#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2k s HIS 5 N 0.00 0.72 0.18 4.31 -3.43 -1.26 -2.02 115.29 113.78 2b2k s HIS 5 Ca 0.00 -1.02 0.09 0.00 -0.80 0.00 0.00 55.06 53.33 2b2k s HIS 5 Cb 0.00 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.95 2b2k s HIS 5 CO 0.00 -0.82 -0.11 0.14 -2.00 0.00 0.00 174.74 171.95 2b2k s VAL 6 N -4.08 3.13 -0.36 -5.38 -7.23 0.14 -4.66 120.40 101.96 2b2k s VAL 6 Ca 0.29 -1.66 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 2b2k s VAL 6 Cb 0.03 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2b2k s VAL 6 CO 0.10 -0.09 0.26 -0.63 -0.31 0.00 0.00 175.10 174.42 2b2k s ILE 7 N -1.66 5.24 0.21 -0.62 1.01 -1.26 -1.43 121.20 122.68 2b2k s ILE 7 Ca 0.24 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2b2k s ILE 7 Cb -0.09 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 2b2k s ILE 7 CO 0.15 -0.11 1.24 -0.76 0.00 0.00 0.00 174.94 175.46 2b2k s LEU 8 N 1.70 4.44 -0.00 2.97 1.43 -0.30 -0.61 118.68 128.32 2b2k s LEU 8 Ca 0.06 2.33 0.04 0.00 -1.03 0.00 0.00 54.13 55.53 2b2k s LEU 8 Cb -0.18 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2b2k s LEU 8 CO 0.10 -0.42 -0.12 -0.76 0.23 0.00 0.00 176.35 175.38 2b2k s LEU 9 N -0.39 2.89 0.00 1.79 1.43 0.05 -0.71 118.68 123.74 2b2k s LEU 9 Ca 0.53 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2b2k s LEU 9 Cb -0.34 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.35 2b2k s LEU 9 CO 0.39 0.29 0.49 -0.46 0.23 0.00 0.00 176.35 177.29 2b2k n ASN 10 N 1.77 -1.39 0.00 2.29 2.04 0.39 -4.45 115.26 115.89 2b2k n ASN 10 Ca -0.16 -0.82 0.02 0.00 -0.44 0.00 0.00 54.58 53.19 2b2k n ASN 10 Cb 0.52 -0.44 0.15 0.00 -2.53 0.00 0.00 39.78 37.48 2b2k n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2b2k n ALA 11 N -3.79 1.93 -2.57 -2.53 0.00 -1.26 -4.32 120.51 107.96 2b2k n ALA 11 Ca -0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 2b2k n ALA 11 Cb 0.26 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 2b2k n ALA 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2b2k s GLN 12 N -2.00 2.08 0.00 0.00 -0.44 -1.26 -5.04 119.66 113.00 2b2k s GLN 12 Ca 0.07 -2.06 0.00 0.00 -2.50 0.00 0.00 55.36 50.88 2b2k s GLN 12 Cb 0.03 -1.75 0.00 0.00 -1.64 0.00 0.00 33.01 29.66 2b2k s GLN 12 CO 0.06 -0.12 1.27 0.41 0.50 0.00 0.00 175.29 177.40 2b2k n GLY 13 N -1.11 1.95 3.66 2.59 0.00 -1.26 -4.84 105.19 106.18 2b2k n GLY 13 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2b2k n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2k s VAL 14 N 0.22 4.98 0.38 1.61 1.01 -1.26 -4.90 120.40 122.44 2b2k s VAL 14 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 2b2k s VAL 14 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 2b2k s VAL 14 CO 0.00 0.46 1.26 -2.84 0.00 0.00 0.00 175.10 173.98 2b2k s PRO 15 N 0.36 4.12 0.00 2.72 0.02 -1.26 -0.47 135.00 140.49 2b2k s PRO 15 Ca 0.05 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2b2k s PRO 15 Cb -0.12 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.56 2b2k s PRO 15 CO -0.01 -0.34 0.30 0.25 -0.33 0.00 0.00 177.00 176.87 2b2k n THR 16 N 0.34 0.09 -1.40 0.99 -2.24 0.11 -4.85 114.28 107.32 2b2k n THR 16 Ca 0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2b2k n THR 16 Cb 0.44 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 2b2k n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b2k n GLY 17 N -0.04 0.25 3.23 3.38 0.00 -1.25 -4.98 105.19 105.77 2b2k n GLY 17 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2b2k n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b2k s THR 18 N -2.54 0.34 -0.25 2.61 -4.23 -1.26 -1.14 115.64 109.17 2b2k s THR 18 Ca 0.00 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 2b2k s THR 18 Cb 0.00 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.59 2b2k s THR 18 CO 0.00 -0.24 0.63 -0.22 -0.54 0.00 0.00 174.62 174.24 2b2k s LEU 19 N -3.17 -0.64 0.07 4.79 0.20 -0.51 -4.88 118.68 114.53 2b2k s LEU 19 Ca 0.31 1.34 -0.37 0.00 0.69 0.00 0.00 54.13 56.10 2b2k s LEU 19 Cb 0.07 2.15 -0.18 0.00 -0.43 0.00 0.00 46.19 47.80 2b2k s LEU 19 CO 0.08 -0.23 1.09 1.21 -0.29 0.00 0.00 176.35 178.21 2b2k n GLU 20 N 3.81 0.48 0.11 1.98 0.00 -1.26 0.24 120.64 125.99 2b2k n GLU 20 Ca -0.19 0.17 -0.07 0.00 0.00 0.00 0.00 57.16 57.07 2b2k n GLU 20 Cb 0.57 -1.65 -0.04 0.00 0.00 0.00 0.00 31.44 30.32 2b2k n GLU 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2b2k h LYS 21 N 3.21 -0.37 -0.14 5.31 3.64 -1.68 0.65 116.57 127.20 2b2k h LYS 21 Ca -0.46 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2b2k h LYS 21 Cb 1.39 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.24 2b2k h LYS 21 CO 0.68 -0.25 -0.27 -0.92 -2.27 0.00 0.00 179.45 176.42 2b2k h TYR 22 N -0.39 -0.72 -0.03 1.91 3.20 -1.91 -0.36 116.97 118.67 2b2k h TYR 22 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2b2k h TYR 22 Cb 0.34 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2b2k h TYR 22 CO -0.15 -0.35 0.08 0.00 -1.64 0.00 0.00 178.16 176.10 2b2k h ALA 23 N 0.59 1.34 0.01 1.82 0.00 -1.93 -2.78 119.26 118.31 2b2k h ALA 23 Ca 0.10 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2b2k h ALA 23 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2b2k h ALA 23 CO -0.33 -0.09 -0.95 0.00 0.00 0.00 0.00 179.25 177.88 2b2k h ALA 24 N 1.88 0.44 -2.09 0.00 0.00 0.94 -3.42 119.26 117.00 2b2k h ALA 24 Ca 0.02 -0.85 -0.74 0.00 0.00 0.00 0.00 54.91 53.34 2b2k h ALA 24 Cb 0.17 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 17.60 2b2k h ALA 24 CO -0.00 1.14 -0.01 -1.01 0.00 0.00 0.00 179.25 179.38 2b2k s HIS 25 N -2.87 3.20 0.00 0.00 4.02 -1.05 -4.26 115.29 114.33 2b2k s HIS 25 Ca 0.00 -1.25 0.00 0.00 1.02 0.00 0.00 55.06 54.84 2b2k s HIS 25 Cb 0.10 -3.91 0.00 0.00 -1.02 0.00 0.00 32.58 27.75 2b2k s HIS 25 CO 0.82 -1.15 0.00 0.25 1.02 0.00 0.00 174.74 175.68 2b2k n THR 26 N 5.23 0.00 1.66 1.30 -2.24 -1.26 -4.85 114.28 114.12 2b2k n THR 26 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 2b2k n THR 26 Cb 0.42 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.35 2b2k n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b2k n ALA 27 N -3.00 2.67 -2.73 6.98 0.00 -1.26 0.11 120.51 