 -1.26 -5.06 135.00 130.13 1ck0 n PRO 130 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1ck0 n PRO 130 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1ck0 n PRO 130 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1ck0 n MET 139 N 0.00 0.00 -4.53 -0.52 0.00 -1.25 -5.02 117.12 105.81 1ck0 n MET 139 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1ck0 n MET 139 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.06 1ck0 n MET 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1ck0 s VAL 140 N 0.00 1.01 -0.34 2.03 -7.23 0.69 -4.70 120.40 111.87 1ck0 s VAL 140 Ca 0.00 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.58 1ck0 s VAL 140 Cb 0.00 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1ck0 s VAL 140 CO 0.00 0.31 0.29 -0.89 -0.31 0.00 0.00 175.10 174.51 1ck0 s THR 141 N 0.35 5.23 0.47 5.32 2.01 -1.26 -1.86 115.64 125.90 1ck0 s THR 141 Ca -0.07 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ck0 s THR 141 Cb -0.12 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1ck0 s THR 141 CO 0.02 -0.04 0.61 -0.76 -0.69 0.00 0.00 174.62 173.77 1ck0 s LEU 142 N 1.86 3.45 0.00 4.42 1.43 -0.57 -4.68 118.68 124.59 1ck0 s LEU 142 Ca 0.09 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1ck0 s LEU 142 Cb -0.17 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1ck0 s LEU 142 CO 0.11 -0.93 0.62 0.61 0.23 0.00 0.00 176.35 176.99 1ck0 n GLY 143 N -1.94 1.62 3.38 -3.19 0.00 -0.59 -1.83 105.19 102.63 1ck0 n GLY 143 Ca 0.10 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1ck0 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ck0 s LEU 145 N 1.96 4.03 -0.31 0.00 2.96 0.13 -1.64 118.68 125.81 1ck0 s LEU 145 Ca -0.07 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1ck0 s LEU 145 Cb -0.09 -2.02 0.10 0.00 0.50 0.00 0.00 46.19 44.67 1ck0 s LEU 145 CO -0.15 0.21 0.06 -0.69 -1.32 0.00 0.00 176.35 174.47 1ck0 s VAL 146 N 0.15 1.50 0.22 1.68 1.01 0.12 -0.62 120.40 124.45 1ck0 s VAL 146 Ca 0.07 -1.76 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1ck0 s VAL 146 Cb -0.12 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1ck0 s VAL 146 CO -0.00 -0.59 -0.08 -1.59 0.00 0.00 0.00 175.10 172.84 1ck0 s LYS 147 N 1.31 1.35 -0.73 2.72 -2.85 -1.02 0.62 119.74 121.14 1ck0 s LYS 147 Ca 0.09 -1.64 -0.04 0.00 -1.00 0.00 0.00 55.97 53.38 1ck0 s LYS 147 Cb -0.18 -0.95 0.00 0.00 -2.06 0.00 0.00 37.83 34.65 1ck0 s LYS 147 CO -0.16 0.07 0.47 0.41 0.10 0.00 0.00 175.35 176.24 1ck0 n GLY 148 N -0.42 0.15 3.75 0.59 0.00 0.58 -1.47 105.19 108.38 1ck0 n GLY 148 Ca -0.07 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1ck0 n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ck0 s TYR 149 N -3.03 2.67 -0.29 1.61 1.13 -0.93 -4.51 117.35 113.99 1ck0 s TYR 149 Ca 0.24 -0.48 -0.22 0.00 -1.41 0.00 0.00 57.07 55.19 1ck0 s TYR 149 Cb -0.10 -1.84 0.17 0.00 -1.10 0.00 0.00 41.96 39.09 1ck0 s TYR 149 CO 0.29 0.21 1.25 0.12 -2.51 0.00 0.00 175.55 174.92 1ck0 s PHE 150 N -2.50 -0.22 0.43 -3.49 5.36 -0.76 -1.22 117.98 115.58 1ck0 s PHE 150 Ca 0.40 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 