#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckb n ALA 2 N 0.00 -2.05 -2.30 4.31 0.00 -1.26 -5.02 120.51 114.19 2ckb n ALA 2 Ca 0.00 0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2ckb n ALA 2 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2ckb n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckb s ALA 3 N -2.96 3.47 -0.92 0.00 0.00 -1.26 -4.82 121.76 115.26 2ckb s ALA 3 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2ckb s ALA 3 Cb -0.00 -2.84 0.23 0.00 0.00 0.00 0.00 23.12 20.50 2ckb s ALA 3 CO 0.39 0.22 0.82 0.08 0.00 0.00 0.00 175.76 177.27 2ckb s VAL 4 N -0.57 4.60 -0.16 0.00 1.01 -1.26 -2.49 120.40 121.53 2ckb s VAL 4 Ca 0.34 -3.77 -0.29 0.00 0.00 0.00 0.00 61.98 58.26 2ckb s VAL 4 Cb -0.20 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2ckb s VAL 4 CO 0.21 -1.10 1.26 -0.89 0.00 0.00 0.00 175.10 174.59 2ckb s THR 5 N -1.29 4.28 -0.32 3.92 2.01 0.20 -4.22 115.64 120.21 2ckb s THR 5 Ca 0.28 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.86 2ckb s THR 5 Cb -0.08 -4.00 0.10 0.00 0.01 0.00 0.00 72.50 68.53 2ckb s THR 5 CO -0.12 -0.13 0.04 -1.58 -0.69 0.00 0.00 174.62 172.15 2ckb s GLN 6 N 3.46 1.39 0.06 4.92 0.74 -1.26 0.49 119.66 129.46 2ckb s GLN 6 Ca 0.55 -1.66 0.06 0.00 0.05 0.00 0.00 55.36 54.36 2ckb s GLN 6 Cb -0.22 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 2ckb s GLN 6 CO 0.15 -0.91 -0.17 -1.12 -0.55 0.00 0.00 175.29 172.68 2ckb s SER 7 N 1.07 2.07 1.00 6.67 0.01 -0.62 -4.00 113.70 119.89 2ckb s SER 7 Ca 0.09 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 2ckb s SER 7 Cb -0.19 -0.13 0.19 0.00 0.21 0.00 0.00 66.02 66.10 2ckb s SER 7 CO -0.11 0.05 1.15 -2.16 0.41 0.00 0.00 173.24 172.58 2ckb s PRO 8 N -1.42 0.44 0.00 12.44 0.04 -1.26 -0.25 135.00 144.99 2ckb s PRO 8 Ca 0.04 0.16 0.19 0.00 0.04 0.00 0.00 61.00 61.43 2ckb s PRO 8 Cb -0.09 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.81 2ckb s PRO 8 CO 0.02 -2.65 1.07 0.54 0.04 0.00 0.00 177.00 176.02 2ckb n ARG 9 N -4.05 1.62 -3.58 4.56 1.74 -1.26 -4.68 116.66 111.01 2ckb n ARG 9 Ca 0.09 -1.50 -0.11 0.00 -0.77 0.00 0.00 57.85 55.55 2ckb n ARG 9 Cb 0.59 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 2ckb n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ckb s ASN 10 N -1.67 -0.44 -0.27 0.55 2.20 -1.26 -0.80 114.94 113.25 2ckb s ASN 10 Ca 0.21 0.56 -0.25 0.00 -0.94 0.00 0.00 52.86 52.43 2ckb s ASN 10 Cb 0.16 0.47 0.11 0.00 -2.00 0.00 0.00 41.25 39.98 2ckb s ASN 10 CO 0.27 -0.35 0.93 -0.75 -2.94 0.00 0.00 177.10 174.27 2ckb s LYS 11 N -0.85 0.61 -0.36 3.55 2.20 -0.89 -4.92 119.74 119.09 2ckb s LYS 11 Ca -0.02 0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 2ckb s LYS 11 Cb -0.01 0.30 0.09 0.00 -1.51 0.00 0.00 37.83 36.69 2ckb s LYS 11 CO 0.01 -0.08 0.12 0.08 -0.36 0.00 0.00 175.35 175.13 2ckb s VAL 12 N 0.24 3.11 0.38 4.02 1.01 -1.22 -1.71 120.40 126.22 2ckb s VAL 12 Ca 0.02 -1.84 0.08 0.00 0.00 0.00 0.00 61.98 60.24 2ckb s VAL 12 Cb -0.05 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2ckb s VAL 12 CO -0.04 -0.48 0.12 0.00 0.00 0.00 0.00 175.10 174.70 2ckb s ALA 13 N 1.16 3.44 0.36 5.51 0.00 -0.30 -4.76 121.76 127.17 2ckb s ALA 13 Ca 0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 2ckb s ALA 13 Cb -0.21 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2ckb s ALA 13 CO -0.03 -0.07 0.62 0.14 0.00 0.00 0.00 175.76 176.42 2ckb s VAL 14 N -2.56 5.01 1.06 0.00 -7.23 -1.26 0.67 120.40 116.09 2ckb s VAL 14 Ca 0.38 -0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 2ckb s VAL 14 Cb 0.02 -3.80 0.22 0.00 0.56 0.00 0.00 36.38 33.38 2ckb s VAL 14 CO 0.21 -0.53 1.04 0.41 -0.31 0.00 0.00 175.10 175.93 2ckb n THR 15 N -1.53 0.00 -3.83 5.32 -1.04 0.65 -2.41 114.28 111.43 2ckb n THR 15 Ca -0.02 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.05 61.45 2ckb n THR 15 Cb 0.55 -0.98 -0.02 0.00 -1.82 0.00 0.00 70.33 68.05 2ckb n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ckb n GLY 16 N 0.72 -0.46 3.55 3.41 0.00 0.70 -4.89 105.19 108.21 2ckb n GLY 16 Ca 0.07 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2ckb n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ckb s GLY 17 N -2.98 1.66 -0.44 -0.02 0.00 -1.01 -4.74 107.32 99.79 2ckb s GLY 17 Ca 0.58 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 44.13 2ckb s GLY 17 CO 0.72 -0.79 0.58 1.25 0.00 0.00 0.00 173.10 174.86 2ckb s LYS 18 N -1.02 3.22 -0.12 2.90 2.20 -1.16 -2.99 119.74 122.77 2ckb s LYS 18 Ca 0.14 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2ckb s LYS 18 Cb -0.11 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.24 2ckb s LYS 18 CO 0.03 -0.98 -0.17 0.08 -0.36 0.00 0.00 175.35 173.95 2ckb s VAL 19 N 2.62 2.65 -0.08 4.02 1.01 0.41 -4.94 120.40 126.09 2ckb s VAL 19 Ca 0.19 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2ckb s VAL 19 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2ckb s VAL 19 CO 0.17 0.54 -0.18 -0.89 0.00 0.00 0.00 175.10 174.74 2ckb s THR 20 N 0.37 1.59 -0.03 3.92 2.01 -1.26 -0.59 115.64 121.64 2ckb s THR 20 Ca -0.14 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2ckb s THR 20 Cb -0.17 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2ckb s THR 20 CO 0.07 0.46 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.61 2ckb s LEU 21 N 0.52 3.11 0.18 4.42 1.43 -0.97 -4.74 118.68 122.63 2ckb s LEU 21 Ca -0.16 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2ckb s LEU 21 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2ckb s LEU 21 CO 0.06 0.32 -0.17 -0.94 0.23 0.00 0.00 176.35 175.85 2ckb s SER 22 N -1.07 3.83 -0.14 2.29 1.04 0.66 -2.23 113.70 118.08 2ckb s SER 22 Ca 0.14 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 2ckb s SER 22 Cb -0.11 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.57 2ckb s SER 22 CO 0.04 0.12 -0.01 0.00 0.98 0.00 0.00 173.24 174.37 2ckb s ASN 24 N 1.82 5.84 0.32 0.00 -0.87 0.18 -2.21 114.94 120.02 2ckb s ASN 24 Ca 0.02 0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.62 2ckb s ASN 24 Cb -0.14 -1.83 -0.01 0.00 -0.02 0.00 0.00 41.25 39.25 2ckb s ASN 24 CO -0.07 0.36 0.07 0.00 -2.57 0.00 0.00 177.10 174.89 2ckb n GLN 25 N 2.28 0.81 -1.48 -0.60 10.64 -1.26 0.61 117.38 128.39 2ckb n GLN 25 Ca -0.19 -2.59 -0.05 0.00 -1.83 0.00 0.00 57.00 52.34 2ckb n GLN 25 Cb 0.54 1.17 -0.01 0.00 -0.86 0.00 0.00 30.24 31.08 2ckb n GLN 25 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2ckb n THR 26 N -0.75 0.00 0.60 -0.39 -2.24 -1.04 -4.90 114.28 105.56 2ckb n THR 26 Ca -0.08 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2ckb n THR 26 Cb 0.46 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 2ckb n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ckb n ASN 27 N -0.46 0.85 0.00 3.42 3.02 -1.26 -4.20 115.26 116.63 2ckb n ASN 27 Ca -0.23 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 2ckb n ASN 27 Cb 0.72 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 2ckb n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ckb n ASN 28 N -1.53 -3.82 -4.63 6.41 4.05 -1.26 -4.90 115.26 109.57 2ckb n ASN 28 Ca 0.02 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.62 2ckb n ASN 28 Cb 0.29 -2.59 -0.03 0.00 1.23 0.00 0.00 39.78 38.69 2ckb n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2ckb s HIS 29 N -1.34 2.07 0.18 1.20 3.76 -1.26 -4.90 115.29 115.00 2ckb s HIS 29 Ca 0.00 0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 55.28 2ckb s HIS 29 Cb 0.00 -3.96 0.13 0.00 1.11 0.00 0.00 32.58 29.86 2ckb s HIS 29 CO 0.00 -3.08 1.77 -0.91 -0.85 0.00 0.00 174.74 171.67 2ckb h ASN 30 N 10.62 0.30 -3.17 1.40 4.21 -1.85 -3.41 115.58 123.68 2ckb h ASN 30 Ca -0.35 0.04 -0.56 0.00 1.21 0.00 0.00 56.30 56.64 2ckb h ASN 30 Cb 1.16 -0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 38.29 2ckb h ASN 30 CO 0.99 0.21 1.08 0.20 -1.29 0.00 0.00 177.43 178.62 2ckb s ASN 31 N -5.46 6.28 0.19 5.81 0.01 -1.24 -3.47 114.94 117.06 2ckb s ASN 31 Ca -0.13 0.65 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 2ckb s ASN 31 Cb 0.14 