123.28 2b2k n ALA 27 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 2b2k n ALA 27 Cb 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.16 2b2k n ALA 27 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b2k n ASP 28 N -0.52 1.29 -4.63 0.00 5.75 -1.26 -4.77 116.55 112.41 2b2k n ASP 28 Ca 0.20 -2.41 -0.48 0.00 -0.01 0.00 0.00 54.79 52.09 2b2k n ASP 28 Cb 0.25 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.88 2b2k n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2b2k n THR 29 N -0.34 0.47 -3.49 2.12 -1.04 -1.26 -4.97 114.28 105.78 2b2k n THR 29 Ca 0.07 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 2b2k n THR 29 Cb 0.81 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 68.09 2b2k n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2b2k s ARG 30 N 0.14 3.68 0.09 -2.82 0.52 -1.26 -4.75 118.95 114.55 2b2k s ARG 30 Ca 0.76 0.04 -0.36 0.00 -0.52 0.00 0.00 55.73 55.65 2b2k s ARG 30 Cb -0.77 -2.72 -0.17 0.00 0.52 0.00 0.00 34.95 31.81 2b2k s ARG 30 CO 0.46 0.34 1.31 -0.11 0.02 0.00 0.00 175.30 177.32 2b2k n LEU 31 N -0.33 1.56 -4.02 2.53 7.94 -1.26 -4.77 117.00 118.64 2b2k n LEU 31 Ca -0.01 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 55.91 2b2k n LEU 31 Cb 0.53 -1.18 -0.06 0.00 0.53 0.00 0.00 43.42 43.23 2b2k n LEU 31 CO 0.47 -1.12 0.09 -1.38 -1.11 0.00 0.00 177.39 174.35 2b2k s HIS 32 N 0.38 0.47 0.14 1.96 -3.43 -1.01 -0.77 115.29 113.04 2b2k s HIS 32 Ca 0.83 -0.81 -0.19 0.00 -0.80 0.00 0.00 55.06 54.09 2b2k s HIS 32 Cb -0.96 0.05 -0.07 0.00 -1.43 0.00 0.00 32.58 30.17 2b2k s HIS 32 CO 0.48 -0.90 0.63 -1.17 -2.00 0.00 0.00 174.74 171.77 2b2k s LEU 33 N -3.03 4.45 0.31 5.38 2.96 0.22 -1.46 118.68 127.52 2b2k s LEU 33 Ca 0.24 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 55.32 2b2k s LEU 33 Cb 0.01 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.53 2b2k s LEU 33 CO 0.08 0.17 0.61 0.00 -1.32 0.00 0.00 176.35 175.90 2b2k s ALA 34 N -1.29 -0.40 0.18 5.97 0.00 0.64 -4.34 121.76 122.52 2b2k s ALA 34 Ca 0.35 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2b2k s ALA 34 Cb -0.18 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2b2k s ALA 34 CO 0.20 -0.92 0.04 -0.59 0.00 0.00 0.00 175.76 174.50 2b2k s PHE 35 N -3.35 1.19 -0.00 0.00 -0.12 0.20 -3.35 117.98 112.55 2b2k s PHE 35 Ca 0.20 -1.12 0.00 0.00 -0.05 0.00 0.00 56.93 55.96 2b2k s PHE 35 Cb -0.03 -0.68 0.00 0.00 -0.63 0.00 0.00 43.02 41.69 2b2k s PHE 35 CO 0.11 -0.33 -0.01 0.45 -0.05 0.00 0.00 175.22 175.39 2b2k s SER 36 N -3.17 0.15 0.03 1.98 0.15 -0.91 -1.82 113.70 110.11 2b2k s SER 36 Ca 0.28 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.94 2b2k s SER 36 Cb 0.07 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2b2k s SER 36 CO 0.06 -0.00 -0.09 -0.55 1.20 0.00 0.00 173.24 173.86 2b2k s SER 37 N 0.10 0.97 -0.24 5.45 0.15 0.38 -1.09 113.70 119.42 2b2k s SER 37 Ca -0.01 -0.45 -0.00 0.00 0.70 0.00 0.00 55.95 56.19 2b2k s SER 37 Cb -0.02 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2b2k s SER 37 CO -0.00 -0.11 -0.09 0.26 1.20 0.00 0.00 173.24 174.49 2b2k s TRP 38 N -1.04 3.07 -0.12 3.44 0.52 -0.60 -2.06 118.94 122.14 2b2k s TRP 38 Ca -0.05 -1.75 -0.04 0.00 0.02 0.00 0.00 56.10 54.28 2b2k s TRP 38 Cb -0.08 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 2b2k s TRP 38 CO 0.01 -0.78 0.01 -0.51 0.02 0.00 0.00 176.95 175.69 2b2k s LEU 39 N 1.27 3.57 -0.03 2.99 1.43 -1.26 -1.78 118.68 124.87 2b2k s LEU 39 Ca -0.01 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2b2k s LEU 39 Cb -0.17 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2b2k s LEU 39 CO -0.06 0.29 -0.20 -0.36 0.23 0.00 0.00 176.35 176.25 2b2k s PHE 40 N -0.33 1.84 0.89 0.29 0.40 -0.66 -0.54 117.98 119.88 2b2k s PHE 40 Ca 0.07 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.84 2b2k s PHE 40 Cb -0.12 -1.20 0.20 0.00 0.51 0.00 0.00 43.02 42.41 2b2k s PHE 40 CO 0.02 -0.09 1.21 0.27 0.70 0.00 0.00 175.22 177.34 2b2k n ASN 41 N 2.77 0.22 0.01 1.36 0.23 0.21 -1.51 115.26 118.55 2b2k n ASN 41 Ca -0.16 -1.51 0.08 0.00 -0.53 0.00 0.00 54.58 52.46 2b2k n ASN 41 Cb 0.53 -0.92 0.50 0.00 -2.08 0.00 0.00 39.78 37.81 2b2k n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2b2k h ALA 42 N -1.68 1.91 0.00 -2.53 0.00 -1.82 0.10 119.26 115.23 2b2k h ALA 42 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2b2k h ALA 42 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2b2k h ALA 42 CO 0.29 0.03 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2b2k n LYS 43 N -4.48 0.18 -0.45 0.00 4.01 -1.26 -0.20 118.16 115.96 2b2k n LYS 43 Ca 0.05 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 2b2k n LYS 43 Cb 0.21 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 2b2k n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2b2k n GLY 44 N 0.70 0.76 3.80 0.72 0.00 0.36 -4.22 105.19 107.31 2b2k n GLY 44 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2b2k n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b2k s GLN 45 N -0.55 4.15 0.00 1.61 -0.21 -1.26 -4.26 119.66 119.14 2b2k s GLN 45 Ca 0.00 1.28 -0.20 0.00 0.02 0.00 0.00 55.36 56.46 2b2k s GLN 45 Cb 0.00 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.65 2b2k s GLN 45 CO 0.00 -0.12 0.58 -1.17 -2.12 0.00 0.00 175.29 172.46 2b2k s LEU 46 N -3.02 4.43 -0.34 2.90 2.96 0.27 -0.62 118.68 125.28 2b2k s LEU 46 Ca 0.61 1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 55.46 2b2k s LEU 46 Cb -0.14 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.65 2b2k s LEU 46 CO 0.19 0.14 0.70 -0.22 -1.32 0.00 0.00 176.35 175.83 2b2k s LEU 47 N -0.35 4.16 -0.12 -0.68 2.96 0.29 -0.05 118.68 124.90 2b2k s LEU 47 Ca 0.30 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2b2k s LEU 47 Cb -0.18 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 2b2k s LEU 47 CO 0.17 -0.60 0.10 -0.69 -1.32 0.00 0.00 176.35 174.01 2b2k s VAL 48 N 2.83 5.20 0.18 1.68 1.01 0.88 -3.28 120.40 128.89 2b2k s VAL 48 Ca 0.28 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2b2k s VAL 48 Cb -0.14 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2b2k s VAL 48 CO 0.14 0.61 -0.10 0.42 0.00 0.00 0.00 175.10 176.17 2b2k s THR 