#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 1.40 0.24 4.31 -3.43 -1.26 -2.21 115.29 114.34 2b2k s HIS 5 Ca 0.00 -1.48 0.11 0.00 -0.80 0.00 0.00 55.06 52.89 2b2k s HIS 5 Cb 0.00 -0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 30.53 2b2k s HIS 5 CO 0.00 -0.79 -0.14 0.14 -2.00 0.00 0.00 174.74 171.96 2b2k s VAL 6 N -3.76 2.85 -0.37 -5.38 -7.23 -0.38 -4.70 120.40 101.43 2b2k s VAL 6 Ca 0.39 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 2b2k s VAL 6 Cb 0.04 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2b2k s VAL 6 CO 0.20 -0.28 0.23 -0.63 -0.31 0.00 0.00 175.10 174.30 2b2k s ILE 7 N -2.14 4.84 0.36 -0.62 1.01 -1.26 -1.97 121.20 121.41 2b2k s ILE 7 Ca 0.28 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 2b2k s ILE 7 Cb -0.07 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 2b2k s ILE 7 CO 0.15 -0.20 1.34 -0.76 0.00 0.00 0.00 174.94 175.47 2b2k s LEU 8 N 1.61 4.36 -0.02 2.97 1.43 -0.17 -1.35 118.68 127.51 2b2k s LEU 8 Ca 0.04 2.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 2b2k s LEU 8 Cb -0.19 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2b2k s LEU 8 CO 0.08 -0.67 -0.21 -0.76 0.23 0.00 0.00 176.35 175.02 2b2k s LEU 9 N -2.00 2.04 0.00 1.79 1.43 -0.62 -1.81 118.68 119.51 2b2k s LEU 9 Ca 0.51 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2b2k s LEU 9 Cb -0.41 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2b2k s LEU 9 CO 0.54 0.25 0.00 -0.46 0.23 0.00 0.00 176.35 176.91 2b2k n ASN 10 N 2.60 -0.43 -0.07 2.29 2.04 -0.46 -4.75 115.26 116.48 2b2k n ASN 10 Ca -0.15 -0.68 -0.07 0.00 -0.44 0.00 0.00 54.58 53.24 2b2k n ASN 10 Cb 0.53 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.77 2b2k n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2b2k h ALA 11 N -2.00 0.04 -2.32 -2.53 0.00 -2.00 -3.38 119.26 107.06 2b2k h ALA 11 Ca 0.00 0.10 -0.45 0.00 0.00 0.00 0.00 54.91 54.57 2b2k h ALA 11 Cb 0.00 0.38 0.16 0.00 0.00 0.00 0.00 17.79 18.33 2b2k h ALA 11 CO 0.00 -0.57 0.23 -1.14 0.00 0.00 0.00 179.25 177.77 2b2k s GLN 12 N -6.15 0.32 -0.08 0.00 -0.44 -1.26 -4.90 119.66 107.14 2b2k s GLN 12 Ca -0.14 0.26 0.01 0.00 -2.50 0.00 0.00 55.36 52.99 2b2k s GLN 12 Cb 0.13 -1.75 0.14 0.00 -1.64 0.00 0.00 33.01 29.89 2b2k s GLN 12 CO 0.69 -2.75 1.08 0.41 0.50 0.00 0.00 175.29 175.22 2b2k n GLY 13 N -1.60 2.33 3.66 2.59 0.00 -1.26 -4.86 105.19 106.06 2b2k n GLY 13 Ca 0.08 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.83 4.20 0.13 1.61 1.01 -1.26 -4.77 120.40 120.49 2b2k s VAL 14 Ca 0.11 1.46 -0.35 0.00 0.00 0.00 0.00 61.98 63.20 2b2k s VAL 14 Cb 0.09 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 2b2k s VAL 14 CO 0.02 -0.13 1.21 -2.65 0.00 0.00 0.00 175.10 173.56 2b2k n PRO 15 N 6.64 1.04 0.00 2.72 -0.02 -1.26 -1.36 135.00 142.76 2b2k n PRO 15 Ca 0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2b2k n PRO 15 Cb 0.45 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2b2k n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2b2k n THR 16 N 1.87 0.00 -1.06 3.45 -2.24 -0.75 -4.87 114.28 110.68 2b2k n THR 16 Ca 0.17 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2b2k n THR 16 Cb 0.21 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.09 -1.60 3.33 3.38 0.00 -1.26 -5.02 105.19 104.12 2b2k n GLY 17 Ca 0.00 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.11 0.66 -0.02 2.61 -4.23 -1.26 -1.00 115.64 110.29 2b2k s THR 18 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2b2k s THR 18 Cb 0.00 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2b2k s THR 18 CO 0.00 -0.03 0.26 -0.76 -0.54 0.00 0.00 174.62 173.55 2b2k s LEU 19 N -3.33 1.04 0.46 4.79 1.43 -0.83 -4.90 118.68 117.35 2b2k s LEU 19 Ca 0.37 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 2b2k s LEU 19 Cb 0.08 1.08 -0.09 0.00 0.03 0.00 0.00 46.19 47.29 2b2k s LEU 19 CO 0.13 -0.39 1.08 1.21 0.23 0.00 0.00 176.35 178.61 2b2k n GLU 20 N 1.48 1.41 -0.09 1.70 0.00 -1.26 -1.25 120.64 122.63 2b2k n GLU 20 Ca -0.21 0.51 -0.11 0.00 0.00 0.00 0.00 57.16 57.35 2b2k n GLU 20 Cb 0.56 -2.17 -0.04 0.00 0.00 0.00 0.00 31.44 29.79 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 