56.87 1ck0 s PHE 150 Cb -0.00 0.35 0.09 0.00 -0.34 0.00 0.00 43.02 43.12 1ck0 s PHE 150 CO 0.23 -0.11 0.59 -0.35 -1.46 0.00 0.00 175.22 174.13 1ck0 n PRO 151 N 2.29 0.13 -2.06 10.12 -0.04 -1.26 -0.28 135.00 143.90 1ck0 n PRO 151 Ca -0.13 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.45 1ck0 n PRO 151 Cb 0.57 -0.41 0.01 0.00 -0.04 0.00 0.00 33.50 33.62 1ck0 n PRO 151 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ck0 s GLU 152 N -4.01 3.30 0.56 0.54 2.56 -1.26 -4.77 118.70 115.62 1ck0 s GLU 152 Ca 0.39 1.26 0.06 0.00 0.00 0.00 0.00 54.97 56.67 1ck0 s GLU 152 Cb -0.02 -2.03 0.05 0.00 2.00 0.00 0.00 34.13 34.13 1ck0 s GLU 152 CO 0.26 -0.83 0.46 -1.25 -0.56 0.00 0.00 175.26 173.34 1ck0 s PRO 153 N -3.97 2.24 0.25 4.30 0.04 -1.26 -4.94 135.00 131.66 1ck0 s PRO 153 Ca 0.65 -2.02 0.06 0.00 0.04 0.00 0.00 61.00 59.73 1ck0 s PRO 153 Cb -0.17 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1ck0 s PRO 153 CO 0.36 -0.70 -0.07 0.54 0.04 0.00 0.00 177.00 177.17 1ck0 s VAL 154 N -2.79 1.55 -0.20 -0.36 0.11 -1.26 -4.45 120.40 113.00 1ck0 s VAL 154 Ca 0.36 -2.12 -0.00 0.00 -2.93 0.00 0.00 61.98 57.28 1ck0 s VAL 154 Cb -0.03 -2.34 0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1ck0 s VAL 154 CO 0.23 -0.37 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.70 1ck0 s THR 155 N -3.08 1.17 -0.08 5.04 2.01 0.78 -4.96 115.64 116.53 1ck0 s THR 155 Ca 0.28 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1ck0 s THR 155 Cb 0.03 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1ck0 s THR 155 CO 0.10 -0.04 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.29 1ck0 s VAL 156 N 1.58 4.13 0.13 3.82 1.01 -1.26 -1.25 120.40 128.55 1ck0 s VAL 156 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1ck0 s VAL 156 Cb -0.17 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1ck0 s VAL 156 CO -0.07 0.60 0.34 0.42 0.00 0.00 0.00 175.10 176.39 1ck0 s THR 157 N -0.87 0.08 -0.17 3.92 -4.23 -0.24 -5.01 115.64 109.12 1ck0 s THR 157 Ca 0.13 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1ck0 s THR 157 Cb -0.11 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1ck0 s THR 157 CO 0.02 -0.38 -0.15 0.26 -0.54 0.00 0.00 174.62 173.83 1ck0 s TRP 158 N -3.85 2.80 -1.26 3.99 0.52 -1.26 -0.97 118.94 118.91 1ck0 s TRP 158 Ca 0.06 -1.22 -0.01 0.00 0.02 0.00 0.00 56.10 54.95 1ck0 s TRP 158 Cb 0.02 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1ck0 s TRP 158 CO -0.09 -0.59 0.88 0.09 0.02 0.00 0.00 176.95 177.26 1ck0 n ASN 159 N 4.33 -1.91 0.00 2.95 3.02 -0.33 -1.99 115.26 121.33 1ck0 n ASN 159 Ca -0.20 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1ck0 n ASN 159 Cb 0.51 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 1ck0 n ASN 159 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ck0 n SER 160 N -3.09 -0.31 0.00 6.41 7.64 -1.26 -0.65 113.62 122.37 1ck0 n SER 160 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1ck0 n SER 160 Cb 0.67 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 1ck0 n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ck0 n GLY 161 N -1.36 1.28 0.42 0.23 0.00 -0.84 -4.98 105.19 99.94 1ck0 n GLY 161 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 1ck0 n GLY 161 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ck0 h SER 162 N 0.44 0.00 -3.48 1.61 0.02 -0.88 -3.31 113.55 107.94 1ck0 h SER 162 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 1ck0 h SER 162 Cb 0.00 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.24 1ck0 h SER 162 CO 0.00 0.00 -0.50 -0.76 -1.14 0.00 0.00 176.83 174.43 1ck0 s LEU 163 N -8.63 5.06 -0.06 5.07 1.43 -0.87 -4.88 118.68 115.80 1ck0 s LEU 163 Ca -0.05 -1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 51.44 1ck0 s LEU 163 Cb 0.20 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1ck0 s LEU 163 CO 0.75 -0.52 -0.07 -1.20 0.23 0.00 0.00 176.35 175.54 1ck0 n SER 164 N 4.83 1.29 -4.74 2.29 7.64 -1.25 -4.03 113.62 119.64 1ck0 n SER 164 Ca -0.09 0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.43 1ck0 n SER 164 Cb 0.43 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1ck0 n SER 164 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ck0 s SER 165 N -5.30 7.59 0.00 6.43 0.01 -1.26 -3.25 113.70 117.92 1ck0 s SER 165 Ca -0.09 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.06 1ck0 s SER 165 Cb 0.03 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ck0 s SER 165 CO 0.12 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1ck0 n GLY 166 N 1.80 2.68 3.81 3.44 0.00 -1.26 -4.83 105.19 110.82 1ck0 n GLY 166 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ck0 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ck0 s VAL 167 N -2.70 4.39 -0.22 1.61 1.01 -1.20 -2.20 120.40 121.09 1ck0 s VAL 167 Ca 0.00 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 1ck0 s VAL 167 Cb 0.00 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1ck0 s VAL 167 CO 0.00 -0.13 0.22 -1.00 0.00 0.00 0.00 175.10 174.19 1ck0 s HIS 168 N -1.94 -0.23 -0.30 5.22 3.76 0.21 -4.96 115.29 117.05 1ck0 s HIS 168 Ca 0.56 0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.43 1ck0 s HIS 168 Cb -0.13 -0.43 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 1ck0 s HIS 168 CO 0.17 -0.66 0.15 0.99 -0.85 0.00 0.00 174.74 174.54 1ck0 s THR 169 N 2.30 4.65 0.29 1.30 2.01 -1.26 -1.21 115.64 123.72 1ck0 s THR 169 Ca 0.07 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1ck0 s THR 169 Cb -0.16 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1ck0 s THR 169 CO -0.16 0.12 0.78 -0.36 -0.69 0.00 0.00 174.62 174.30 1ck0 s PHE 170 N 1.63 3.53 0.45 4.92 0.08 -0.74 -5.02 117.98 122.83 1ck0 s PHE 170 Ca 0.05 1.40 -0.25 0.00 0.12 0.00 0.00 56.93 58.25 1ck0 s PHE 170 Cb -0.17 -2.65 -0.08 0.00 -0.57 0.00 0.00 43.02 39.55 1ck0 s PHE 170 CO 0.06 0.20 1.44 -0.35 -0.10 0.00 0.00 175.22 176.47 1ck0 n PRO 171 N 0.21 2.28 -2.03 0.24 -0.04 -1.26 -4.35 135.00 130.05 1ck0 n PRO 171 Ca 0.01 0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 63.93 1ck0 n PRO 171 Cb 0.52 -2.64 0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1ck0 n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ck0 s ALA 172 N -1.19 2.56 -0.04 0.55 0.00 -1.26 -4.86 121.76 117.52 