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2ckb s ASN 31 CO 0.73 -1.51 0.13 -0.32 -1.51 0.00 0.00 177.10 174.61 2ckb s MET 32 N 5.10 2.81 0.28 -0.60 1.75 -1.13 0.16 119.30 127.67 2ckb s MET 32 Ca 0.58 -0.97 -0.10 0.00 -1.25 0.00 0.00 55.69 53.95 2ckb s MET 32 Cb -0.12 -2.56 0.00 0.00 2.84 0.00 0.00 34.83 34.99 2ckb s MET 32 CO 0.31 0.45 0.49 0.71 -0.65 0.00 0.00 175.02 176.33 2ckb s TYR 33 N -1.87 0.54 -0.21 4.11 1.51 0.15 -2.29 117.35 119.29 2ckb s TYR 33 Ca 0.31 -0.89 -0.04 0.00 -1.01 0.00 0.00 57.07 55.44 2ckb s TYR 33 Cb -0.09 0.16 0.10 0.00 -0.11 0.00 0.00 41.96 42.01 2ckb s TYR 33 CO 0.23 -1.07 0.24 -1.58 -1.11 0.00 0.00 175.55 172.26 2ckb s TRP 34 N -3.63 -0.32 0.25 2.71 0.52 -0.83 -2.22 118.94 115.43 2ckb s TRP 34 Ca 0.24 0.24 0.11 0.00 0.02 0.00 0.00 56.10 56.71 2ckb s TRP 34 Cb -0.01 -0.34 -0.05 0.00 -1.15 0.00 0.00 33.47 31.92 2ckb s TRP 34 CO 0.12 -0.63 -0.13 0.71 0.02 0.00 0.00 176.95 177.05 2ckb s TYR 35 N 2.34 2.47 -0.18 -1.98 2.02 0.32 0.19 117.35 122.54 2ckb s TYR 35 Ca 0.07 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2ckb s TYR 35 Cb -0.16 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.33 2ckb s TYR 35 CO -0.13 0.64 -0.08 -0.98 -1.57 0.00 0.00 175.55 173.42 2ckb s ARG 36 N -3.40 1.78 -0.49 -0.62 1.70 0.24 -1.19 118.95 116.97 2ckb s ARG 36 Ca 0.29 -0.65 -0.29 0.00 -0.47 0.00 0.00 55.73 54.61 2ckb s ARG 36 Cb -0.06 -2.18 0.03 0.00 -0.57 0.00 0.00 34.95 32.17 2ckb s ARG 36 CO 0.16 -0.41 1.12 -1.14 -1.08 0.00 0.00 175.30 173.96 2ckb s GLN 37 N 1.52 3.68 -0.04 3.89 -0.44 -0.29 -2.33 119.66 125.65 2ckb s GLN 37 Ca 0.00 0.49 -0.03 0.00 -2.50 0.00 0.00 55.36 53.32 2ckb s GLN 37 Cb -0.15 -3.92 0.01 0.00 -1.64 0.00 0.00 33.01 27.31 2ckb s GLN 37 CO -0.08 -1.40 0.10 -0.51 0.50 0.00 0.00 175.29 173.90 2ckb s ASP 38 N 2.50 -0.10 0.64 6.67 1.11 -0.69 -3.04 116.67 123.75 2ckb s ASP 38 Ca 0.46 0.20 -0.18 0.00 0.18 0.00 0.00 52.55 53.21 2ckb s ASP 38 Cb -0.07 0.20 -0.01 0.00 1.07 0.00 0.00 42.92 44.10 2ckb s ASP 38 CO 0.31 -0.04 1.29 0.35 1.18 0.00 0.00 175.17 178.26 2ckb n THR 39 N 3.09 4.84 0.00 -1.27 -2.24 -1.26 -0.38 114.28 117.06 2ckb n THR 39 Ca -0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2ckb n THR 39 Cb 0.59 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2ckb n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckb n GLY 40 N 0.92 2.67 0.00 3.38 0.00 -1.26 -4.53 105.19 106.37 2ckb n GLY 40 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2ckb n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ckb n HIS 41 N -1.99 0.00 -3.46 1.61 -0.00 -1.09 -5.12 115.22 105.16 2ckb n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2ckb n HIS 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2ckb n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ckb n GLY 42 N 0.14 2.04 3.87 -1.41 0.00 0.49 -4.57 105.19 105.76 2ckb n GLY 42 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2ckb n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckb s LEU 43 N 0.00 3.67 -0.07 0.99 1.43 -1.26 -1.70 118.68 121.74 2ckb s LEU 43 Ca 0.00 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2ckb s LEU 43 Cb 0.00 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 42.09 2ckb s LEU 43 CO 0.00 -0.53 0.37 -0.13 0.23 0.00 0.00 176.35 176.29 2ckb s ARG 44 N -4.22 0.60 -0.20 1.70 0.52 -0.98 -4.85 118.95 111.52 2ckb s ARG 44 Ca 0.53 0.14 -0.27 0.00 -0.52 0.00 0.00 55.73 55.61 2ckb s ARG 44 Cb -0.10 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.64 2ckb s ARG 44 CO 0.36 -0.14 0.94 -1.17 0.02 0.00 0.00 175.30 175.32 2ckb s LEU 45 N -0.67 4.13 0.00 2.53 2.96 -1.26 0.82 118.68 127.19 2ckb s LEU 45 Ca -0.08 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 2ckb s LEU 45 Cb -0.04 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.26 2ckb s LEU 45 CO 0.03 -0.54 0.00 -0.38 -1.32 0.00 0.00 176.35 174.14 2ckb n ILE 46 N 5.07 0.00 -4.10 6.68 5.41 0.52 0.33 119.36 133.26 2ckb n ILE 46 Ca 0.08 0.38 -0.10 0.00 1.00 0.00 0.00 62.75 64.11 2ckb n ILE 46 Cb 0.47 -1.26 -0.10 0.00 -0.71 0.00 0.00 39.64 38.04 2ckb n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2ckb s HIS 47 N -0.75 0.66 -0.04 1.39 3.76 -1.16 0.14 115.29 119.29 2ckb s HIS 47 Ca 0.00 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 53.97 2ckb s HIS 47 Cb 0.00 -0.42 0.02 0.00 1.11 0.00 0.00 32.58 33.30 2ckb s HIS 47 CO 0.00 -0.20 0.28 1.52 -0.85 0.00 0.00 174.74 175.49 2ckb s TYR 48 N -2.94 -0.19 0.33 1.40 1.13 -1.13 -1.96 117.35 114.00 2ckb s TYR 48 Ca 0.02 0.36 0.06 0.00 -1.41 0.00 0.00 57.07 56.10 2ckb s TYR 48 Cb 0.01 0.08 -0.07 0.00 -1.10 0.00 0.00 41.96 40.88 2ckb s TYR 48 CO -0.05 -0.30 -0.01 -1.54 -2.51 0.00 0.00 175.55 171.14 2ckb s SER 49 N -0.89 3.07 0.00 -0.18 1.04 -0.97 -1.80 113.70 113.97 2ckb s SER 49 Ca -0.10 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2ckb s SER 49 Cb -0.05 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2ckb s SER 49 CO 0.03 -0.42 0.47 -1.22 0.98 0.00 0.00 173.24 173.07 2ckb n TYR 50 N -0.74 0.00 0.00 5.02 4.01 -1.25 -2.84 117.16 121.36 2ckb n TYR 50 Ca -0.04 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2ckb n TYR 50 Cb 0.65 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2ckb n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ckb n GLY 51 N -0.03 4.17 1.51 2.72 0.00 -1.23 -4.53 105.19 107.80 2ckb n GLY 51 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 2ckb n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckb n ALA 52 N -1.74 -0.63 0.00 4.61 0.00 -1.26 -0.69 120.51 120.79 2ckb n ALA 52 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2ckb n ALA 52 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2ckb n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckb n GLY 53 N 1.55 2.50 3.68 0.00 0.00 0.22 -4.99 105.19 108.15 2ckb n GLY 53 Ca 0.12 -0.54 -0.48 0.00 0.00 0.00 0.00 46.02 45.13 2ckb n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ckb n SER 54 N 2.28 3.39 -3.71 1.61 3.41 0.13 -4.90 113.62 115.83 2ckb n SER 54 Ca 0.00 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.49 2ckb n SER 54 Cb 0.00 -1.39 -0.10 0.00 -0.26 0.00 0.00 64.21 62.46 2ckb n SER 54 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ckb s THR 55 N 3.29 -0.01 0.22 6.66 2.01 -1.26 -3.78 115.64 122.78 2ckb s THR 55 Ca 0.89 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.85 2ckb s THR 55 Cb -0.68 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 2ckb s THR 55 CO 0.48 0.01 0.32 -0.70 -0.69 0.00 0.00 174.62 174.04 2ckb s GLU 56 N 0.65 1.38 0.19 4.92 2.12 -0.74 -5.02 118.70 122.19 2ckb s GLU 56 Ca -0.03 -1.42 -0.20 0.00 0.36 0.00 0.00 54.97 53.68 2ckb s GLU 56 Cb -0.05 0.38 -0.08 0.00 0.26 0.00 0.00 34.13 34.64 2ckb s GLU 56 CO -0.04 -0.52 0.69 -1.59 -0.54 0.00 0.00 175.26 173.26 2ckb s LYS 57 N -4.08 4.27 0.00 4.30 -2.85 -1.26 -2.83 119.74 117.28 2ckb s LYS 57 Ca 0.30 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.13 2ckb s LYS 57 Cb 0.03 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.80 2ckb s LYS 57 CO 0.10 0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.43 2ckb n GLY 58 N 1.01 0.65 0.01 0.59 0.00 0.12 -4.82 105.19 102.75 2ckb n GLY 58 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ckb n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ckb n ASP 59 N 0.00 4.23 -4.04 1.61 2.03 0.15 -4.79 116.55 115.74 2ckb n ASP 59 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2ckb n ASP 59 Cb 0.00 0.92 -0.12 0.00 -0.72 0.00 0.00 41.12 41.21 2ckb n ASP 59 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ckb s ILE 60 N -2.17 3.21 -0.25 5.18 1.01 -0.34 -4.93 121.20 122.90 2ckb s ILE 60 Ca -0.01 -2.99 0.01 0.00 0.00 0.00 0.00 60.65 57.65 2ckb s ILE 60 Cb 0.02 -3.15 -0.16 0.00 0.01 0.00 0.00 42.46 39.17 2ckb s ILE 60 CO 0.14 -0.82 -0.23 -0.81 0.00 0.00 0.00 174.94 173.21 2ckb n PRO 61 N 3.47 0.63 -1.68 2.79 -0.04 -1.26 -4.29 135.00 134.62 2ckb n PRO 61 Ca 0.06 0.16 -0.65 0.00 -0.04 0.00 0.00 63.50 63.02 2ckb n PRO 61 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2ckb