49 N -0.92 1.36 -0.17 3.92 -4.23 -1.02 -0.53 115.64 114.04 2b2k s THR 49 Ca 0.14 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2b2k s THR 49 Cb -0.12 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.74 2b2k s THR 49 CO 0.03 -0.63 -0.18 -0.60 -0.54 0.00 0.00 174.62 172.70 2b2k s ARG 50 N -3.73 3.09 0.49 3.99 3.52 0.02 -1.00 118.95 125.33 2b2k s ARG 50 Ca 0.20 -0.80 -0.23 0.00 -0.13 0.00 0.00 55.73 54.77 2b2k s ARG 50 Cb 0.02 -2.60 -0.07 0.00 -1.56 0.00 0.00 34.95 30.74 2b2k s ARG 50 CO 0.04 -0.11 1.35 1.03 -0.81 0.00 0.00 175.30 176.79 2b2k s ARG 51 N 1.10 3.47 0.71 5.12 0.52 0.17 -1.23 118.95 128.80 2b2k s ARG 51 Ca 0.00 2.22 -0.15 0.00 -0.52 0.00 0.00 55.73 57.28 2b2k s ARG 51 Cb -0.14 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 32.90 2b2k s ARG 51 CO -0.06 -0.92 1.15 0.00 0.02 0.00 0.00 175.30 175.49 2b2k s ALA 52 N -1.30 2.26 -1.04 2.13 0.00 -0.55 -1.49 121.76 121.78 2b2k s ALA 52 Ca 0.66 0.68 0.12 0.00 0.00 0.00 0.00 51.96 53.42 2b2k s ALA 52 Cb -0.40 -3.39 0.54 0.00 0.00 0.00 0.00 23.12 19.88 2b2k s ALA 52 CO 0.49 -1.62 1.39 1.28 0.00 0.00 0.00 175.76 177.30 2b2k n LEU 53 N -2.67 0.00 -0.80 0.00 4.77 -1.26 -2.18 117.00 114.85 2b2k n LEU 53 Ca 0.12 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 2b2k n LEU 53 Cb 0.51 -0.48 0.29 0.00 -2.33 0.00 0.00 43.42 41.41 2b2k n LEU 53 CO 0.48 -0.28 0.74 -1.54 -1.33 0.00 0.00 177.39 175.46 2b2k n SER 54 N -1.48 2.46 -4.74 -1.43 3.41 -1.26 -4.79 113.62 105.78 2b2k n SER 54 Ca 0.03 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.42 2b2k n SER 54 Cb 0.14 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2b2k n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2b2k s LYS 55 N -1.84 4.36 0.29 4.33 -0.14 -0.93 -4.88 119.74 120.93 2b2k s LYS 55 Ca 0.34 2.13 -0.01 0.00 -1.36 0.00 0.00 55.97 57.07 2b2k s LYS 55 Cb 0.20 -3.16 0.43 0.00 -1.68 0.00 0.00 37.83 33.62 2b2k s LYS 55 CO 0.30 -0.27 1.88 -0.22 -0.76 0.00 0.00 175.35 176.28 2b2k h LYS 56 N 5.00 0.90 -6.59 1.68 3.64 -1.91 -3.34 116.57 115.95 2b2k h LYS 56 Ca -0.46 -0.13 -0.69 0.00 -1.27 0.00 0.00 60.65 58.10 2b2k h LYS 56 Cb 1.22 -0.16 -0.26 0.00 -0.41 0.00 0.00 32.23 32.61 2b2k h LYS 56 CO 0.76 0.73 -0.85 0.00 -2.27 0.00 0.00 179.45 177.81 2b2k s ALA 57 N -5.45 2.37 -1.21 5.00 0.00 -1.26 -4.66 121.76 116.56 2b2k s ALA 57 Ca -0.10 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 2b2k s ALA 57 Cb 0.16 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2b2k s ALA 57 CO 0.80 0.55 0.43 0.91 0.00 0.00 0.00 175.76 178.44 2b2k n TRP 58 N 2.03 -1.21 -2.08 0.00 8.01 -1.26 -4.93 117.44 117.99 2b2k n TRP 58 Ca -0.16 0.20 -0.36 0.00 -1.31 0.00 0.00 57.50 55.86 2b2k n TRP 58 Cb 0.52 -2.52 0.02 0.00 -2.01 0.00 0.00 31.31 27.32 2b2k n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2b2k s PRO 59 N -7.21 3.23 -0.79 -0.99 0.04 -1.25 -3.13 135.00 124.90 2b2k s PRO 59 Ca 0.31 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2b2k s PRO 59 Cb -0.18 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2b2k s PRO 59 CO 0.90 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2b2k n GLY 60 N 0.46 0.87 3.84 0.56 0.00 -0.55 -4.93 105.19 105.45 2b2k n GLY 60 Ca 0.12 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2b2k n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2k s VAL 61 N -2.01 5.22 0.15 1.61 1.01 -1.18 -4.76 120.40 120.44 2b2k s VAL 61 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 2b2k s VAL 61 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2b2k s VAL 61 CO 0.00 0.52 0.88 0.26 0.00 0.00 0.00 175.10 176.77 2b2k s TRP 62 N -1.09 3.88 0.32 5.22 0.52 -1.26 -0.65 118.94 125.87 2b2k s TRP 62 Ca 0.18 1.75 -0.08 0.00 0.02 0.00 0.00 56.10 57.97 2b2k s TRP 62 Cb -0.12 -2.93 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 2b2k s TRP 62 CO 0.08 0.36 0.57 -2.37 0.02 0.00 0.00 176.95 175.61 2b2k n THR 63 N 2.13 0.00 -1.31 2.01 5.66 -0.17 -0.78 114.28 121.83 2b2k n THR 63 Ca -0.01 -1.07 -0.10 0.00 -3.05 0.00 0.00 64.05 59.81 2b2k n THR 63 Cb 0.49 0.86 0.07 0.00 -1.55 0.00 0.00 70.33 70.20 2b2k n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2b2k n ASN 64 N -1.53 0.00 0.08 1.09 0.23 -1.26 -2.44 115.26 111.43 2b2k n ASN 64 Ca -0.05 -1.16 -0.12 0.00 -0.53 0.00 0.00 54.58 52.73 2b2k n ASN 64 Cb 0.49 -0.35 -0.05 0.00 -2.08 0.00 0.00 39.78 37.79 2b2k n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2b2k h SER 65 N -0.63 -0.65 -3.25 0.53 0.02 -1.52 -3.37 113.55 104.68 2b2k h SER 65 Ca -0.15 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2b2k h SER 65 Cb 0.41 0.26 -0.23 0.00 0.14 0.00 0.00 62.40 62.98 2b2k h SER 65 CO 0.11 -0.30 0.18 0.54 -1.14 0.00 0.00 176.83 176.21 2b2k s VAL 66 N -6.08 0.00 0.07 2.27 0.11 -0.88 -4.73 120.40 111.16 2b2k s VAL 66 Ca -0.15 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2b2k s VAL 66 Cb 0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2b2k s VAL 66 CO 0.66 0.00 -0.15 0.00 -3.33 0.00 0.00 175.10 172.28 2b2k n GLY 68 N 1.35 2.03 2.90 0.00 0.00 -0.76 -4.99 105.19 105.73 2b2k n GLY 68 Ca -0.21 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2b2k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b2k s HIS 69 N -4.21 2.09 0.58 1.61 3.76 -1.26 -0.63 115.29 117.23 2b2k s HIS 69 Ca 0.00 -1.54 -0.20 0.00 -0.15 0.00 0.00 55.06 53.16 2b2k s HIS 69 Cb 0.00 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2b2k s HIS 69 CO 0.00 -0.73 1.25 -2.30 -0.85 0.00 0.00 174.74 172.10 2b2k n PRO 70 N 4.76 1.36 -3.13 8.40 -0.02 -1.26 -4.98 135.00 140.14 2b2k n PRO 70 Ca -0.11 0.51 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 2b2k n PRO 70 Cb 0.45 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.49 2b2k n PRO 70 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2b2k s GLN 71 N -2.94 2.64 0.09 -0.52 -1.52 -1.26 -4.45 119.66 111.69 2b2k s GLN 71 Ca 0.75 -1.41 -0.33 0.00 -1.95 0.00 0.00 55.36 52.43 2b2k s GLN 71 Cb -0.41 -2.65 -0.12 0.00 -0.22 0.00 0.00 33.01 29.60 2b2k s GLN 71 CO 0.47 -0.41 1.76 -0.11 -0.25 0.00 0.00 175.29 176.75 2b2k n LEU 72 N -1.90 3.58 0.00 2.90 7.94 -1.26 -1.13 117.00 127.14 2b2k n LEU 72 Ca 0.09 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2b2k