1ck0 s ALA 172 Ca 0.61 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1ck0 s ALA 172 Cb -0.45 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1ck0 s ALA 172 CO 0.58 -1.10 -0.24 0.08 0.00 0.00 0.00 175.76 175.08 1ck0 s VAL 173 N -1.74 2.19 -0.93 0.00 1.01 -0.54 -4.93 120.40 115.46 1ck0 s VAL 173 Ca 0.75 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1ck0 s VAL 173 Cb -0.27 -1.79 0.15 0.00 0.00 0.00 0.00 36.38 34.47 1ck0 s VAL 173 CO 0.33 0.58 1.08 -0.22 0.00 0.00 0.00 175.10 176.86 1ck0 s LEU 174 N -0.41 5.41 -0.27 3.92 2.96 -1.26 -1.67 118.68 127.35 1ck0 s LEU 174 Ca 0.04 -2.26 -0.10 0.00 -0.22 0.00 0.00 54.13 51.59 1ck0 s LEU 174 Cb -0.12 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1ck0 s LEU 174 CO 0.01 -0.93 0.15 -1.58 -1.32 0.00 0.00 176.35 172.68 1ck0 s GLN 175 N 2.04 3.86 -1.42 1.98 2.00 0.37 -4.53 119.66 123.97 1ck0 s GLN 175 Ca 0.30 -0.37 -0.07 0.00 -2.00 0.00 0.00 55.36 53.22 1ck0 s GLN 175 Cb -0.06 -3.55 0.04 0.00 0.80 0.00 0.00 33.01 30.24 1ck0 s GLN 175 CO -0.09 -0.17 0.89 0.43 -0.50 0.00 0.00 175.29 175.85 1ck0 n SER 176 N 4.99 -3.39 0.00 6.67 7.64 -1.26 -1.14 113.62 127.12 1ck0 n SER 176 Ca -0.15 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1ck0 n SER 176 Cb 0.52 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1ck0 n SER 176 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ck0 n ASP 177 N -2.95 -1.18 -4.14 6.43 10.43 -1.26 -4.99 116.55 118.89 1ck0 n ASP 177 Ca -0.11 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 56.99 1ck0 n ASP 177 Cb 0.59 -1.11 -0.16 0.00 1.84 0.00 0.00 41.12 42.29 1ck0 n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ck0 s LEU 178 N 0.00 1.95 0.37 0.64 2.01 -0.30 -4.90 118.68 118.45 1ck0 s LEU 178 Ca 0.00 -0.35 -0.18 0.00 0.01 0.00 0.00 54.13 53.62 1ck0 s LEU 178 Cb 0.00 -0.96 -0.10 0.00 0.01 0.00 0.00 46.19 45.14 1ck0 s LEU 178 CO 0.00 0.17 0.84 -0.31 1.01 0.00 0.00 176.35 178.06 1ck0 s TYR 179 N -0.08 3.35 -0.01 0.29 2.02 -0.36 -0.48 117.35 122.08 1ck0 s TYR 179 Ca -0.01 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 1ck0 s TYR 179 Cb -0.10 -2.69 0.02 0.00 -0.40 0.00 0.00 41.96 38.79 1ck0 s TYR 179 CO 0.01 0.00 0.01 0.99 -1.57 0.00 0.00 175.55 175.00 1ck0 s THR 180 N -2.07 0.03 0.05 -0.71 2.01 -0.67 -0.30 115.64 113.97 1ck0 s THR 180 Ca 0.58 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1ck0 s THR 180 Cb -0.10 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1ck0 s THR 180 CO 0.15 0.06 0.08 -0.22 -0.69 0.00 0.00 174.62 174.01 1ck0 s LEU 181 N 0.56 1.92 0.05 4.42 0.20 0.20 -1.47 118.68 124.57 1ck0 s LEU 181 Ca -0.05 -0.67 -0.03 0.00 0.69 0.00 0.00 54.13 54.08 1ck0 s LEU 181 Cb -0.07 0.57 -0.03 0.00 -0.43 0.00 0.00 46.19 46.22 1ck0 s LEU 181 CO -0.01 -0.56 0.02 -0.94 -0.29 0.00 0.00 176.35 174.56 1ck0 s SER 182 N -2.43 0.37 -0.04 3.68 1.04 -1.26 0.10 113.70 115.16 1ck0 s SER 182 Ca -0.01 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 1ck0 s SER 182 Cb 0.02 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1ck0 s SER 182 CO -0.07 -0.58 0.09 -0.55 0.98 0.00 0.00 173.24 173.11 1ck0 s SER 183 