n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ckb n ASP 62 N -3.33 0.94 0.00 3.54 8.00 -1.26 -1.23 116.55 123.21 2ckb n ASP 62 Ca -0.46 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.22 2ckb n ASP 62 Cb 0.97 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2ckb n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ckb n GLY 63 N 3.34 2.88 3.88 0.44 0.00 -1.26 -5.00 105.19 109.47 2ckb n GLY 63 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2ckb n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ckb s TYR 65 N -0.88 3.55 0.19 1.61 1.51 -0.37 -4.29 117.35 118.67 2ckb s TYR 65 Ca 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 2ckb s TYR 65 Cb 0.00 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2ckb s TYR 65 CO 0.00 0.51 0.07 0.15 -1.11 0.00 0.00 175.55 175.17 2ckb s LYS 66 N -2.11 1.17 0.02 -0.62 1.02 -0.19 -4.97 119.74 114.06 2ckb s LYS 66 Ca 0.34 -1.59 -0.17 0.00 0.02 0.00 0.00 55.97 54.57 2ckb s LYS 66 Cb -0.13 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.19 2ckb s LYS 66 CO 0.20 -0.26 0.38 0.00 -0.92 0.00 0.00 175.35 174.74 2ckb s ALA 67 N -3.89 -0.93 -0.01 5.17 0.00 -1.26 0.71 121.76 121.55 2ckb s ALA 67 Ca 0.31 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2ckb s ALA 67 Cb 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 2ckb s ALA 67 CO 0.08 -0.39 -0.18 0.45 0.00 0.00 0.00 175.76 175.71 2ckb s SER 68 N -1.80 2.17 -0.52 0.00 0.15 -0.77 -4.97 113.70 107.96 2ckb s SER 68 Ca -0.08 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.27 2ckb s SER 68 Cb -0.02 -0.23 0.17 0.00 -1.71 0.00 0.00 66.02 64.23 2ckb s SER 68 CO -0.00 0.22 0.40 -0.60 1.20 0.00 0.00 173.24 174.45 2ckb s ARG 69 N -0.51 1.49 -0.15 5.44 6.06 -1.26 -2.27 118.95 127.75 2ckb s ARG 69 Ca 0.07 -2.57 -0.25 0.00 -2.50 0.00 0.00 55.73 50.47 2ckb s ARG 69 Cb -0.07 -2.18 -0.25 0.00 0.06 0.00 0.00 34.95 32.51 2ckb s ARG 69 CO -0.00 -1.35 0.62 -1.00 -2.50 0.00 0.00 175.30 171.07 2ckb h PRO 70 N 5.56 0.05 -6.08 5.12 0.13 -1.95 0.66 132.00 135.48 2ckb h PRO 70 Ca 0.22 -0.08 -0.52 0.00 -0.87 0.00 0.00 66.00 64.75 2ckb h PRO 70 Cb 0.85 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.95 2ckb h PRO 70 CO 0.50 1.04 -0.45 -1.12 -0.23 0.00 0.00 178.00 177.74 2ckb s SER 71 N -6.52 4.83 0.00 1.44 0.01 -1.26 -4.79 113.70 107.42 2ckb s SER 71 Ca -0.21 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2ckb s SER 71 Cb 0.00 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2ckb s SER 71 CO 0.68 -0.51 0.68 1.67 0.41 0.00 0.00 173.24 176.18 2ckb n GLN 72 N -1.36 0.76 0.03 12.44 0.00 -1.26 -3.81 117.38 124.19 2ckb n GLN 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2ckb n GLN 72 Cb 0.62 -1.08 0.00 0.00 0.00 0.00 0.00 30.24 29.78 2ckb n GLN 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ckb n GLU 73 N -0.37 0.00 -2.05 3.69 1.02 -1.26 -4.80 120.64 116.86 2ckb n GLU 73 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2ckb n GLU 73 Cb 0.04 -0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 2ckb n GLU 73 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2ckb s ASN 74 N -5.12 6.43 0.27 1.62 -0.87 -1.25 -4.11 114.94 111.91 2ckb s ASN 74 Ca 0.00 1.84 0.12 0.00 -1.57 0.00 0.00 52.86 53.25 2ckb s ASN 74 Cb 0.00 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.65 2ckb s ASN 74 CO 0.00 -1.18 -0.19 0.12 -2.57 0.00 0.00 177.10 173.28 2ckb s PHE 75 N 4.96 2.32 -0.30 2.20 5.36 -0.94 -3.56 117.98 128.03 2ckb s PHE 75 Ca 0.73 -0.33 -0.14 0.00 -0.96 0.00 0.00 56.93 56.24 2ckb s PHE 75 Cb -0.28 -1.03 0.14 0.00 -0.34 0.00 0.00 43.02 41.51 2ckb s PHE 75 CO 0.29 0.68 0.84 -1.54 -1.46 0.00 0.00 175.22 174.04 2ckb s SER 76 N -3.39 -0.80 -0.20 6.13 1.04 -0.96 -0.80 113.70 114.72 2ckb s SER 76 Ca 0.29 1.14 -0.24 0.00 0.48 0.00 0.00 55.95 57.61 2ckb s SER 76 Cb -0.06 1.77 -0.01 0.00 0.10 0.00 0.00 66.02 67.83 2ckb s SER 76 CO 0.15 -0.16 0.78 -0.22 0.98 0.00 0.00 173.24 174.76 2ckb s LEU 77 N 2.34 4.13 -0.19 2.42 2.96 -0.95 -1.84 118.68 127.55 2ckb s LEU 77 Ca -0.06 1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2ckb s LEU 77 Cb -0.08 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 2ckb s LEU 77 CO -0.18 -0.41 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.73 2ckb s ILE 78 N 2.34 3.20 -0.26 6.68 1.01 0.22 -2.30 121.20 132.11 2ckb s ILE 78 Ca 0.35 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2ckb s ILE 78 Cb -0.16 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.93 2ckb s ILE 78 CO 0.10 0.46 -0.07 -1.48 0.00 0.00 0.00 174.94 173.95 2ckb s LEU 79 N 1.13 3.30 -0.18 2.97 2.34 0.24 -1.03 118.68 127.45 2ckb s LEU 79 Ca 0.01 -1.03 -0.14 0.00 0.06 0.00 0.00 54.13 53.03 2ckb s LEU 79 Cb -0.14 -1.64 -0.08 0.00 -0.56 0.00 0.00 46.19 43.76 2ckb s LEU 79 CO -0.02 -0.16 -0.15 -0.62 -1.06 0.00 0.00 176.35 174.34 2ckb n GLU 80 N 4.61 0.51 -2.02 1.48 1.02 -1.26 0.16 120.64 125.14 2ckb n GLU 80 Ca -0.16 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 57.01 2ckb n GLU 80 Cb 0.46 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2ckb n GLU 80 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2ckb n LEU 81 N -4.50 7.81 -4.74 -4.62 7.94 -1.26 -3.01 117.00 114.63 2ckb n LEU 81 Ca -0.20 -4.80 -0.42 0.00 -1.11 0.00 0.00 56.01 49.48 2ckb n LEU 81 Cb 0.49 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.02 2ckb n LEU 81 CO 0.14 1.92 1.27 0.00 -1.11 0.00 0.00 177.39 179.60 2ckb s ALA 82 N -0.61 3.80 0.01 1.96 0.00 -1.16 -4.78 121.76 120.98 2ckb s ALA 82 Ca 0.52 1.52 0.02 0.00 0.00 0.00 0.00 51.96 54.02 2ckb s ALA 82 Cb 0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2ckb s ALA 82 CO -0.07 -0.91 -0.05 0.95 0.00 0.00 0.00 175.76 175.68 2ckb s THR 83 N 0.52 0.40 0.16 0.00 -4.23 -1.26 -0.21 115.64 111.01 2ckb s THR 83 Ca 0.67 -0.44 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 2ckb s THR 83 Cb -0.47 -0.38 0.14 0.00 1.34 0.00 0.00 72.50 73.12 2ckb s THR 83 CO 0.40 -0.04 1.32 1.55 -0.54 0.00 0.00 174.62 177.31 2ckb h PRO 84 N 5.61 0.00 -0.27 3.99 0.13 -1.91 0.30 132.00 139.85 2ckb h PRO 84 Ca -0.30 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 2ckb h PRO 84 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ckb h PRO 84 CO 0.48 0.00 0.19 0.77 -0.23 0.00 0.00 178.00 179.20 2ckb h SER 85 N 0.00 0.15 -0.06 1.44 0.02 -1.96 0.27 113.55 113.41 2ckb h SER 85 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2ckb h SER 85 Cb 0.74 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2ckb h SER 85 CO 0.00 0.10 0.05 0.00 -1.14 0.00 0.00 176.83 175.84 2ckb n GLN 86 N -4.49 1.09 -3.61 3.45 6.02 0.10 -4.79 117.38 115.16 2ckb n GLN 86 Ca 0.03 -0.20 -0.37 0.00 -0.01 0.00 0.00 57.00 56.45 2ckb n GLN 86 Cb 0.22 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 2ckb n GLN 86 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2ckb s THR 87 N -0.25 5.33 -1.46 5.09 -1.32 0.95 -4.79 115.64 119.19 2ckb s THR 87 Ca 0.04 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2ckb s THR 87 Cb 0.03 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2ckb s THR 87 CO 0.00 0.34 0.00 -0.24 -2.21 0.00 0.00 174.62 172.51 2ckb n SER 88 N 4.19 0.00 -4.60 8.08 2.88 -0.53 -5.00 113.62 118.64 2ckb n SER 88 Ca -0.14 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.01 2ckb n SER 88 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 2ckb n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ckb s VAL 89 N -2.23 5.19 -0.06 2.46 1.01 -1.17 0.35 120.40 125.94 2ckb s VAL 89 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 2ckb s VAL 89 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2ckb s VAL 89 CO 0.00 0.13 0.20 -0.31 0.00 0.00 0.00 175.10 175.13 2ckb s TYR 90 N 2.03 3.60 -0.00 5.22 1.51 -0.06 -1.14 117.35 128.51 2ckb s TYR 90 Ca 0.14 0.57 0.02 0.00 -1.01 0.00 0.00 57.07 56.78 2ckb s TYR 90 Cb -0.16 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 2ckb s TYR 90 CO 0.10 0.69 -0.07 -0.06 -1.11 0.00 0.00 175.55 175.10 2ckb s PHE 91 N -1.13 0.66 0.40 2.71 0.08 -0.33 -1.59 117.98 118.78 2ckb s PHE 91 Ca 0.20 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.10 