n LEU 72 Cb 0.60 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2b2k n LEU 72 CO 0.40 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 2b2k n GLY 73 N 3.99 0.55 3.54 -3.96 0.00 -1.26 -5.04 105.19 103.01 2b2k n GLY 73 Ca 0.19 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2b2k n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b2k s GLU 74 N -0.49 3.61 0.62 1.61 2.12 -0.28 -5.10 118.70 120.79 2b2k s GLU 74 Ca 0.00 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 54.68 2b2k s GLU 74 Cb 0.00 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 2b2k s GLU 74 CO 0.00 0.31 1.10 -1.54 -0.54 0.00 0.00 175.26 174.59 2b2k s SER 75 N 0.19 5.38 0.44 -1.70 1.04 -1.26 -4.70 113.70 113.09 2b2k s SER 75 Ca -0.01 1.99 0.10 0.00 0.48 0.00 0.00 55.95 58.52 2b2k s SER 75 Cb -0.14 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.43 2b2k s SER 75 CO 0.02 -1.45 2.07 0.78 0.98 0.00 0.00 173.24 175.65 2b2k h ASN 76 N 0.35 0.33 -0.16 7.02 -0.26 -1.99 -1.43 115.58 119.44 2b2k h ASN 76 Ca -0.47 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.09 2b2k h ASN 76 Cb 1.24 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.42 2b2k h ASN 76 CO 0.55 0.23 -0.50 -0.33 -1.06 0.00 0.00 177.43 176.32 2b2k h GLU 77 N 0.39 0.74 -0.56 0.81 3.07 -1.98 -1.41 114.58 115.63 2b2k h GLU 77 Ca 0.13 -0.44 -0.07 0.00 -0.50 0.00 0.00 59.36 58.48 2b2k h GLU 77 Cb 0.05 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2b2k h GLU 77 CO -0.03 1.06 0.07 -0.44 -1.40 0.00 0.00 179.01 178.27 2b2k h ASP 78 N 0.58 0.87 -0.53 1.42 3.32 -1.76 -1.12 116.42 119.20 2b2k h ASP 78 Ca 0.02 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 2b2k h ASP 78 Cb 1.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2b2k h ASP 78 CO 0.11 0.89 0.19 0.00 -1.72 0.00 0.00 179.24 178.71 2b2k h ALA 79 N 1.21 0.69 -0.17 3.45 0.00 -1.05 0.16 119.26 123.55 2b2k h ALA 79 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b2k h ALA 79 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b2k h ALA 79 CO 0.01 0.32 0.10 0.28 0.00 0.00 0.00 179.25 179.97 2b2k h VAL 80 N 0.72 1.07 -0.25 0.00 2.07 -0.87 -0.21 116.25 118.77 2b2k h VAL 80 Ca 0.17 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2b2k h VAL 80 Cb 0.23 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2b2k h VAL 80 CO -0.01 0.07 0.08 0.40 0.02 0.00 0.00 177.57 178.13 2b2k h ILE 81 N 0.20 0.93 0.04 4.57 2.04 -0.94 -1.70 117.51 122.66 2b2k h ILE 81 Ca 0.06 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2b2k h ILE 81 Cb 0.02 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2b2k h ILE 81 CO -0.01 0.04 -0.10 -0.09 0.00 0.00 0.00 178.15 177.98 2b2k h ARG 82 N 0.20 -0.19 0.00 2.37 2.43 -0.43 -2.51 114.38 116.25 2b2k h ARG 82 Ca 0.11 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2b2k h ARG 82 Cb 0.08 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2b2k h ARG 82 CO -0.12 -0.13 -0.39 0.00 -1.51 0.00 0.00 179.97 177.83 2b2k h ARG 83 N -0.20 0.00 -0.63 0.20 2.47 -0.95 -0.24 114.38 115.03 2b2k h ARG 83 Ca 0.02 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2b2k h ARG 83 Cb 0.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 2b2k h ARG 83 CO -0.07 0.39 0.25 0.00 0.56 0.00 0.00 179.97 181.10 2b2k h ARG 85 N 0.90 0.85 0.14 0.00 3.08 -0.90 -0.96 114.38 117.50 2b2k h ARG 85 Ca 0.21 -0.44 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 2b2k h ARG 85 Cb 0.17 0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.26 2b2k h ARG 85 CO -0.02 1.08 -1.28 -0.92 -1.07 0.00 0.00 179.97 177.76 2b2k h TYR 86 N 0.64 0.92 0.08 3.04 3.20 -0.69 -1.07 116.97 123.10 2b2k h TYR 86 Ca 0.06 -0.60 -0.33 0.00 3.14 0.00 0.00 58.73 61.00 2b2k h TYR 86 Cb 0.92 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 2b2k h TYR 86 CO 0.07 1.45 -1.80 0.93 -1.64 0.00 0.00 178.16 177.16 2b2k h GLU 87 N 0.22 0.18 0.00 1.82 5.08 -0.51 -3.41 114.58 117.96 2b2k h GLU 87 Ca -0.19 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2b2k h GLU 87 Cb 1.96 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2b2k h GLU 87 CO 0.24 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.49 2b2k n LEU 88 N -3.34 0.84 -1.03 1.33 4.77 -0.47 -0.99 117.00 118.11 2b2k n LEU 88 Ca -0.24 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 54.78 2b2k n LEU 88 Cb 1.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 2b2k n LEU 88 CO 0.45 0.21 -0.12 0.61 -1.33 0.00 0.00 177.39 177.21 2b2k n GLY 89 N -0.09 1.20 3.73 -0.72 0.00 -0.40 -0.70 105.19 108.20 2b2k n GLY 89 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2b2k n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b2k s VAL 90 N -2.03 4.68 0.28 1.61 0.11 -0.76 -4.36 120.40 119.93 2b2k s VAL 90 Ca 0.00 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.74 2b2k s VAL 90 Cb 0.00 -3.00 -0.09 0.00 -1.53 0.00 0.00 36.38 31.76 2b2k s VAL 90 CO 0.00 0.59 0.81 -1.61 -3.33 0.00 0.00 175.10 171.56 2b2k s GLU 91 N -0.78 4.32 0.14 1.54 0.41 -1.26 -3.83 118.70 119.24 2b2k s GLU 91 Ca 0.12 1.00 0.01 0.00 -0.41 0.00 0.00 54.97 55.69 2b2k s GLU 91 Cb -0.12 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 2b2k s GLU 91 CO 0.03 0.31 0.01 0.96 -0.49 0.00 0.00 175.26 176.08 2b2k s ILE 92 N -1.65 0.43 0.81 -1.63 -4.36 -1.26 0.39 121.20 113.93 2b2k s ILE 92 Ca 0.48 -1.94 -0.12 0.00 -0.26 0.00 0.00 60.65 58.81 2b2k s ILE 92 Cb -0.16 -2.02 0.08 0.00 1.25 0.00 0.00 42.46 41.61 2b2k s ILE 92 CO 0.21 -0.54 1.14 0.42 0.24 0.00 0.00 174.94 176.41 2b2k s THR 93 N -3.82 2.51 -0.10 8.37 -4.23 0.80 -4.83 115.64 114.34 2b2k s THR 93 Ca 0.22 0.17 -0.36 0.00 -1.18 0.00 0.00 61.69 60.53 2b2k s THR 93 Cb 0.07 -3.07 -0.13 0.00 1.34 0.00 0.00 72.50 70.70 2b2k s THR 93 CO 0.01 -0.22 1.77 -2.65 -0.54 0.00 0.00 174.62 173.00 2b2k n PRO 94 N -3.36 1.83 -1.89 3.99 -0.02 -1.26 -4.58 135.00 129.71 2b2k n PRO 94 Ca 0.07 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 2b2k n PRO 94 Cb 0.59 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2b2k n PRO 94 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2b2k s PRO 95 N 3.29 4.19 -0.14 0.52 0.04 -1.26 -4.80 135.00 136.84 2b2k s PRO 95 Ca 0.92 