N -2.69 -0.08 0.12 7.02 0.15 -0.65 -1.79 113.70 115.78 1ck0 s SER 183 Ca 0.03 0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.95 1ck0 s SER 183 Cb 0.05 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1ck0 s SER 183 CO -0.09 -0.06 -0.20 -0.94 1.20 0.00 0.00 173.24 173.15 1ck0 s SER 184 N 0.37 2.58 -0.04 5.45 1.04 -0.35 -0.57 113.70 122.18 1ck0 s SER 184 Ca -0.03 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1ck0 s SER 184 Cb -0.04 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1ck0 s SER 184 CO -0.01 0.03 0.07 0.54 0.98 0.00 0.00 173.24 174.85 1ck0 s VAL 185 N -1.41 -0.12 -0.40 5.02 0.11 -0.76 -0.62 120.40 122.22 1ck0 s VAL 185 Ca 0.09 0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 59.40 1ck0 s VAL 185 Cb -0.09 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1ck0 s VAL 185 CO 0.05 0.17 0.32 -0.89 -3.33 0.00 0.00 175.10 171.42 1ck0 s THR 186 N 2.12 5.23 0.36 5.04 2.01 -0.93 -1.51 115.64 127.95 1ck0 s THR 186 Ca 0.04 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1ck0 s THR 186 Cb -0.12 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1ck0 s THR 186 CO -0.03 -0.28 0.01 0.68 -0.69 0.00 0.00 174.62 174.30 1ck0 s VAL 187 N 1.79 2.44 0.62 3.82 -7.23 -0.78 -4.69 120.40 116.37 1ck0 s VAL 187 Ca 0.07 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1ck0 s VAL 187 Cb -0.18 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 1ck0 s VAL 187 CO 0.11 -0.16 1.24 -2.84 -0.31 0.00 0.00 175.10 173.15 1ck0 s PRO 188 N -3.71 2.78 0.64 4.82 0.02 -1.26 -0.22 135.00 138.07 1ck0 s PRO 188 Ca 0.35 1.92 0.32 0.00 0.02 0.00 0.00 61.00 63.61 1ck0 s PRO 188 Cb 0.02 -1.89 1.73 0.00 0.02 0.00 0.00 34.50 34.38 1ck0 s PRO 188 CO 0.19 -1.38 2.01 0.77 -0.33 0.00 0.00 177.00 178.26 1ck0 h SER 189 N 0.72 0.00 0.02 2.53 0.02 -1.89 -3.15 113.55 111.80 1ck0 h SER 189 Ca -0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1ck0 h SER 189 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1ck0 h SER 189 CO 0.54 0.00 -0.01 0.28 -1.14 0.00 0.00 176.83 176.50 1ck0 h SER 190 N 0.00 -0.02 0.00 3.07 0.02 -1.99 -3.37 113.55 111.26 1ck0 h SER 190 Ca 0.05 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ck0 h SER 190 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1ck0 h SER 190 CO -0.00 0.64 0.00 -0.81 -1.14 0.00 0.00 176.83 175.52 1ck0 n PRO 191 N -4.74 0.00 -3.63 3.45 -0.04 -1.19 -3.63 135.00 125.22 1ck0 n PRO 191 Ca -0.04 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1ck0 n PRO 191 Cb 0.17 -0.99 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1ck0 n PRO 191 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ck0 s ARG 192 N -1.65 0.52 0.00 0.54 6.06 -1.26 -0.66 118.95 122.50 1ck0 s ARG 192 Ca 0.00 0.92 0.14 0.00 -2.50 0.00 0.00 55.73 54.29 1ck0 s ARG 192 Cb 0.00 0.14 0.85 0.00 0.06 0.00 0.00 34.95 36.00 1ck0 s ARG 192 CO 0.00 -0.11 1.27 -2.30 -2.50 0.00 0.00 175.30 171.66 1ck0 n PRO 193 N 4.06 0.50 0.04 5.12 -0.02 -1.26 -4.85 135.00 138.59 1ck0 n PRO 193 Ca -0.19 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 1ck0 n PRO 193 Cb 0.58 -1.45 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 