2ckb s PHE 91 Cb -0.13 -0.42 -0.00 0.00 -0.57 0.00 0.00 43.02 41.90 2ckb s PHE 91 CO 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 175.22 175.20 2ckb s ALA 93 N -2.70 -2.19 0.19 0.00 0.00 -0.94 -3.26 121.76 112.85 2ckb s ALA 93 Ca 0.00 1.92 0.07 0.00 0.00 0.00 0.00 51.96 53.96 2ckb s ALA 93 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2ckb s ALA 93 CO 0.00 -0.47 0.02 -1.54 0.00 0.00 0.00 175.76 173.77 2ckb s SER 94 N -1.78 4.82 -0.29 0.00 1.04 -0.76 0.34 113.70 117.08 2ckb s SER 94 Ca 0.11 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 2ckb s SER 94 Cb -0.01 -1.04 0.14 0.00 0.10 0.00 0.00 66.02 65.21 2ckb s SER 94 CO -0.04 0.07 1.02 -0.83 0.98 0.00 0.00 173.24 174.44 2ckb s GLY 95 N -3.07 -0.03 -0.46 7.32 0.00 0.44 0.29 107.32 111.81 2ckb s GLY 95 Ca 0.28 3.02 -0.10 0.00 0.00 0.00 0.00 44.72 47.93 2ckb s GLY 95 CO 0.19 2.33 0.33 -0.32 0.00 0.00 0.00 173.10 175.63 2ckb s GLY 96 N 0.93 2.02 0.00 0.20 0.00 -1.26 -3.70 107.32 105.51 2ckb s GLY 96 Ca -0.04 -2.42 0.00 0.00 0.00 0.00 0.00 44.72 42.26 2ckb s GLY 96 CO -0.12 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.66 2ckb n GLY 97 N 4.94 1.48 0.00 0.20 0.00 -1.26 -2.95 105.19 107.60 2ckb n GLY 97 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ckb n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckb n GLY 98 N 0.00 0.00 2.84 -0.02 0.00 -1.26 -5.05 105.19 101.71 2ckb n GLY 98 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ckb n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ckb n THR 105 N 0.00 3.59 -1.72 2.61 5.66 -1.15 -5.06 114.28 118.21 2ckb n THR 105 Ca 0.00 -5.63 -0.43 0.00 -3.05 0.00 0.00 64.05 54.94 2ckb n THR 105 Cb 0.00 -1.50 -0.03 0.00 -1.55 0.00 0.00 70.33 67.25 2ckb n THR 105 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2ckb n LEU 106 N -0.09 3.95 -4.14 1.09 4.77 -1.26 -4.19 117.00 117.12 2ckb n LEU 106 Ca 0.34 1.08 -0.35 0.00 -0.03 0.00 0.00 56.01 57.05 2ckb n LEU 106 Cb 0.37 -1.56 -0.13 0.00 -2.33 0.00 0.00 43.42 39.77 2ckb n LEU 106 CO 0.38 0.11 -0.29 -0.31 -1.33 0.00 0.00 177.39 175.96 2ckb s TYR 107 N 0.90 3.42 0.82 -1.77 1.51 0.14 -4.94 117.35 117.44 2ckb s TYR 107 Ca 0.73 -2.15 -0.12 0.00 -1.01 0.00 0.00 57.07 54.52 2ckb s TYR 107 Cb -0.53 -2.56 0.09 0.00 -0.11 0.00 0.00 41.96 38.86 2ckb s TYR 107 CO 0.36 -0.87 1.19 -0.06 -1.11 0.00 0.00 175.55 175.05 2ckb s PHE 108 N 1.18 2.79 0.52 2.71 0.40 -1.26 -1.83 117.98 122.49 2ckb s PHE 108 Ca 0.01 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 57.03 2ckb s PHE 108 Cb -0.21 -3.55 -0.01 0.00 0.51 0.00 0.00 43.02 39.76 2ckb s PHE 108 CO -0.03 -1.86 0.03 0.20 0.70 0.00 0.00 175.22 174.26 2ckb s GLY 109 N -4.61 3.00 0.30 4.36 0.00 -1.20 -4.71 107.32 104.46 2ckb s GLY 109 Ca 0.63 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 45.02 2ckb s GLY 109 CO 0.49 -2.19 1.78 0.00 0.00 0.00 0.00 173.10 173.19 2ckb h ALA 110 N 1.30 1.65 0.00 3.20 0.00 -1.89 -3.47 119.26 120.05 2ckb h ALA 110 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ckb h ALA 110 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ckb h ALA 110 CO 0.73 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2ckb n GLY 111 N -1.33 -1.12 3.54 0.00 0.00 -1.26 -5.06 105.19 99.95 2ckb n GLY 111 Ca 0.23 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 2ckb n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckb s THR 112 N -0.85 -0.37 -0.55 2.61 2.01 -0.62 -4.39 115.64 113.47 2ckb s THR 112 Ca 0.00 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 2ckb s THR 112 Cb 0.00 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.66 2ckb s THR 112 CO 0.00 0.01 0.86 -0.13 -0.69 0.00 0.00 174.62 174.68 2ckb s ARG 113 N 2.09 3.25 -0.43 4.92 0.52 0.02 -0.88 118.95 128.44 2ckb s ARG 113 Ca -0.08 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2ckb s ARG 113 Cb -0.08 -4.08 0.03 0.00 0.52 0.00 0.00 34.95 31.33 2ckb s ARG 113 CO -0.18 -1.46 0.35 -1.17 0.02 0.00 0.00 175.30 172.87 2ckb s LEU 114 N 3.63 5.15 -0.45 2.53 2.96 0.15 -2.08 118.68 130.56 2ckb s LEU 114 Ca 0.26 -0.93 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 2ckb s LEU 114 Cb -0.15 -2.22 0.13 0.00 0.50 0.00 0.00 46.19 44.45 2ckb s LEU 114 CO 0.16 -0.52 0.21 -0.44 -1.32 0.00 0.00 176.35 174.44 2ckb s SER 115 N 1.89 4.08 0.04 3.68 0.01 -0.69 -1.46 113.70 121.25 2ckb s SER 115 Ca 0.07 -2.66 -0.12 0.00 1.31 0.00 0.00 55.95 54.55 2ckb s SER 115 Cb -0.20 -1.34 -0.06 0.00 0.21 0.00 0.00 66.02 64.64 2ckb s SER 115 CO 0.10 -0.28 0.40 -0.69 0.41 0.00 0.00 173.24 173.18 2ckb s VAL 116 N 0.25 5.07 0.44 3.43 1.01 -1.25 -1.15 120.40 128.20 2ckb s VAL 116 Ca 0.16 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2ckb s VAL 116 Cb -0.24 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2ckb s VAL 116 CO -0.03 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 2ckb s LEU 116 N -1.48 2.13 -0.03 3.92 1.43 0.21 -4.43 118.68 120.43 2ckb s LEU 116 Ca 0.28 -1.65 0.04 0.00 -1.03 0.00 0.00 54.13 51.76 2ckb s LEU 116 Cb -0.15 -0.36 -0.25 0.00 0.03 0.00 0.00 46.19 45.46 2ckb s LEU 116 CO 0.15 -0.88 0.70 -0.33 0.23 0.00 0.00 176.35 176.22 2ckb h GLU 117 N 1.64 0.13 -3.63 1.70 5.08 -1.96 0.19 114.58 117.72 2ckb h GLU 117 Ca -0.39 -0.22 -0.38 0.00 -1.00 0.00 0.00 59.36 57.38 2ckb h GLU 117 Cb 1.29 0.08 -0.36 0.00 0.50 0.00 0.00 28.75 30.25 2ckb h GLU 117 CO 0.64 0.86 -0.75 0.34 -1.00 0.00 0.00 179.01 179.10 2ckb s ASP 118 N -6.59 0.94 0.00 1.42 -1.08 -1.26 -4.79 116.67 105.31 2ckb s ASP 118 Ca -0.09 -0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.16 2ckb s ASP 118 Cb 0.08 -0.27 1.14 0.00 -1.46 0.00 0.00 42.92 42.40 2ckb s ASP 118 CO 0.82 -0.16 1.80 -0.11 0.52 0.00 0.00 175.17 178.04 2ckb n LEU 119 N 4.69 0.00 0.06 -1.34 7.94 -1.26 -3.16 117.00 123.94 2ckb n LEU 119 Ca -0.15 0.39 0.01 0.00 -1.11 0.00 0.00 56.01 55.14 2ckb n LEU 119 Cb 0.50 -0.39 -0.05 0.00 0.53 0.00 0.00 43.42 44.01 2ckb n LEU 119 CO 0.15 -0.07 -0.07 0.03 -1.11 0.00 0.00 177.39 176.33 2ckb h ARG 120 N 0.00 0.00 -5.75 1.96 3.08 -1.95 -3.42 114.38 108.31 2ckb h ARG 120 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2ckb h ARG 120 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2ckb h ARG 120 CO 0.00 0.36 0.89 1.21 -1.07 0.00 0.00 179.97 181.36 2ckb s ASN 121 N -5.99 5.01 0.25 7.04 3.84 -1.19 -4.77 114.94 119.14 2ckb s ASN 121 Ca -0.01 -0.22 -0.02 0.00 0.21 0.00 0.00 52.86 52.82 2ckb s ASN 121 Cb 0.08 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2ckb s ASN 121 CO 0.79 -2.76 0.37 1.33 -2.79 0.00 0.00 177.10 174.04 2ckb n VAL 122 N 7.79 0.00 0.00 -5.21 0.24 -1.26 -4.81 118.33 115.07 2ckb n VAL 122 Ca 0.35 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 2ckb n VAL 122 Cb 0.48 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 2ckb n VAL 122 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ckb n THR 123 N -0.41 0.00 -1.59 3.34 -2.24 -1.26 -4.63 114.28 107.49 2ckb n THR 123 Ca -0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2ckb n THR 123 Cb 0.42 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 2ckb n THR 123 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2ckb n PRO 124 N 0.00 0.80 -1.73 -0.78 -0.02 -1.26 -2.86 135.00 129.15 2ckb n PRO 124 Ca 0.00 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2ckb n PRO 124 Cb 0.00 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 2ckb n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ckb n PRO 125 N -0.90 2.58 -3.54 0.52 -0.02 -1.26 -4.59 135.00 127.80 2ckb n PRO 125 Ca 0.14 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 2ckb n PRO 125 Cb 0.48 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 2ckb n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ckb s LYS 126 N -0.59 2.59 0.17 -0.52 2.20 -0.08 -4.85 119.74 118.66 2ckb s LYS 126 Ca 0.64 -1.65 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2ckb s LYS 126 Cb -0.52 -3.93 -0.04 0.00 -1.51 0.00 0.00 37.83 31.83 2ckb s LYS 126 CO 0.50 -1.13 -0.07 0.14 -0.36 0.00 0.00 175.35 174.42 2ckb s VAL 127 N 1.42 3.34 -0.05 4.02 -7.23 -1.26 0.53 