2.46 -0.09 0.00 0.04 0.00 0.00 61.00 64.33 2b2k s PRO 95 Cb -0.81 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2b2k s PRO 95 CO 0.53 -0.48 0.16 -2.00 0.04 0.00 0.00 177.00 175.25 2b2k s GLU 96 N -1.16 3.70 -0.23 4.56 2.12 0.75 -4.88 118.70 123.56 2b2k s GLU 96 Ca 0.57 -0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 2b2k s GLU 96 Cb -0.45 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 2b2k s GLU 96 CO 0.52 0.62 1.28 0.45 -0.54 0.00 0.00 175.26 177.60 2b2k s SER 97 N -0.60 6.80 0.00 -1.70 0.15 -1.26 -0.63 113.70 116.46 2b2k s SER 97 Ca 0.14 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.25 2b2k s SER 97 Cb -0.12 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2b2k s SER 97 CO 0.03 -0.93 0.24 2.30 1.20 0.00 0.00 173.24 176.09 2b2k n ILE 98 N 5.81 0.00 -2.71 6.45 -5.35 0.12 -4.86 119.36 118.81 2b2k n ILE 98 Ca 0.14 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 2b2k n ILE 98 Cb 0.46 1.01 0.03 0.00 -1.74 0.00 0.00 39.64 39.41 2b2k n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2b2k n TYR 99 N -0.64 -2.22 0.37 4.28 9.36 -1.17 -3.75 117.16 123.38 2b2k n TYR 99 Ca 0.01 -1.09 0.14 0.00 3.32 0.00 0.00 57.90 60.27 2b2k n TYR 99 Cb 0.03 1.31 0.41 0.00 -0.63 0.00 0.00 39.34 40.46 2b2k n TYR 99 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2b2k h PRO 100 N 4.29 0.00 -0.57 2.98 0.13 -1.89 -1.74 132.00 135.20 2b2k h PRO 100 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2b2k h PRO 100 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2b2k h PRO 100 CO -0.01 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.36 2b2k n ASP 101 N -2.74 3.89 -4.76 1.44 5.75 -1.26 -4.40 116.55 114.47 2b2k n ASP 101 Ca 0.03 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.20 2b2k n ASP 101 Cb 0.40 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 2b2k n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2b2k s PHE 102 N -1.37 2.96 -0.04 2.11 5.36 -1.12 -4.95 117.98 120.93 2b2k s PHE 102 Ca 0.42 1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 57.51 2b2k s PHE 102 Cb 0.24 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 2b2k s PHE 102 CO 0.24 -2.51 0.10 0.50 -1.46 0.00 0.00 175.22 172.09 2b2k s ARG 103 N -1.02 0.08 -0.15 10.12 3.52 -1.26 -1.61 118.95 128.62 2b2k s ARG 103 Ca 0.56 0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 56.27 2b2k s ARG 103 Cb -0.42 -0.07 0.05 0.00 -1.56 0.00 0.00 34.95 32.94 2b2k s ARG 103 CO 0.49 -0.09 0.37 0.12 -0.81 0.00 0.00 175.30 175.38 2b2k s PHE 104 N 0.59 -0.48 -0.05 5.12 5.36 0.42 -4.99 117.98 123.95 2b2k s PHE 104 Ca -0.05 1.10 0.03 0.00 -0.96 0.00 0.00 56.93 57.05 2b2k s PHE 104 Cb -0.06 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.81 2b2k s PHE 104 CO -0.02 -0.26 -0.13 0.50 -1.46 0.00 0.00 175.22 173.84 2b2k s ARG 105 N 0.84 1.58 -0.14 10.12 3.52 -1.26 0.37 118.95 133.97 2b2k s ARG 105 Ca -0.05 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 2b2k s ARG 105 Cb -0.06 -1.35 0.12 0.00 -1.56 0.00 0.00 34.95 32.10 2b2k s ARG 105 CO -0.06 0.11 0.99 0.00 -0.81 0.00 0.00 175.30 175.53 2b2k s ALA 106 N 0.38 -1.92 -0.14 6.12 0.00 0.12 -4.98 121.76 121.34 2b2k s ALA 106 Ca -0.09 1.53 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 2b2k s ALA 106 Cb -0.13 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2b2k s ALA 106 CO 0.03 -0.35 0.06 0.99 0.00 0.00 0.00 175.76 176.48 2b2k s THR 107 N -1.34 4.81 0.59 0.00 2.01 -1.26 -0.99 115.64 119.46 2b2k s THR 107 Ca -0.01 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 2b2k s THR 107 Cb -0.01 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.42 2b2k s THR 107 CO 0.01 0.54 0.86 1.51 -0.69 0.00 0.00 174.62 176.85 2b2k s ASP 108 N -0.31 5.33 0.41 3.53 -4.77 -0.10 -4.92 116.67 115.83 2b2k s ASP 108 Ca 0.09 0.39 0.15 0.00 -3.30 0.00 0.00 52.55 49.87 2b2k s ASP 108 Cb -0.12 -1.29 0.79 0.00 -1.09 0.00 0.00 42.92 41.21 2b2k s ASP 108 CO 0.02 -1.18 1.35 -0.65 0.70 0.00 0.00 175.17 175.41 2b2k h PRO 109 N -0.14 0.00 -0.11 2.11 0.11 -1.99 -0.32 132.00 131.65 2b2k h PRO 109 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2b2k h PRO 109 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2b2k h PRO 109 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 2b2k n SER 110 N -2.21 2.24 0.00 -2.05 3.41 -1.26 -4.98 113.62 108.77 2b2k n SER 110 Ca -0.01 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 2b2k n SER 110 Cb 0.40 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2b2k n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b2k n GLY 111 N -0.14 0.58 3.74 5.00 0.00 -0.13 -5.08 105.19 109.16 2b2k n GLY 111 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2b2k n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b2k s ILE 112 N -2.00 4.24 -0.14 -0.61 -1.09 -1.26 -4.12 121.20 116.22 2b2k s ILE 112 Ca 0.00 2.06 -0.02 0.00 -2.23 0.00 0.00 60.65 60.45 2b2k s ILE 112 Cb 0.00 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2b2k s ILE 112 CO 0.00 0.41 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.36 2b2k s VAL 113 N -0.64 3.64 -0.15 2.92 1.01 0.31 -0.92 120.40 126.56 2b2k s VAL 113 Ca 0.44 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2b2k s VAL 113 Cb -0.25 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2b2k s VAL 113 CO 0.31 0.52 0.10 -1.61 0.00 0.00 0.00 175.10 174.42 2b2k s GLU 114 N 0.20 3.66 -0.30 2.72 0.41 -0.16 -4.38 118.70 120.85 2b2k s GLU 114 Ca -0.04 -0.25 -0.03 0.00 -0.41 0.00 0.00 54.97 54.24 2b2k s GLU 114 Cb -0.14 -3.18 0.11 0.00 -1.78 0.00 0.00 34.13 29.13 2b2k s GLU 114 CO 0.04 0.54 0.14 1.21 -0.49 0.00 0.00 175.26 176.70 2b2k s ASN 115 N -0.37 3.48 0.03 -0.19 2.47 -1.25 0.11 114.94 119.21 2b2k s ASN 115 Ca 0.10 -1.42 -0.06 0.00 0.42 0.00 0.00 52.86 51.90 2b2k s ASN 115 Cb -0.12 -0.37 -0.01 0.00 -1.45 0.00 0.00 41.25 39.30 2b2k s ASN 115 CO 0.01 -0.42 0.11 -1.61 -3.72 0.00 0.00 177.10 171.47 2b2k s GLU 116 N 1.94 0.55 -0.42 0.43 2.02 0.16 -2.40 118.70 120.98 2b2k s GLU 116 Ca 0.10 -0.63 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 2b2k s GLU 116 Cb -0.17 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.30 2b2k s GLU 116 CO -0.31 -0.14 0.56 0.08 0.02 0.00 0.00 175.26 175.47 2b2k s VAL 117 N -2.17 4.93 -0.47 2.63 1.01 -0.53 -0.43 120.40 125.36 2b2k s VAL 117 Ca -0.09 0.01 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2b2k s VAL 117 Cb -0.04 -4.12 0.22 0.00 0.00 0.00 0.00 36.38 32.44 2b2k s VAL 117 CO -0.02 -0.49 0.51 0.00 0.00 0.00 0.00 175.10 175.09 2b2k n PRO 119 N 1.78 1.40 -4.59 0.00 -0.04 -1.21 -4.46 135.00 127.88 2b2k n PRO 119 Ca 0.25 0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 63.87 2b2k n PRO 119 Cb 0.47 -2.04 -0.11 0.00 -0.04 0.00 0.00 33.50 31.78 2b2k n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b2k s VAL 120 N -1.24 3.79 0.26 0.52 1.01 -0.67 -2.15 120.40 121.92 2b2k s VAL 120 Ca 0.62 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2b2k s VAL 120 Cb -0.57 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 2b2k s VAL 120 CO 0.57 0.60 -0.02 -0.36 0.00 0.00 0.00 175.10 175.90 2b2k s PHE 121 N -0.80 1.76 0.04 5.22 0.40 -0.25 -0.70 117.98 123.66 2b2k s PHE 121 Ca 0.12 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 2b2k s PHE 121 Cb -0.11 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 2b2k s PHE 121 CO 0.02 0.09 -0.08 0.00 0.70 0.00 0.00 175.22 175.94 2b2k s ALA 122 N -3.25 0.59 0.25 5.36 0.00 0.20 -1.55 121.76 123.35 2b2k s ALA 122 Ca 0.30 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 2b2k s ALA 122 Cb 0.05 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.24 2b2k s ALA 122 CO 0.11 -0.01 0.71 0.00 0.00 0.00 0.00 175.76 176.57 2b2k s ALA 123 N -1.33 -1.32 -0.06 0.00 0.00 -0.73 -0.18 121.76 118.14 2b2k s ALA 123 Ca -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 2b2k s ALA 123 Cb -0.10 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2b2k s ALA 123 CO 0.00 -0.99 0.07 1.03 0.00 0.00 0.00 175.76 175.88 2b2k s ARG 124 N -3.85 3.12 0.27 0.00 1.81 -1.26 -1.65 118.95 117.39 2b2k s ARG 124 Ca 0.09 -0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.50 2b2k s ARG 124 Cb -0.05 -2.91 -0.09 0.00 -0.45 0.00 0.00 34.95 31.45 2b2k s ARG 124 CO 0.03 0.70 0.82 0.95 -0.68 0.00 0.00 175.30 177.12 2b2k s THR 125 N -1.05 4.41 0.00 0.02 -4.23 -0.57 -0.14 115.64 114.08 2b2k s THR 125 Ca 0.18 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 2b2k s THR 125 Cb -0.12 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2b2k s THR 125 CO 0.08 0.18 0.62 0.35 -0.54 0.00 0.00 174.62 175.31 2b2k n THR 126 N 0.66 0.37 -4.31 3.99 -2.24 0.16 -4.50 114.28 108.42 2b2k n THR 126 Ca -0.01 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 61.06 2b2k n THR 126 Cb 0.51 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 2b2k n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2b2k s SER 127 N -0.37 1.18 0.97 3.42 1.04 -1.23 -4.91 113.70 113.80 2b2k s SER 127 Ca 0.00 -1.46 -0.12 0.00 0.48 0.00 0.00 55.95 54.85 2b2k s SER 127 Cb 0.00 0.29 0.17 0.00 0.10 0.00 0.00 66.02 66.59 2b2k s SER 127 CO 0.00 -0.82 1.08 0.00 0.98 0.00 0.00 173.24 174.49 2b2k s ALA 128 N -3.75 1.01 0.29 5.32 0.00 -1.26 -4.68 121.76 118.68 2b2k s ALA 128 Ca 0.37 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 2b2k s ALA 128 Cb 0.06 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2b2k s ALA 128 CO 0.15 -2.79 0.70 -0.51 0.00 0.00 0.00 175.76 173.31 2b2k s LEU 129 N -6.51 4.13 -0.50 0.00 1.43 -1.26 -4.47 118.68 111.50 2b2k s LEU 129 Ca 0.65 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2b2k s LEU 129 Cb -0.20 -3.92 0.16 0.00 0.03 0.00 0.00 46.19 42.26 2b2k s LEU 129 CO 0.59 -0.14 0.36 -1.10 0.23 0.00 0.00 176.35 176.29 2b2k s GLN 130 N -2.77 1.40 0.25 1.70 -1.52 0.12 -4.98 119.66 113.87 2b2k s GLN 130 Ca 0.51 -2.42 -0.31 0.00 -1.95 0.00 0.00 55.36 51.20 2b2k s GLN 130 Cb -0.11 -2.14 -0.13 0.00 -0.22 0.00 0.00 33.01 30.40 2b2k s GLN 130 CO 0.18 -1.31 1.32 -0.89 -0.25 0.00 0.00 175.29 174.34 2b2k n ILE 131 N 2.76 1.22 -3.20 1.08 2.08 -1.25 -2.73 119.36 119.32 2b2k n ILE 131 Ca 0.23 -0.31 -0.44 0.00 0.56 0.00 0.00 62.75 62.79 2b2k n ILE 131 Cb 0.41 -1.38 -0.06 0.00 -0.75 0.00 0.00 39.64 37.86 2b2k n ILE 131 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2b2k s ASN 132 N 0.08 6.21 0.60 4.38 3.84 -0.17 -4.94 114.94 124.94 2b2k s ASN 132 Ca 0.66 -1.00 0.34 0.00 0.21 0.00 0.00 52.86 53.06 2b2k s ASN 132 Cb -0.66 -2.27 1.92 0.00 -0.55 0.00 0.00 41.25 39.69 2b2k s ASN 132 CO 0.53 -0.85 2.25 0.44 -2.79 0.00 0.00 177.10 176.69 2b2k h ASP 133 N 8.95 0.00 0.32 -4.21 3.32 -1.88 0.40 116.42 123.32 2b2k h ASP 133 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2b2k h ASP 133 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2b2k h ASP 133 CO 0.95 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.96 2b2k n ASP 134 N -3.57 0.00 0.00 6.45 8.00 -1.26 -4.04 116.55 122.14 2b2k n ASP 134 Ca -0.03 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2b2k n ASP 134 Cb 0.11 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2b2k n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2b2k n GLU 135 N -1.18 0.75 -4.22 -1.24 -0.58 0.11 -4.81 120.64 109.47 2b2k n GLU 135 Ca 0.16 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.62 2b2k n GLU 135 Cb 0.17 -0.96 -0.17 0.00 -0.57 0.00 0.00 31.44 29.92 2b2k n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2b2k s VAL 136 N -1.91 1.29 -0.92 2.62 1.01 0.50 -1.49 120.40 121.50 2b2k s VAL 136 Ca 0.00 -0.50 0.21 0.00 0.00 0.00 0.00 61.98 61.70 2b2k s VAL 136 Cb 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 36.38 34.92 2b2k s VAL 136 CO 0.00 0.41 0.87 1.15 0.00 0.00 0.00 175.10 177.52 2b2k n MET 137 N 4.48 0.06 -3.56 2.72 0.00 -0.37 -4.09 117.12 116.36 2b2k n MET 137 Ca -0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 57.70 57.45 2b2k n MET 137 Cb 0.51 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.21 2b2k n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2b2k s ASP 138 N -3.13 -0.28 0.29 3.17 2.15 -1.23 -4.99 116.67 112.65 2b2k s ASP 138 Ca 0.07 -0.06 -0.20 0.00 0.43 0.00 0.00 52.55 52.78 2b2k s ASP 138 Cb 0.16 0.34 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 2b2k s ASP 138 CO 0.87 -0.57 0.75 -0.72 -0.17 0.00 0.00 175.17 175.34 2b2k s TYR 139 N -2.98 -0.13 -0.14 -5.34 -0.85 -1.26 -0.80 117.35 105.85 2b2k s TYR 139 Ca 0.07 -0.36 -0.21 0.00 -0.52 0.00 0.00 57.07 56.06 2b2k s TYR 139 Cb -0.01 0.73 0.05 0.00 0.38 0.00 0.00 41.96 43.11 2b2k s TYR 139 CO -0.06 -1.26 0.54 -1.14 -1.52 0.00 0.00 175.55 172.10 2b2k s GLN 140 N -3.57 0.73 -0.22 -3.49 2.00 0.31 -4.99 119.66 110.43 2b2k s GLN 140 Ca 0.12 0.50 -0.16 0.00 -2.00 0.00 0.00 55.36 53.82 2b2k s GLN 140 Cb -0.05 0.35 -0.04 0.00 0.80 0.00 0.00 33.01 34.07 2b2k s GLN 140 CO 0.07 -0.15 0.43 -1.58 -0.50 0.00 0.00 175.29 173.57 2b2k s TRP 141 N -0.28 3.33 0.09 1.67 0.52 -1.26 -0.08 118.94 122.93 2b2k s TRP 141 Ca -0.05 0.60 0.02 0.00 0.02 0.00 0.00 56.10 56.70 2b2k s TRP 141 Cb -0.03 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 2b2k s TRP 141 CO 0.03 -0.11 -0.07 0.00 0.02 0.00 0.00 176.95 176.82 2b2k s ASP 143 N -2.80 7.18 0.30 0.00 1.01 -1.26 0.98 116.67 122.08 2b2k s ASP 143 Ca 0.08 2.05 0.03 0.00 0.71 0.00 0.00 52.55 55.43 2b2k s ASP 143 Cb 0.02 -2.59 0.60 0.00 1.01 0.00 0.00 42.92 41.97 2b2k s ASP 143 CO -0.03 -0.34 1.86 0.25 0.21 0.00 0.00 175.17 177.12 2b2k h LEU 144 N 5.87 0.87 -0.38 1.23 5.85 -1.93 -2.37 115.31 124.45 2b2k h LEU 144 Ca -0.43 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2b2k h LEU 144 Cb 1.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2b2k h LEU 144 CO 0.76 0.48 0.14 0.00 -0.34 0.00 0.00 178.44 179.48 2b2k h ALA 145 N 1.55 0.45 -0.28 1.25 0.00 -1.99 0.93 119.26 121.17 2b2k h ALA 145 Ca 0.47 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.46 2b2k h ALA 145 Cb 0.48 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2b2k h ALA 145 CO -0.23 -0.25 0.04 -0.44 0.00 0.00 0.00 179.25 178.37 2b2k h ASP 146 N 0.30 -0.03 -0.93 0.00 3.32 -1.84 0.18 116.42 117.42 2b2k h ASP 146 Ca 0.17 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2b2k h ASP 146 Cb 0.15 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 2b2k h ASP 146 CO -0.17 0.02 0.61 0.58 -1.72 0.00 0.00 179.24 178.56 2b2k h VAL 147 N 0.13 1.19 -0.00 -1.35 2.07 -1.03 0.38 116.25 117.65 2b2k h VAL 147 Ca 0.13 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 2b2k h VAL 147 Cb 0.15 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2b2k h VAL 147 CO -0.19 0.22 -0.53 -0.07 0.02 0.00 0.00 177.57 177.02 2b2k h LEU 148 N 1.21 0.01 -0.40 2.57 3.38 -0.18 -0.13 115.31 121.77 2b2k h LEU 148 Ca 0.36 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.15 2b2k h LEU 148 Cb -0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2b2k h LEU 148 CO -0.10 0.54 -0.52 0.45 0.09 0.00 0.00 178.44 178.90 2b2k h HIS 149 N 0.01 0.96 -0.45 1.13 3.86 0.11 -1.67 115.15 119.09 2b2k h HIS 149 Ca -0.00 -0.33 -0.09 0.00 -1.16 0.00 0.00 60.37 58.78 2b2k h HIS 149 Cb 0.95 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2b2k h HIS 149 CO 0.00 1.13 -0.10 0.78 0.86 0.00 0.00 177.93 180.59 2b2k h GLY 150 N 0.84 0.87 1.06 2.45 0.00 0.28 -1.36 103.07 107.21 2b2k h GLY 150 Ca 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 2b2k h GLY 150 CO 0.11 0.60 0.20 -2.22 0.00 0.00 0.00 176.54 175.23 2b2k h ILE 151 N 0.73 1.26 -0.37 2.60 2.04 -0.98 0.23 117.51 123.03 2b2k h ILE 151 Ca 0.12 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2b2k h ILE 151 Cb 0.59 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2b2k h ILE 151 CO 0.04 0.37 0.14 -0.78 0.00 0.00 0.00 178.15 177.92 2b2k h ASP 152 N 1.10 0.52 -0.05 1.72 3.58 -1.10 -2.80 116.42 119.40 2b2k h ASP 152 Ca 0.23 -0.18 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2b2k h ASP 152 Cb 0.35 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.27 2b2k h ASP 152 CO -0.00 0.56 -0.53 0.00 -2.88 0.00 0.00 179.24 176.39 2b2k h ALA 153 N 0.98 0.13 -2.09 -0.78 0.00 -0.93 -3.41 119.26 113.17 2b2k h ALA 153 Ca 0.12 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 53.93 2b2k h ALA 153 Cb 0.21 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.62 2b2k h ALA 153 CO -0.01 0.34 -1.01 0.25 0.00 0.00 0.00 179.25 178.82 2b2k n THR 154 N -4.25 -0.27 0.28 0.00 -2.24 0.80 -4.96 114.28 103.63 2b2k n THR 154 Ca -0.09 -4.14 0.15 0.00 -2.27 0.00 0.00 64.05 57.70 2b2k n THR 154 Cb 0.62 -1.95 0.82 0.00 -2.10 0.00 0.00 70.33 67.72 2b2k n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2b2k h PRO 155 N 4.22 0.00 0.00 -0.78 0.13 -1.65 -2.14 132.00 131.78 2b2k h PRO 155 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2b2k h PRO 155 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2b2k h PRO 155 CO 0.51 0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.68 2b2k n TRP 156 N -3.55 0.00 1.23 1.56 4.27 -1.26 -2.42 117.44 117.27 2b2k n TRP 156 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 2b2k n TRP 156 Cb 0.19 -0.27 0.30 0.00 -1.36 0.00 0.00 31.31 30.17 2b2k n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2b2k n ALA 157 N -1.27 2.54 -2.41 -1.67 0.00 -0.80 -4.95 120.51 111.94 2b2k n ALA 157 Ca 0.08 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.75 2b2k n ALA 157 Cb 0.13 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 2b2k n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2b2k s PHE 158 N -2.01 1.85 0.36 0.00 0.08 -1.02 -4.47 117.98 112.78 2b2k s PHE 158 Ca 0.32 -0.88 -0.28 0.00 0.12 0.00 0.00 56.93 56.22 2b2k s PHE 158 Cb 0.20 -1.13 -0.12 0.00 -0.57 0.00 0.00 43.02 41.40 2b2k s PHE 158 CO 0.32 0.07 1.34 -1.13 -0.10 0.00 0.00 175.22 175.73 2b2k n SER 159 N -0.59 3.02 0.07 1.36 3.41 0.04 -4.87 113.62 116.06 2b2k n SER 159 Ca -0.04 1.20 0.05 0.00 -0.26 0.00 0.00 58.87 59.82 2b2k n SER 159 Cb 0.65 -1.52 0.48 0.00 -0.26 0.00 0.00 64.21 63.55 2b2k n SER 159 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2b2k h PRO 160 N 2.60 0.40 0.00 4.33 0.11 -1.92 -2.36 132.00 135.15 2b2k h PRO 160 Ca -0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2b2k h PRO 160 Cb 1.27 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2b2k h PRO 160 CO 0.63 0.27 -0.51 0.11 -0.21 0.00 0.00 178.00 178.29 2b2k h TRP 161 N 0.41 0.00 -0.46 0.65 0.09 -1.99 -1.34 115.95 113.31 2b2k h TRP 161 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.05 2b2k h TRP 161 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.18 2b2k h TRP 