1ck0 n PRO 193 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ck0 h SER 194 N 0.00 -0.51 -3.58 2.55 0.02 -1.72 -3.42 113.55 106.89 1ck0 h SER 194 Ca 0.00 0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 60.36 1ck0 h SER 194 Cb 0.00 0.22 -0.17 0.00 0.14 0.00 0.00 62.40 62.59 1ck0 h SER 194 CO 0.00 -0.23 -0.70 -1.61 -1.14 0.00 0.00 176.83 173.15 1ck0 s GLU 195 N -6.12 2.53 0.07 3.45 8.01 0.17 -5.03 118.70 121.77 1ck0 s GLU 195 Ca -0.15 -0.75 -0.31 0.00 0.01 0.00 0.00 54.97 53.78 1ck0 s GLU 195 Cb 0.09 -2.49 -0.07 0.00 -4.31 0.00 0.00 34.13 27.35 1ck0 s GLU 195 CO 0.67 0.59 1.33 0.99 0.01 0.00 0.00 175.26 178.85 1ck0 s THR 196 N -1.04 3.61 -0.14 3.63 2.01 -1.26 -4.17 115.64 118.28 1ck0 s THR 196 Ca 0.18 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1ck0 s THR 196 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1ck0 s THR 196 CO 0.09 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.24 1ck0 s VAL 197 N 1.38 2.71 0.01 3.82 1.01 -1.26 -4.99 120.40 123.07 1ck0 s VAL 197 Ca 0.63 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1ck0 s VAL 197 Cb -0.33 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1ck0 s VAL 197 CO 0.29 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.81 1ck0 s THR 198 N 0.64 1.65 -0.51 3.92 2.01 -1.26 -2.25 115.64 119.84 1ck0 s THR 198 Ca -0.08 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.76 1ck0 s THR 198 Cb -0.16 -1.39 0.11 0.00 0.01 0.00 0.00 72.50 71.07 1ck0 s THR 198 CO 0.02 0.37 0.45 0.00 -0.69 0.00 0.00 174.62 174.78 1ck0 s ASN 200 N 3.17 6.75 -0.01 0.00 -0.87 -0.14 -1.12 114.94 122.72 1ck0 s ASN 200 Ca 0.03 0.91 0.02 0.00 -1.57 0.00 0.00 52.86 52.25 1ck0 s ASN 200 Cb -0.28 -2.35 -0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1ck0 s ASN 200 CO 0.04 -0.19 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.62 1ck0 s VAL 201 N 1.44 0.61 -0.02 1.60 1.01 -0.27 -1.08 120.40 123.69 1ck0 s VAL 201 Ca 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1ck0 s VAL 201 Cb -0.16 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1ck0 s VAL 201 CO 0.12 0.19 -0.04 0.00 0.00 0.00 0.00 175.10 175.36 1ck0 s ALA 202 N 0.04 0.50 -0.41 5.51 0.00 -0.38 -1.08 121.76 125.93 1ck0 s ALA 202 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1ck0 s ALA 202 Cb -0.05 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.96 1ck0 s ALA 202 CO -0.00 0.06 0.19 -1.58 0.00 0.00 0.00 175.76 174.42 1ck0 s HIS 203 N 0.33 2.35 0.19 0.00 2.46 -0.51 -0.16 115.29 119.95 1ck0 s HIS 203 Ca -0.04 -2.48 -0.22 0.00 0.47 0.00 0.00 55.06 52.79 1ck0 s HIS 203 Cb -0.07 -2.14 0.12 0.00 -0.13 0.00 0.00 32.58 30.35 1ck0 s HIS 203 CO -0.00 -0.82 1.58 -1.35 -2.47 0.00 0.00 174.74 171.68 1ck0 h PRO 204 N 7.08 -0.15 -1.03 2.88 0.11 -1.82 -1.97 132.00 137.10 1ck0 h PRO 204 Ca -0.05 0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.37 1ck0 h PRO 204 Cb 0.95 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1ck0 h PRO 204 CO 0.52 -0.10 0.95 0.00 -0.21 0.00 0.00 178.00 179.16 1ck0 h ALA 205 N 0.95 2.90 0.00 -0.75 0.00 -1.90 0.31 119.26 120.76 1ck0 h