120.40 121.17 2ckb s VAL 127 Ca 0.05 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.59 2ckb s VAL 127 Cb -0.26 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2ckb s VAL 127 CO 0.01 -0.08 0.18 -0.94 -0.31 0.00 0.00 175.10 173.95 2ckb s SER 128 N -2.79 -0.14 -0.03 4.85 1.04 -1.02 -4.73 113.70 110.89 2ckb s SER 128 Ca 0.25 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.71 2ckb s SER 128 Cb -0.09 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2ckb s SER 128 CO 0.16 -0.14 0.58 -0.22 0.98 0.00 0.00 173.24 174.60 2ckb s LEU 129 N -0.27 4.39 0.36 2.42 2.96 -1.26 -3.05 118.68 124.22 2ckb s LEU 129 Ca -0.04 1.10 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 2ckb s LEU 129 Cb -0.03 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 2ckb s LEU 129 CO 0.01 0.07 0.34 -0.36 -1.32 0.00 0.00 176.35 175.08 2ckb s PHE 130 N 0.02 2.85 0.31 5.38 0.40 -1.19 -5.03 117.98 120.73 2ckb s PHE 130 Ca 0.31 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.37 2ckb s PHE 130 Cb -0.18 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 2ckb s PHE 130 CO 0.16 0.06 -0.11 -1.21 0.70 0.00 0.00 175.22 174.83 2ckb s GLU 131 N -4.06 1.71 0.23 0.44 2.02 -1.26 -4.58 118.70 113.20 2ckb s GLU 131 Ca 0.44 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 2ckb s GLU 131 Cb -0.05 -1.56 -0.09 0.00 0.10 0.00 0.00 34.13 32.52 2ckb s GLU 131 CO 0.27 0.15 1.37 -1.25 0.02 0.00 0.00 175.26 175.83 2ckb s PRO 132 N -3.62 4.33 -0.03 0.39 0.04 -1.24 -4.92 135.00 129.95 2ckb s PRO 132 Ca 0.31 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2ckb s PRO 132 Cb 0.01 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2ckb s PRO 132 CO 0.15 -0.33 1.47 0.45 0.04 0.00 0.00 177.00 178.78 2ckb s SER 133 N 0.30 6.79 0.38 6.66 0.15 -1.26 -4.86 113.70 121.86 2ckb s SER 133 Ca 0.57 2.13 0.15 0.00 0.70 0.00 0.00 55.95 59.50 2ckb s SER 133 Cb -0.39 -2.55 1.00 0.00 -1.71 0.00 0.00 66.02 62.36 2ckb s SER 133 CO 0.41 -0.80 1.81 0.11 1.20 0.00 0.00 173.24 175.98 2ckb h LYS 134 N 8.37 0.49 0.18 5.44 1.79 -1.97 0.69 116.57 131.56 2ckb h LYS 134 Ca -0.37 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.08 2ckb h LYS 134 Cb 1.17 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.67 2ckb h LYS 134 CO 0.93 0.32 -0.36 0.00 -1.08 0.00 0.00 179.45 179.26 2ckb h ALA 135 N 1.62 -0.67 -0.05 3.86 0.00 -1.97 1.66 119.26 123.72 2ckb h ALA 135 Ca 0.54 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.41 2ckb h ALA 135 Cb 1.20 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 2ckb h ALA 135 CO -0.27 -0.93 -0.33 1.49 0.00 0.00 0.00 179.25 179.21 2ckb h GLU 136 N -0.63 -0.44 -0.31 0.00 4.81 -0.19 1.10 114.58 118.92 2ckb h GLU 136 Ca 0.01 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2ckb h GLU 136 Cb 0.63 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 2ckb h GLU 136 CO -0.17 -0.29 -0.42 0.82 -0.73 0.00 0.00 179.01 178.22 2ckb h ILE 137 N -0.45 0.00 0.00 2.32 2.04 0.86 0.16 117.51 122.43 2ckb h ILE 137 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2ckb h ILE 137 Cb 0.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ckb h ILE 137 CO -0.30 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.85 2ckb n ALA 138 N -2.99 -0.15 0.07 1.87 0.00 0.56 0.05 120.51 119.92 2ckb n ALA 138 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2ckb n ALA 138 Cb 0.25 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.85 2ckb n ALA 138 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ckb n ASN 139 N -1.46 0.00 -0.02 0.00 4.05 0.38 -2.12 115.26 116.09 2ckb n ASN 139 Ca 0.00 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.52 2ckb n ASN 139 Cb 0.00 -0.09 0.00 0.00 1.23 0.00 0.00 39.78 40.92 2ckb n ASN 139 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2ckb n LYS 140 N -2.44 0.00 -1.76 1.20 5.02 0.54 -4.98 118.16 115.74 2ckb n LYS 140 Ca 0.08 -0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 55.93 2ckb n LYS 140 Cb 1.00 -0.30 -0.04 0.00 -0.02 0.00 0.00 35.03 35.67 2ckb n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ckb n GLN 141 N 0.00 -1.59 -4.34 1.97 3.00 0.11 -4.95 117.38 111.57 2ckb n GLN 141 Ca 0.00 0.75 -0.18 0.00 -0.01 0.00 0.00 57.00 57.56 2ckb n GLN 141 Cb 0.51 -5.12 -0.10 0.00 0.00 0.00 0.00 30.24 25.53 2ckb n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2ckb s LYS 142 N -3.80 1.51 -0.29 -1.09 -0.14 -1.25 -1.77 119.74 112.91 2ckb s LYS 142 Ca 0.00 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 52.75 2ckb s LYS 142 Cb 0.00 -0.29 0.12 0.00 -1.68 0.00 0.00 37.83 35.98 2ckb s LYS 142 CO 0.00 -0.34 0.22 0.00 -0.76 0.00 0.00 175.35 174.48 2ckb s ALA 143 N -3.65 -0.00 0.40 5.17 0.00 1.11 -3.61 121.76 121.18 2ckb s ALA 143 Ca 0.36 -0.64 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 2ckb s ALA 143 Cb 0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 2ckb s ALA 143 CO 0.15 -1.68 1.04 0.95 0.00 0.00 0.00 175.76 176.21 2ckb s THR 144 N 2.25 3.80 -0.43 0.00 -4.23 -1.26 -0.92 115.64 114.86 2ckb s THR 144 Ca 0.09 1.34 0.06 0.00 -1.18 0.00 0.00 61.69 62.00 2ckb s THR 144 Cb -0.15 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.22 2ckb s THR 144 CO -0.35 -0.03 0.50 0.18 -0.54 0.00 0.00 174.62 174.38 2ckb n LEU 145 N -0.15 -0.94 -4.70 4.79 4.77 0.53 -3.59 117.00 117.71 2ckb n LEU 145 Ca 0.05 -4.16 -0.38 0.00 -0.03 0.00 0.00 56.01 51.49 2ckb n LEU 145 Cb 0.50 0.63 0.05 0.00 -2.33 0.00 0.00 43.42 42.28 2ckb n LEU 145 CO 0.44 1.94 0.84 1.33 -1.33 0.00 0.00 177.39 180.61 2ckb n VAL 146 N 2.34 4.16 -4.00 4.08 0.24 -1.25 -3.49 118.33 120.41 2ckb n VAL 146 Ca 0.24 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 2ckb n VAL 146 Cb 0.52 -1.46 -0.16 0.00 -1.47 0.00 0.00 33.84 31.27 2ckb n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckb s LEU 148 N 1.33 3.76 -0.06 0.00 2.96 -1.17 -2.24 118.68 123.27 2ckb s LEU 148 Ca -0.04 0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2ckb s LEU 148 Cb -0.18 -3.69 0.03 0.00 0.50 0.00 0.00 46.19 42.85 2ckb s LEU 148 CO -0.07 -0.48 0.13 0.00 -1.32 0.00 0.00 176.35 174.61 2ckb s ALA 149 N -2.59 -0.23 0.32 5.97 0.00 0.30 -2.42 121.76 123.09 2ckb s ALA 149 Ca 0.45 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2ckb s ALA 149 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2ckb s ALA 149 CO 0.42 -0.13 0.12 1.03 0.00 0.00 0.00 175.76 177.20 2ckb s ARG 150 N 0.92 1.62 -0.57 0.00 0.52 0.19 -1.36 118.95 120.26 2ckb s ARG 150 Ca -0.07 -1.92 -0.10 0.00 -0.52 0.00 0.00 55.73 53.12 2ckb s ARG 150 Cb -0.09 -0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.05 2ckb s ARG 150 CO -0.04 -0.38 0.50 0.41 0.02 0.00 0.00 175.30 175.80 2ckb n GLY 151 N -0.63 -0.68 2.95 -3.53 0.00 -1.15 -0.90 105.19 101.25 2ckb n GLY 151 Ca -0.01 0.62 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 2ckb n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ckb s PHE 152 N -2.29 0.01 -0.12 1.61 -0.71 -1.21 -4.27 117.98 111.00 2ckb s PHE 152 Ca 0.10 -0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.93 2ckb s PHE 152 Cb -0.01 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2ckb s PHE 152 CO 0.71 -0.07 -0.02 0.27 -1.34 0.00 0.00 175.22 174.77 2ckb h PHE 153 N 5.69 0.00 -3.58 3.49 -0.00 -1.78 -2.88 116.94 117.87 2ckb h PHE 153 Ca -0.26 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.07 2ckb h PHE 153 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.02 2ckb h PHE 153 CO 0.47 0.08 0.06 -1.25 -0.00 0.00 0.00 178.31 177.66 2ckb s PRO 154 N -1.84 3.69 0.00 6.09 0.05 -1.26 -4.87 135.00 136.87 2ckb s PRO 154 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 61.00 60.99 2ckb s PRO 154 Cb 0.01 -3.79 0.00 0.00 0.05 0.00 0.00 34.50 30.76 2ckb s PRO 154 CO 0.12 -0.67 0.10 -0.40 0.05 0.00 0.00 177.00 176.20 2ckb n ASP 155 N 5.88 0.19 -3.80 6.66 5.68 -1.26 -4.36 116.55 125.54 2ckb n ASP 155 Ca -0.03 -0.39 -0.42 0.00 -0.50 0.00 0.00 54.79 53.46 2ckb n ASP 155 Cb 0.49 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 2ckb n ASP 155 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2ckb n HIS 156 N 