161 CO 0.00 0.51 0.13 1.98 0.09 0.00 0.00 178.44 181.15 2b2k h MET 162 N 0.00 0.72 0.06 0.12 4.05 -1.79 -1.53 114.93 116.56 2b2k h MET 162 Ca -0.01 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2b2k h MET 162 Cb 1.04 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2b2k h MET 162 CO 0.07 0.70 -0.03 0.28 0.23 0.00 0.00 176.91 178.15 2b2k h VAL 163 N 0.61 1.06 -0.86 -5.77 2.07 -1.30 -1.39 116.25 110.66 2b2k h VAL 163 Ca 0.15 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2b2k h VAL 163 Cb 0.29 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2b2k h VAL 163 CO -0.00 0.10 0.55 0.24 0.02 0.00 0.00 177.57 178.48 2b2k h MET 164 N -0.26 1.02 -0.31 1.57 2.86 -1.25 -1.41 114.93 117.15 2b2k h MET 164 Ca -0.01 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 2b2k h MET 164 Cb 0.23 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2b2k h MET 164 CO 0.01 0.67 -0.48 1.96 1.06 0.00 0.00 176.91 180.13 2b2k h GLN 165 N 1.05 0.87 0.00 1.72 4.20 -1.18 -3.04 115.11 118.73 2b2k h GLN 165 Ca 0.36 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 2b2k h GLN 165 Cb 0.06 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2b2k h GLN 165 CO -0.14 1.16 -0.24 0.00 -0.67 0.00 0.00 178.83 178.95 2b2k h ALA 166 N 0.70 1.40 -0.21 3.87 0.00 -0.92 -2.32 119.26 121.77 2b2k h ALA 166 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2b2k h ALA 166 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2b2k h ALA 166 CO 0.11 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.91 2b2k n THR 167 N -3.95 0.27 -2.52 0.00 -2.24 -0.56 -4.41 114.28 100.87 2b2k n THR 167 Ca -0.02 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2b2k n THR 167 Cb 0.32 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 2b2k n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2b2k s ASN 168 N -1.62 7.07 0.22 3.42 3.84 -0.87 -4.93 114.94 122.06 2b2k s ASN 168 Ca 0.34 1.69 -0.08 0.00 0.21 0.00 0.00 52.86 55.02 2b2k s ASN 168 Cb 0.20 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.68 2b2k s ASN 168 CO 0.29 -0.61 1.73 -0.09 -2.79 0.00 0.00 177.10 175.63 2b2k h ARG 169 N 7.56 0.38 -0.09 0.43 2.43 -1.88 0.10 114.38 123.31 2b2k h ARG 169 Ca -0.30 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.68 2b2k h ARG 169 Cb 1.13 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2b2k h ARG 169 CO 0.91 0.25 -0.59 0.93 -1.51 0.00 0.00 179.97 179.95 2b2k h GLU 170 N 0.39 0.56 -0.24 0.20 3.07 -1.91 -2.00 114.58 114.65 2b2k h GLU 170 Ca 0.34 -0.48 0.04 0.00 -0.50 0.00 0.00 59.36 58.76 2b2k h GLU 170 Cb 0.47 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 2b2k h GLU 170 CO -0.36 1.11 -0.01 0.00 -1.40 0.00 0.00 179.01 178.36 2b2k h ALA 171 N 0.46 0.21 -0.91 3.43 0.00 -1.57 -1.94 119.26 118.94 2b2k h ALA 171 Ca -0.05 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2b2k h ALA 171 Cb 1.25 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 2b2k h ALA 171 CO 0.12 -0.43 0.55 -0.09 0.00 0.00 0.00 179.25 179.40 2b2k h ARG 172 N 0.07 0.85 0.00 0.00 2.43 -0.72 0.23 114.38 117.24 2b2k h ARG 172 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2b2k h ARG 172 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2b2k h ARG 172 CO -0.20 0.56 -0.25 0.87 -1.51 0.00 0.00 179.97 179.44 2b2k h LYS 173 N 0.88 0.00 -0.16 0.20 1.57 -0.62 -1.03 116.57 117.40 2b2k h LYS 173 Ca 0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.07 2b2k h LYS 173 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 2b2k h LYS 173 CO -0.26 0.25 -0.54 0.00 -0.57 0.00 0.00 179.45 178.33 2b2k h ARG 174 N 0.00 0.65 -0.34 3.15 2.47 0.01 -2.35 114.38 117.97 2b2k h ARG 174 Ca -0.00 -0.48 0.07 0.00 -1.26 0.00 0.00 59.98 58.30 2b2k h ARG 174 Cb 0.48 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.82 2b2k h ARG 174 CO 0.03 1.10 -0.07 -0.07 0.56 0.00 0.00 179.97 181.52 2b2k h LEU 175 N 0.32 -0.29 -0.70 3.04 3.38 -0.70 -1.43 115.31 118.92 2b2k h LEU 175 Ca -0.02 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2b2k h LEU 175 Cb 1.16 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 2b2k h LEU 175 CO 0.11 -0.10 0.29 0.28 0.09 0.00 0.00 178.44 179.12 2b2k h SER 176 N 0.01 0.32 -0.16 -0.43 0.02 -1.11 0.13 113.55 112.33 2b2k h SER 176 Ca 0.16 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 2b2k h SER 176 Cb 0.25 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2b2k h SER 176 CO -0.34 0.16 0.13 0.00 -1.14 0.00 0.00 176.83 175.64 2b2k h ALA 177 N 1.47 2.05 -0.01 3.77 0.00 -0.71 -0.70 119.26 125.15 2b2k h ALA 177 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2b2k h ALA 177 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2b2k h ALA 177 CO -0.34 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 179.90 2b2k n PHE 178 N -4.33 0.01 1.17 0.00 3.01 0.46 -2.90 117.46 114.89 2b2k n PHE 178 Ca 0.01 -0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 2b2k n PHE 178 Cb 0.25 0.00 0.58 0.00 -0.01 0.00 0.00 39.48 40.30 2b2k n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2b2k n THR 179 N -0.70 0.00 -1.94 4.37 -2.24 -0.27 -4.46 114.28 109.04 2b2k n THR 179 Ca 0.21 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 2b2k n THR 179 Cb 0.16 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2b2k n THR 179 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2b2k s GLN 180 N -2.80 4.01 0.04 -0.78 0.74 -1.14 -4.35 119.66 115.38 2b2k s GLN 180 Ca 0.20 2.33 -0.30 0.00 0.05 0.00 0.00 55.36 57.64 2b2k s GLN 180 Cb 0.19 -2.85 -0.06 0.00 1.10 0.00 0.00 33.01 31.40 2b2k s GLN 180 CO 0.53 -0.52 1.29 -1.17 -0.55 0.00 0.00 175.29 174.87 2b2k s LEU 181 N -2.29 4.34 -0.08 3.68 0.20 -1.26 -4.08 118.68 119.19 2b2k s LEU 181 Ca 0.55 2.07 0.00 0.00 0.69 0.00 0.00 54.13 57.44 2b2k s LEU 181 Cb -0.42 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 41.79 2b2k s LEU 181 CO 0.55 -0.59 -0.05 -0.54 -0.29 0.00 0.00 176.35 175.43 2b2k s LYS 182 N 1.61 1.13 0.00 1.98 1.02 0.72 -5.00 119.74 121.20 2b2k s LYS 182 Ca 0.61 -0.14 0.24 0.00 0.02 0.00 0.00 55.97 56.69 2b2k s LYS 182 Cb -0.31 -1.21 0.19 0.00 -0.52 0.00 0.00 37.83 35.98 2b2k s LYS 182 CO 0.27 -0.18 1.24 1.28 -0.92 0.00 0.00 175.35 177.04