ALA 205 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ck0 h ALA 205 Cb 0.56 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1ck0 h ALA 205 CO -0.72 -1.48 -0.29 -1.13 0.00 0.00 0.00 179.25 175.63 1ck0 n SER 206 N -3.68 1.65 -4.20 0.00 3.41 -0.79 -4.99 113.62 105.02 1ck0 n SER 206 Ca 0.22 -2.97 -0.37 0.00 -0.26 0.00 0.00 58.87 55.49 1ck0 n SER 206 Cb 1.28 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 1ck0 n SER 206 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ck0 n SER 207 N -0.93 -1.14 -4.63 4.04 3.41 0.11 -4.94 113.62 109.54 1ck0 n SER 207 Ca 0.13 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 57.15 1ck0 n SER 207 Cb 0.71 -1.74 -0.10 0.00 -0.26 0.00 0.00 64.21 62.81 1ck0 n SER 207 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ck0 s THR 208 N -4.02 3.88 -0.21 6.66 2.01 -0.94 -4.99 115.64 118.03 1ck0 s THR 208 Ca 0.19 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1ck0 s THR 208 Cb -0.11 -2.70 0.10 0.00 0.01 0.00 0.00 72.50 69.81 1ck0 s THR 208 CO 0.98 0.41 0.41 -0.75 -0.69 0.00 0.00 174.62 174.98 1ck0 s LYS 209 N -1.42 0.33 -0.01 4.92 2.36 -1.26 -1.42 119.74 123.24 1ck0 s LYS 209 Ca 0.18 0.93 0.04 0.00 -2.55 0.00 0.00 55.97 54.57 1ck0 s LYS 209 Cb -0.11 0.17 -0.01 0.00 -1.05 0.00 0.00 37.83 36.83 1ck0 s LYS 209 CO 0.08 -0.34 -0.13 0.08 1.55 0.00 0.00 175.35 176.59 1ck0 s VAL 210 N 2.60 1.06 -0.39 4.02 1.01 -0.24 -5.00 120.40 123.46 1ck0 s VAL 210 Ca 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1ck0 s VAL 210 Cb -0.13 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.48 1ck0 s VAL 210 CO -0.14 0.30 0.11 -1.81 0.00 0.00 0.00 175.10 173.57 1ck0 s ASP 211 N -0.30 4.56 -0.45 3.32 1.01 -1.26 -1.11 116.67 122.44 1ck0 s ASP 211 Ca 0.05 -2.36 -0.17 0.00 0.71 0.00 0.00 52.55 50.78 1ck0 s ASP 211 Cb -0.05 -1.55 0.05 0.00 1.01 0.00 0.00 42.92 42.37 1ck0 s ASP 211 CO -0.00 -0.34 0.44 -0.75 0.21 0.00 0.00 175.17 174.73 1ck0 s LYS 212 N 0.62 3.04 -0.18 8.23 2.20 -0.28 -4.86 119.74 128.52 1ck0 s LYS 212 Ca 0.13 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 1ck0 s LYS 212 Cb -0.21 -4.05 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1ck0 s LYS 212 CO -0.07 -0.97 1.44 0.21 -0.36 0.00 0.00 175.35 175.60 1ck0 s LYS 213 N 2.00 4.06 -0.90 4.03 2.20 -1.26 -0.91 119.74 128.95 1ck0 s LYS 213 Ca 0.09 1.71 -0.24 0.00 -0.36 0.00 0.00 55.97 57.16 1ck0 s LYS 213 Cb -0.20 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 1ck0 s LYS 213 CO 0.10 -0.95 1.78 0.42 -0.36 0.00 0.00 175.35 176.34 1ck0 s ILE 214 N 4.19 3.58 0.01 5.43 -1.09 -0.95 -4.95 121.20 127.42 1ck0 s ILE 214 Ca 0.63 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 1ck0 s ILE 214 Cb -0.24 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 1ck0 s ILE 214 CO 0.23 -1.25 0.17 0.54 -1.23 0.00 0.00 174.94 173.40 1ck0 s VAL 215 N 8.42 5.30 0.00 2.92 0.11 -1.26 -4.76 120.40 131.14 1ck0 s VAL 215 Ca 0.62 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1ck0 s VAL 215 Cb -0.05 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1ck0 s VAL 215 CO -0.01 0.28 0.00 -3.20 -3.33 0.00 0.00 175.10 168.85