0.40 3.02 -4.15 2.11 8.25 -1.26 -4.85 115.22 118.74 2ckb n HIS 156 Ca 0.00 -2.49 -0.15 0.00 -0.26 0.00 0.00 57.72 54.82 2ckb n HIS 156 Cb 0.05 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 28.77 2ckb n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2ckb s VAL 157 N 4.27 0.89 -0.21 1.59 -7.23 -1.26 0.82 120.40 119.26 2ckb s VAL 157 Ca 0.52 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2ckb s VAL 157 Cb 0.13 -1.12 0.11 0.00 0.56 0.00 0.00 36.38 36.05 2ckb s VAL 157 CO 0.01 -0.44 0.31 -1.61 -0.31 0.00 0.00 175.10 173.05 2ckb s GLU 158 N -2.27 0.26 -0.28 4.82 8.01 -0.61 -5.02 118.70 123.62 2ckb s GLU 158 Ca 0.00 0.46 -0.12 0.00 0.01 0.00 0.00 54.97 55.32 2ckb s GLU 158 Cb -0.06 -0.67 -0.05 0.00 -4.31 0.00 0.00 34.13 29.04 2ckb s GLU 158 CO 0.01 -0.59 0.22 -1.17 0.01 0.00 0.00 175.26 173.74 2ckb s LEU 159 N 2.45 4.03 0.29 1.80 2.96 -1.26 -2.01 118.68 126.93 2ckb s LEU 159 Ca 0.08 0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.13 2ckb s LEU 159 Cb -0.15 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 2ckb s LEU 159 CO -0.13 -0.07 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.82 2ckb s SER 160 N 1.74 4.14 0.14 3.68 1.04 0.70 -4.97 113.70 120.17 2ckb s SER 160 Ca 0.08 -0.85 0.06 0.00 0.48 0.00 0.00 55.95 55.71 2ckb s SER 160 Cb -0.16 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 2ckb s SER 160 CO 0.11 -0.04 0.05 0.26 0.98 0.00 0.00 173.24 174.60 2ckb s TRP 161 N -2.43 3.01 -0.41 5.02 0.52 -1.26 -1.18 118.94 122.20 2ckb s TRP 161 Ca 0.32 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.43 2ckb s TRP 161 Cb -0.04 -1.48 0.17 0.00 -1.15 0.00 0.00 33.47 30.96 2ckb s TRP 161 CO 0.18 0.51 0.36 -1.58 0.02 0.00 0.00 176.95 176.44 2ckb s TRP 162 N -1.59 0.79 0.20 -1.98 0.52 0.15 -0.45 118.94 116.59 2ckb s TRP 162 Ca 0.28 -2.10 -0.19 0.00 0.02 0.00 0.00 56.10 54.12 2ckb s TRP 162 Cb -0.10 -0.79 -0.08 0.00 -1.15 0.00 0.00 33.47 31.34 2ckb s TRP 162 CO 0.20 -0.87 0.69 0.08 0.02 0.00 0.00 176.95 177.07 2ckb s VAL 163 N 0.23 4.61 0.00 4.03 1.01 -0.37 -1.56 120.40 128.36 2ckb s VAL 163 Ca 0.31 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2ckb s VAL 163 Cb 0.01 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2ckb s VAL 163 CO -0.17 0.25 0.00 -3.20 0.00 0.00 0.00 175.10 171.99 2ckb n ASN 164 N 0.85 -0.51 0.00 3.32 2.85 -0.96 0.26 115.26 121.07 2ckb n ASN 164 Ca -0.03 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2ckb n ASN 164 Cb 0.51 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.89 2ckb n ASN 164 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ckb n GLY 165 N -0.25 0.46 3.42 8.20 0.00 -1.26 -4.96 105.19 110.80 2ckb n GLY 165 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2ckb n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckb s LYS 166 N -0.70 1.52 0.66 1.61 1.02 0.14 -5.10 119.74 118.89 2ckb s LYS 166 Ca 0.00 -1.49 -0.16 0.00 0.02 0.00 0.00 55.97 54.33 2ckb s LYS 166 Cb 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2ckb s LYS 166 CO 0.00 0.41 1.18 -2.00 -0.92 0.00 0.00 175.35 174.02 2ckb s GLU 167 N -2.59 2.62 0.23 1.68 2.12 -1.26 -1.23 118.70 120.28 2ckb s GLU 167 Ca 0.20 1.69 0.10 0.00 0.36 0.00 0.00 54.97 57.32 2ckb s GLU 167 Cb -0.08 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 2ckb s GLU 167 CO 0.09 -1.45 -0.06 0.08 -0.54 0.00 0.00 175.26 173.39 2ckb s VAL 168 N -1.92 3.24 0.00 3.70 1.01 0.41 -4.80 120.40 122.04 2ckb s VAL 168 Ca 0.74 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2ckb s VAL 168 Cb -0.27 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2ckb s VAL 168 CO 0.39 -0.28 0.00 1.41 0.00 0.00 0.00 175.10 176.63 2ckb n HIS 169 N -0.50 0.00 -2.15 5.22 8.25 -1.26 -4.50 115.22 120.28 2ckb n HIS 169 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 2ckb n HIS 169 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 2ckb n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ckb s SER 170 N 0.00 6.79 -1.65 0.41 0.15 -1.26 -3.43 113.70 114.71 2ckb s SER 170 Ca 0.00 2.25 -0.08 0.00 0.70 0.00 0.00 55.95 58.82 2ckb s SER 170 Cb 0.00 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2ckb s SER 170 CO 0.00 -0.73 0.20 0.61 1.20 0.00 0.00 173.24 174.52 2ckb n GLY 171 N 3.67 -0.21 3.25 9.45 0.00 -1.26 -4.70 105.19 115.39 2ckb n GLY 171 Ca 0.13 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 2ckb n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ckb s VAL 172 N -4.02 1.90 -0.14 1.61 1.01 -1.22 -2.95 120.40 116.58 2ckb s VAL 172 Ca 0.26 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2ckb s VAL 172 Cb -0.15 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.69 2ckb s VAL 172 CO 1.01 0.53 0.32 -0.94 0.00 0.00 0.00 175.10 176.02 2ckb s SER 173 N -0.23 -0.18 -0.00 3.32 1.04 -1.26 -4.98 113.70 111.42 2ckb s SER 173 Ca -0.00 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.19 2ckb s SER 173 Cb -0.12 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ckb s SER 173 CO 0.02 -0.20 -0.17 -0.89 0.98 0.00 0.00 173.24 172.98 2ckb s THR 174 N 1.78 2.81 -0.03 2.02 2.01 -1.26 -1.48 115.64 121.49 2ckb s THR 174 Ca -0.06 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 2ckb s THR 174 Cb -0.10 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2ckb s THR 174 CO -0.10 0.46 1.40 -1.81 -0.69 0.00 0.00 174.62 173.88 2ckb s ASP 175 N -1.08 6.86 0.38 3.53 1.01 -1.14 -4.84 116.67 121.39 2ckb s ASP 175 Ca 0.13 2.05 0.05 0.00 0.71 0.00 0.00 52.55 55.49 2ckb s ASP 175 Cb -0.10 -2.55 0.75 0.00 1.01 0.00 0.00 42.92 42.02 2ckb s ASP 175 CO 0.03 -0.74 2.02 -0.65 0.21 0.00 0.00 175.17 176.04 2ckb h PRO 176 N 8.06 0.70 -5.06 8.23 0.11 -1.98 -3.40 132.00 138.65 2ckb h PRO 176 Ca -0.36 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.06 2ckb h PRO 176 Cb 1.17 -0.16 -0.16 0.00 0.11 0.00 0.00 31.00 31.96 2ckb h PRO 176 CO 0.92 0.46 -0.25 -1.14 -0.21 0.00 0.00 178.00 177.77 2ckb s GLN 177 N -5.62 3.78 0.44 1.05 0.74 -1.26 -5.06 119.66 113.73 2ckb s GLN 177 Ca -0.09 -0.19 -0.25 0.00 0.05 0.00 0.00 55.36 54.88 2ckb s GLN 177 Cb 0.18 -3.73 -0.08 0.00 1.10 0.00 0.00 33.01 30.48 2ckb s GLN 177 CO 0.75 -0.41 1.30 0.00 -0.55 0.00 0.00 175.29 176.38 2ckb s ALA 178 N 2.06 3.14 0.33 1.58 0.00 -1.26 -5.00 121.76 122.62 2ckb s ALA 178 Ca 0.14 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2ckb s ALA 178 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2ckb s ALA 178 CO 0.11 -0.93 0.51 0.71 0.00 0.00 0.00 175.76 176.16 2ckb s TYR 179 N -1.30 3.40 0.00 0.00 1.51 0.45 -4.82 117.35 116.59 2ckb s TYR 179 Ca 0.61 0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 2ckb s TYR 179 Cb -0.38 -1.88 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 2ckb s TYR 179 CO 0.47 0.13 1.83 0.21 -1.11 0.00 0.00 175.55 177.08 2ckb s LYS 180 N -4.24 4.16 0.00 -0.62 2.36 -1.26 -0.39 119.74 119.74 2ckb s LYS 180 Ca 0.40 2.43 0.00 0.00 -2.55 0.00 0.00 55.97 56.25 2ckb s LYS 180 Cb -0.09 -4.08 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 2ckb s LYS 180 CO 0.34 -0.91 0.00 -1.91 1.55 0.00 0.00 175.35 174.42 2ckb n GLU 181 N 7.33 0.00 -1.81 4.03 2.13 0.48 -4.79 120.64 128.01 2ckb n GLU 181 Ca 0.19 0.07 -0.04 0.00 0.66 0.00 0.00 57.16 58.04 2ckb n GLU 181 Cb 0.42 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.68 2ckb n GLU 181 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2ckb n SER 182 N -2.03 1.20 0.00 4.31 3.41 0.59 -4.88 113.62 116.22 2ckb n SER 182 Ca 0.00 -1.27 0.01 0.00 -0.26 0.00 0.00 58.87 57.34 2ckb n SER 182 Cb 0.00 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2ckb n SER 182 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ckb n ASN 186 N -2.03 0.00 0.00 4.04 2.85 -1.26 -3.82 115.26 115.03 2ckb n ASN 186 Ca -0.00 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2ckb n ASN 186 Cb 0.09 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 40.72 2ckb n ASN 186 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckb n TYR 187 N -1.39 0.00 -2.57 1.20 9.36 -1.26 -5.07 117.16 117.43 2ckb n TYR 187 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.80 2ckb n TYR 187 Cb 0.01 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.70 2ckb n TYR 187 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2ckb s SER 189 N -2.10 7.08 0.63 2.98 0.15 -1.25 -4.68 113.70 116.51 2ckb s SER 189 Ca 0.00 1.57 -0.04 0.00 0.70 0.00 0.00 55.95 58.18 2ckb s SER 189 Cb 0.00 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2ckb s SER 189 CO 0.00 -0.64 0.91 -0.31 1.20 0.00 0.00 173.24 174.41 2ckb s TYR 190 N 2.88 2.94 -0.06 3.44 2.02 -1.09 0.18 117.35 127.67 2ckb s TYR 190 Ca 0.50 0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 57.44 2ckb s TYR 190 Cb -0.19 -2.98 0.02 0.00 -0.40 0.00 0.00 41.96 38.41 2ckb s TYR 190 CO 0.13 -1.14 0.20 0.00 -1.57 0.00 0.00 175.55 173.17 2ckb s LEU 192 N -0.15 2.26 0.06 0.00 2.96 -0.46 -0.41 118.68 122.94 2ckb s LEU 192 Ca -0.03 -0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 53.07 2ckb s LEU 192 Cb -0.02 -0.60 0.05 0.00 0.50 0.00 0.00 46.19 46.12 2ckb s LEU 192 CO 0.01 -0.03 0.51 -0.94 -1.32 0.00 0.00 176.35 174.58 2ckb s SER 193 N -1.66 -0.43 0.25 3.68 1.04 -1.25 0.11 113.70 115.44 2ckb s SER 193 Ca 0.00 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.40 2ckb s SER 193 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ckb s SER 193 CO 0.02 -0.75 0.52 -0.55 0.98 0.00 0.00 173.24 173.46 2ckb s SER 194 N -2.11 -0.13 -0.48 7.02 0.15 -0.95 -2.88 113.70 114.32 2ckb s SER 194 Ca -0.04 -0.86 0.06 0.00 0.70 0.00 0.00 55.95 55.81 2ckb s SER 194 Cb -0.00 0.61 0.20 0.00 -1.71 0.00 0.00 66.02 65.12 2ckb s SER 194 CO -0.04 -1.17 0.47 -2.11 1.20 0.00 0.00 173.24 171.60 2ckb n ARG 195 N -0.39 0.93 -1.68 5.44 1.85 -0.55 0.89 116.66 123.14 2ckb n ARG 195 Ca -0.02 -3.61 -0.43 0.00 -1.00 0.00 0.00 57.85 52.79 2ckb n ARG 195 Cb 0.61 -1.71 -0.01 0.00 -1.05 0.00 0.00 32.46 30.30 2ckb n ARG 195 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2ckb n LEU 196 N 2.00 3.31 -3.50 2.89 7.94 -1.23 -4.45 117.00 123.97 2ckb n LEU 196 Ca 0.26 1.20 -0.28 0.00 -1.11 0.00 0.00 56.01 56.08 2ckb n LEU 196 Cb 0.46 -1.46 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 2ckb n LEU 196 CO 0.18 -0.57 -0.31 -0.60 -1.11 0.00 0.00 177.39 174.99 2ckb s ARG 197 N -1.61 0.33 0.39 1.96 3.52 -1.15 0.20 118.95 122.59 2ckb s ARG 197 Ca 0.58 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 2ckb s ARG 197 Cb -0.59 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 2ckb s ARG 197 CO 0.60 -1.09 0.55 0.14 -0.81 0.00 0.00 175.30 174.69 2ckb s VAL 198 N 1.77 3.64 0.80 7.11 -7.23 -0.10 -4.63 120.40 121.76 2ckb s VAL 198 Ca 0.12 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.25 2ckb s VAL 198 Cb -0.18 -3.27 0.21 0.00 0.56 0.00 0.00 36.38 33.70 2ckb s VAL 198 CO -0.23 -0.12 0.47 -1.54 -0.31 0.00 0.00 175.10 173.37 2ckb n SER 199 N -1.82 -3.18 -0.07 4.85 3.41 -1.26 0.36 113.62 115.91 2ckb n SER 199 Ca 0.03 -0.47 -0.07 0.00 -0.26 0.00 0.00 58.87 58.10 2ckb n SER 199 Cb 0.58 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 2ckb n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckb h ALA 200 N -2.89 0.04 -0.77 7.33 0.00 -1.62 -2.12 119.26 119.22 2ckb h ALA 200 Ca -0.21 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 54.40 2ckb h ALA 200 Cb 0.72 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 2ckb h ALA 200 CO 0.13 0.23 -0.44 1.15 0.00 0.00 0.00 179.25 180.32 2ckb h THR 201 N -1.00 0.05 0.89 0.00 2.02 -1.94 1.61 112.91 114.54 2ckb h THR 201 Ca -0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2ckb h THR 201 Cb 0.51 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2ckb h THR 201 CO -0.03 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 175.58 2ckb h PHE 202 N -0.12 -1.11 -0.57 3.16 3.57 -1.95 -3.15 116.94 116.78 2ckb h PHE 202 Ca 0.23 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2ckb h PHE 202 Cb 0.55 0.37 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 2ckb h PHE 202 CO -0.81 -0.69 -0.19 2.35 -2.23 0.00 0.00 178.31 176.74 2ckb h TRP 203 N -1.20 -0.46 0.00 0.41 -0.00 -0.47 -2.20 115.95 112.03 2ckb h TRP 203 Ca -0.12 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 2ckb h TRP 203 Cb 0.92 0.29 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 2ckb h TRP 203 CO -0.01 -0.29 0.00 0.72 -0.00 0.00 0.00 178.44 178.86 2ckb n HIS 204 N -5.42 0.00 -3.70 2.65 8.25 0.54 -2.47 115.22 115.07 2ckb n HIS 204 Ca 0.06 -0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.06 2ckb n HIS 204 Cb 0.32 -0.19 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 2ckb n HIS 204 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ckb s ASN 205 N 1.31 3.90 0.04 0.41 3.84 -0.83 -4.69 114.94 118.92 2ckb s ASN 205 Ca 0.00 -1.71 0.01 0.00 0.21 0.00 0.00 52.86 51.37 2ckb s ASN 205 Cb 0.00 -0.80 0.03 0.00 -0.55 0.00 0.00 41.25 39.93 2ckb s ASN 205 CO 0.00 -0.40 0.64 -2.65 -2.79 0.00 0.00 177.10 171.90 2ckb n PRO 206 N 4.75 0.01 -0.08 0.43 -0.02 -0.67 -0.64 135.00 138.78 2ckb n PRO 206 Ca -0.01 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 2ckb n PRO 206 Cb 0.41 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 2ckb n PRO 206 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2ckb h ARG 207 N 0.00 0.00 -6.28 -0.52 9.65 -1.94 -3.42 114.38 111.86 2ckb h ARG 207 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 2ckb h ARG 207 Cb 0.84 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2ckb h ARG 207 CO 0.00 0.33 1.15 0.54 2.80 0.00 0.00 179.97 184.80 2ckb s ASN 208 N -6.03 6.53 0.67 -3.80 2.20 0.19 -4.89 114.94 109.81 2ckb s ASN 208 Ca -0.16 2.32 -0.11 0.00 -0.94 0.00 0.00 52.86 53.97 2ckb s ASN 208 Cb 0.02 -2.53 -0.01 0.00 -2.00 0.00 0.00 41.25 36.74 2ckb s ASN 208 CO 0.31 -1.03 1.06 -2.28 -2.94 0.00 0.00 177.10 172.22 2ckb s HIS 209 N 4.41 3.37 -0.07 1.54 2.46 -1.26 -2.72 115.29 123.02 2ckb s HIS 209 Ca 0.79 1.24 -0.03 0.00 0.47 0.00 0.00 55.06 57.54 2ckb s HIS 209 Cb -0.36 -2.88 0.04 0.00 -0.13 0.00 0.00 32.58 29.26 2ckb s HIS 209 CO 0.34 -1.03 0.14 -0.06 -2.47 0.00 0.00 174.74 171.66 2ckb s PHE 210 N -3.19 -0.15 0.04 3.88 0.40 -0.64 -2.27 117.98 116.05 2ckb s PHE 210 Ca 0.57 0.52 0.06 0.00 -0.60 0.00 0.00 56.93 57.48 2ckb s PHE 210 Cb -0.12 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2ckb s PHE 210 CO 0.54 -0.22 -0.17 0.50 0.70 0.00 0.00 175.22 176.57 2ckb s ARG 211 N 1.86 1.10 -0.11 0.44 3.00 -0.60 0.29 118.95 124.92 2ckb s ARG 211 Ca -0.01 -0.82 0.00 0.00 -1.00 0.00 0.00 55.73 53.90 2ckb s ARG 211 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 34.95 33.70 2ckb s ARG 211 CO -0.05 0.29 -0.11 0.00 0.00 0.00 0.00 175.30 175.43 2ckb s GLN 213 N 1.39 2.69 -0.62 0.00 0.74 -0.33 -1.10 119.66 122.43 2ckb s GLN 213 Ca 0.00 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.70 2ckb s GLN 213 Cb -0.13 -2.07 0.15 0.00 1.10 0.00 0.00 33.01 32.06 2ckb s GLN 213 CO -0.06 0.13 0.39 0.08 -0.55 0.00 0.00 175.29 175.28 2ckb s VAL 214 N 0.45 2.85 0.05 1.34 1.01 -1.10 -0.21 120.40 124.79 2ckb s VAL 214 Ca -0.17 -3.76 -0.30 0.00 0.00 0.00 0.00 61.98 57.75 2ckb s VAL 214 Cb -0.17 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 2ckb s VAL 214 CO 0.07 -0.91 1.81 -1.58 0.00 0.00 0.00 175.10 174.50 2ckb s GLN 215 N -0.84 4.16 0.23 2.72 0.74 -0.85 -4.07 119.66 121.74 2ckb s GLN 215 Ca 0.21 2.47 0.07 0.00 0.05 0.00 0.00 55.36 58.16 2ckb s GLN 215 Cb -0.16 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.03 2ckb s GLN 215 CO -0.08 -0.86 0.16 0.12 -0.55 0.00 0.00 175.29 174.07 2ckb s PHE 216 N 3.62 3.07 -0.15 1.67 2.19 -0.51 -1.58 117.98 126.30 2ckb s PHE 216 Ca 0.81 -0.10 -0.04 0.00 0.33 0.00 0.00 56.93 57.93 2ckb s PHE 216 Cb -0.41 -1.41 0.05 0.00 -1.31 0.00 0.00 43.02 39.95 2ckb s PHE 216 CO 0.36 0.53 0.08 -1.01 1.83 0.00 0.00 175.22 177.01 2ckb s HIS 217 N -2.05 0.22 0.00 10.12 3.76 0.24 -3.39 115.29 124.19 2ckb s HIS 217 Ca 0.32 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2ckb s HIS 217 Cb -0.08 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.93 2ckb s HIS 217 CO 0.24 -0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.08 2ckb n GLY 218 N 5.27 1.89 3.93 -2.22 0.00 -1.26 -4.40 105.19 108.40 2ckb n GLY 218 Ca -0.06 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 2ckb n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckb s LEU 219 N 0.00 4.27 0.42 0.99 1.43 -1.05 -3.46 118.68 121.28 2ckb s LEU 219 Ca 0.00 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 2ckb s LEU 219 Cb 0.00 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2ckb s LEU 219 CO 0.00 0.00 0.22 -0.94 0.23 0.00 0.00 176.35 175.86 2ckb s SER 220 N -3.12 4.54 0.03 2.29 1.04 -1.26 -2.36 113.70 114.85 2ckb s SER 220 Ca 0.37 -1.04 -0.06 0.00 0.48 0.00 0.00 55.95 55.71 2ckb s SER 220 Cb -0.11 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2ckb s SER 220 CO 0.29 -0.59 0.32 -0.62 0.98 0.00 0.00 173.24 173.62 2ckb n GLU 221 N -1.31 -0.08 -0.14 4.02 1.02 -1.26 -1.14 120.64 121.74 2ckb n GLU 221 Ca -0.01 0.31 0.07 0.00 -0.02 0.00 0.00 57.16 57.52 2ckb n GLU 221 Cb 0.64 -0.46 0.21 0.00 -0.02 0.00 0.00 31.44 31.81 2ckb n GLU 221 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ckb n GLU 222 N -4.05 1.75 -1.26 3.49 1.02 -1.26 -4.97 120.64 115.36 2ckb n GLU 222 Ca 0.00 -1.16 -0.31 0.00 -0.02 0.00 0.00 57.16 55.68 2ckb n GLU 222 Cb 0.05 -1.30 0.09 0.00 -0.02 0.00 0.00 31.44 30.27 2ckb n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ckb s ASP 223 N -1.16 4.49 -0.70 1.62 1.01 -0.30 -4.95 116.67 116.68 2ckb s ASP 223 Ca 0.25 1.84 -0.27 0.00 0.71 0.00 0.00 52.55 55.08 2ckb s ASP 223 Cb 0.13 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.57 2ckb s ASP 223 CO 0.18 -2.05 1.29 -0.75 0.21 0.00 0.00 175.17 174.06 2ckb s LYS 224 N -4.87 3.22 -0.87 8.23 2.47 -1.26 -4.94 119.74 121.73 2ckb s LYS 224 Ca 0.61 -0.10 -0.00 0.00 -1.56 0.00 0.00 55.97 54.92 2ckb s LYS 224 Cb -0.17 -4.16 0.24 0.00 -1.46 0.00 0.00 37.83 32.27 2ckb s LYS 224 CO 0.56 -2.09 0.86 1.87 0.16 0.00 0.00 175.35 176.71 2ckb n TRP 225 N 9.37 3.79 -0.43 4.03 -0.00 -1.26 -4.94 117.44 128.00 2ckb n TRP 225 Ca 0.05 -3.93 -0.04 0.00 -0.00 0.00 0.00 57.50 53.58 2ckb n TRP 225 Cb 0.49 -1.02 -0.05 0.00 -0.00 0.00 0.00 31.31 30.73 2ckb n TRP 225 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2ckb n PRO 226 N 1.86 0.86 -4.11 5.87 -0.04 -1.26 -4.78 135.00 133.40 2ckb n PRO 226 Ca 0.24 -0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2ckb n PRO 226 Cb 0.37 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2ckb n PRO 226 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ckb s GLU 227 N 1.51 0.66 0.00 0.54 2.56 -1.26 -5.02 118.70 117.70 2ckb s GLU 227 Ca 0.22 -1.14 0.19 0.00 0.00 0.00 0.00 54.97 54.24 2ckb s GLU 227 Cb 0.10 -0.06 0.53 0.00 2.00 0.00 0.00 34.13 36.71 2ckb s GLU 227 CO 0.00 -0.04 1.43 0.41 -0.56 0.00 0.00 175.26 176.50 2ckb n GLY 228 N 0.40 1.05 3.94 -1.50 0.00 -1.26 -4.91 105.19 102.91 2ckb n GLY 228 Ca -0.16 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2ckb n GLY 228 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckb s SER 229 N -1.29 6.35 0.01 1.61 1.04 -1.26 -5.03 113.70 115.12 2ckb s SER 229 Ca 0.34 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 2ckb s SER 229 Cb 0.18 -1.92 -0.14 0.00 0.10 0.00 0.00 66.02 64.24 2ckb s SER 229 CO 0.26 0.06 0.72 -2.65 0.98 0.00 0.00 173.24 172.60 2ckb n PRO 230 N -0.44 0.00 -2.18 4.02 -0.01 -1.26 -4.87 135.00 130.26 2ckb n PRO 230 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.00 2ckb n PRO 230 Cb 0.54 -1.02 -0.03 0.00 -0.01 0.00 0.00 33.50 32.98 2ckb n PRO 230 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 2ckb s LYS 231 N -0.06 4.31 -1.20 -0.52 2.20 -1.26 -4.96 119.74 118.25 2ckb s LYS 231 Ca 0.62 2.05 -0.08 0.00 -0.36 0.00 0.00 55.97 58.20 2ckb s LYS 231 Cb -0.87 -3.34 0.22 0.00 -1.51 0.00 0.00 37.83 32.33 2ckb s LYS 231 CO 0.40 -0.48 1.70 -0.35 -0.36 0.00 0.00 175.35 176.26 2ckb n PRO 232 N 4.36 3.92 -3.21 4.03 -0.05 -1.26 -5.00 135.00 137.78 2ckb n PRO 232 Ca 0.12 -3.93 -0.21 0.00 -0.05 0.00 0.00 63.50 59.44 2ckb n PRO 232 Cb 0.43 -2.77 0.04 0.00 -0.05 0.00 0.00 33.50 31.14 2ckb n PRO 232 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2ckb s VAL 233 N -0.74 2.17 -0.35 0.52 -7.23 -1.26 -2.54 120.40 110.97 2ckb s VAL 233 Ca 0.36 -1.10 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 2ckb s VAL 233 Cb 0.07 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 2ckb s VAL 233 CO 0.04 0.00 2.32 0.41 -0.31 0.00 0.00 175.10 177.55 2ckb n THR 234 N -2.08 0.15 -4.18 5.32 -1.04 -1.00 -4.51 114.28 106.94 2ckb n THR 234 Ca 0.11 -0.59 -0.08 0.00 -2.04 0.00 0.00 64.05 61.45 2ckb n THR 234 Cb 0.62 -2.59 -0.02 0.00 -1.82 0.00 0.00 70.33 66.52 2ckb n THR 234 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ckb n GLN 235 N 8.84 1.20 -3.05 -2.82 10.64 -1.22 -4.97 117.38 126.00 2ckb n GLN 235 Ca 0.34 -1.03 -0.18 0.00 -1.83 0.00 0.00 57.00 54.29 2ckb n GLN 235 Cb 0.47 0.43 -0.03 0.00 -0.86 0.00 0.00 30.24 30.25 2ckb n GLN 235 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2ckb n ASN 236 N -1.53 -0.99 -4.77 2.61 2.85 -1.26 -1.42 115.26 110.75 2ckb n ASN 236 Ca -0.04 -2.87 -0.40 0.00 -0.11 0.00 0.00 54.58 51.17 2ckb n ASN 236 Cb 0.18 0.23 -0.03 0.00 1.24 0.00 0.00 39.78 41.41 2ckb n ASN 236 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2ckb s ILE 237 N -0.42 3.06 0.20 -1.44 1.01 -1.26 -4.81 121.20 117.55 2ckb s ILE 237 Ca 0.34 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.87 2ckb s ILE 237 Cb 0.17 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 39.02 2ckb s ILE 237 CO -0.16 0.21 0.45 -0.44 0.00 0.00 0.00 174.94 175.00 2ckb s SER 238 N -0.76 -0.14 0.34 3.58 0.01 -1.26 -2.69 113.70 112.78 2ckb s SER 238 Ca 0.49 -0.69 0.09 0.00 1.31 0.00 0.00 55.95 57.16 2ckb s SER 238 Cb -0.35 0.54 -0.06 0.00 0.21 0.00 0.00 66.02 66.36 2ckb s SER 238 CO 0.46 -1.03 -0.03 0.00 0.41 0.00 0.00 173.24 173.04 2ckb s ALA 239 N -3.93 3.10 0.01 1.44 0.00 -0.26 -4.98 121.76 117.15 2ckb s ALA 239 Ca 0.14 -2.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.01 2ckb s ALA 239 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2ckb s ALA 239 CO 0.01 0.07 0.13 -2.00 0.00 0.00 0.00 175.76 173.97 2ckb s GLU 240 N -3.67 0.49 0.29 0.00 2.12 -1.26 -0.48 118.70 116.19 2ckb s GLU 240 Ca 0.34 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2ckb s GLU 240 Cb 0.01 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2ckb s GLU 240 CO 0.18 -0.12 0.27 0.00 -0.54 0.00 0.00 175.26 175.06 2ckb s ALA 241 N -1.49 1.34 0.10 6.30 0.00 0.15 -4.90 121.76 123.26 2ckb s ALA 241 Ca -0.14 -1.80 -0.09 0.00 0.00 0.00 0.00 51.96 49.93 2ckb s ALA 241 Cb -0.07 1.38 -0.00 0.00 0.00 0.00 0.00 23.12 24.42 2ckb s ALA 241 CO 0.01 -0.67 0.20 -0.46 0.00 0.00 0.00 175.76 174.84 2ckb s TRP 242 N -3.64 0.17 -0.10 0.00 -0.11 -1.26 -1.62 118.94 112.38 2ckb s TRP 242 Ca 0.38 -0.59 -0.29 0.00 1.22 0.00 0.00 56.10 56.81 2ckb s TRP 242 Cb 0.03 -0.05 -0.05 0.00 -1.50 0.00 0.00 33.47 31.90 2ckb s TRP 242 CO 0.20 -0.56 1.69 0.20 -4.62 0.00 0.00 176.95 173.86 2ckb s GLY 243 N -2.87 1.41 0.27 5.86 0.00 -1.10 -4.96 107.32 105.92 2ckb s GLY 243 Ca 0.06 0.83 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 2ckb s GLY 243 CO -0.10 3.09 0.58 0.50 0.00 0.00 0.00 173.10 177.16 2ckb s ARG 244 N 4.32 3.76 1.34 2.90 0.52 -1.03 -1.67 118.95 129.09 2ckb s ARG 244 Ca 0.75 0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 55.96 2ckb s ARG 244 Cb -0.32 -2.61 0.35 0.00 0.52 0.00 0.00 34.95 32.89 2ckb s ARG 244 CO 0.30 0.25 0.85 0.00 0.02 0.00 0.00 175.30 176.72 2ckb n ALA 245 N -0.49 -4.63 -3.69 2.13 0.00 -1.26 -3.74 120.51 108.83 2ckb n ALA 245 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 53.44 51.71 2ckb n ALA 245 Cb 0.53 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 2ckb n ALA 245 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ckb s ASP 246 N -3.26 3.40 0.00 0.00 2.15 -1.26 -4.87 116.67 112.83 2ckb s ASP 246 Ca 0.64 -3.48 0.00 0.00 0.43 0.00 0.00 52.55 50.14 2ckb s ASP 246 Cb -0.10 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 2ckb s ASP 246 CO 0.52 -0.13 0.00 0.00 -0.17 0.00 0.00 175.17 175.40