1.45 0.50 -0.30 5.31 3.64 -1.72 -2.13 116.57 123.32 2b2k h LYS 21 Ca -0.46 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 2b2k h LYS 21 Cb 1.33 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2b2k h LYS 21 CO 0.56 0.66 0.10 -0.92 -2.27 0.00 0.00 179.45 177.59 2b2k h TYR 22 N 0.28 0.47 0.00 1.91 3.20 -1.90 -2.82 116.97 118.11 2b2k h TYR 22 Ca 0.08 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2b2k h TYR 22 Cb 0.44 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2b2k h TYR 22 CO 0.04 0.48 0.00 0.00 -1.64 0.00 0.00 178.16 177.04 2b2k n ALA 23 N -2.29 1.45 0.12 1.82 0.00 -1.15 -3.03 120.51 117.44 2b2k n ALA 23 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.56 2b2k n ALA 23 Cb 0.15 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2b2k n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b2k h ALA 24 N 2.17 0.62 -2.62 0.00 0.00 -1.11 -3.43 119.26 114.89 2b2k h ALA 24 Ca 0.00 -0.54 -0.72 0.00 0.00 0.00 0.00 54.91 53.65 2b2k h ALA 24 Cb 0.25 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.72 2b2k h ALA 24 CO 0.00 0.74 -0.45 -1.01 0.00 0.00 0.00 179.25 178.53 2b2k s HIS 25 N -2.92 3.25 0.00 0.00 3.76 -1.17 -4.39 115.29 113.83 2b2k s HIS 25 Ca 0.03 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2b2k s HIS 25 Cb 0.08 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 31.10 2b2k s HIS 25 CO 0.76 -0.68 0.00 0.25 -0.85 0.00 0.00 174.74 174.22 2b2k n THR 26 N 5.07 0.00 0.85 1.30 -2.24 -1.26 -4.90 114.28 113.10 2b2k n THR 26 Ca -0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2b2k n THR 26 Cb 0.46 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.19 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 2.06 -2.11 6.98 0.00 -1.26 -0.91 120.51 122.28 2b2k n ALA 27 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2b2k n ALA 27 Cb 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.17 2b2k n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2b2k n ASP 28 N -1.45 2.63 -4.65 0.00 8.00 -1.26 -4.64 116.55 115.19 2b2k n ASP 28 Ca 0.07 -3.20 -0.47 0.00 0.71 0.00 0.00 54.79 51.89 2b2k n ASP 28 Cb 0.24 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 2b2k n ASP 28 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2b2k n THR 29 N -0.62 0.45 -3.20 -3.53 -1.04 -1.22 -4.96 114.28 100.16 2b2k n THR 29 Ca 0.23 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 2b2k n THR 29 Cb 0.88 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.21 3.66 0.18 -2.82 0.52 -1.26 -4.70 118.95 114.73 2b2k s ARG 30 Ca 0.75 0.11 -0.33 0.00 -0.52 0.00 0.00 55.73 55.75 2b2k s ARG 30 Cb -0.74 -2.58 -0.12 0.00 0.52 0.00 0.00 34.95 32.04 2b2k s ARG 30 CO 0.45 0.14 1.70 -0.11 0.02 0.00 0.00 175.30 177.50 2b2k n LEU 31 N -1.09 3.72 -4.13 2.53 7.94 -1.26 -4.69 117.00 120.01 2b2k n LEU 31 Ca -0.01 1.06 -0.15 0.00 -1.11 0.00 0.00 56.01 55.79 2b2k n LEU 31 Cb 0.54 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.92 2b2k n LEU 31 CO 0.48 0.03 0.08 -1.38 -1.11 0.00 0.00 177.39 175.49 2b2k s HIS 32 N 1.35 1.20 0.11 1.96 -3.43 -0.54 -1.59 115.29 114.35 2b2k s HIS 32 Ca 0.77 -1.36 -0.23 0.00 -0.80 0.00 0.00 55.06 53.44 2b2k s HIS 32 Cb -0.56 -0.22 -0.07 0.00 -1.43 0.00 0.00 32.58 30.30 2b2k s HIS 32 CO 0.35 -1.07 0.70 -1.17 -2.00 0.00 0.00 174.74 171.55 2b2k s LEU 33 N -3.26 4.55 0.00 5.38 2.96 -0.46 -1.33 118.68 126.52 2b2k s LEU 33 Ca 0.33 1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 55.65 2b2k s LEU 33 Cb 0.00 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.58 2b2k s LEU 33 CO 0.21 0.21 0.58 0.00 -1.32 0.00 0.00 176.35 176.03 2b2k n ALA 34 N 1.82 -0.84 -2.44 5.97 0.00 -0.58 -4.32 120.51 120.12 2b2k n ALA 34 Ca -0.07 -1.45 -0.08 0.00 0.00 0.00 0.00 53.44 51.84 2b2k n ALA 34 Cb 0.50 1.16 -0.08 0.00 0.00 0.00 0.00 19.45 21.03 2b2k n ALA 34 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2b2k s PHE 35 N -2.78 0.26 -0.02 0.00 -0.12 0.51 -3.70 117.98 112.14 2b2k s PHE 35 Ca 0.24 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.44 2b2k s PHE 35 Cb -0.02 -0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2b2k s PHE 35 CO 0.17 -0.48 -0.12 0.45 -0.05 0.00 0.00 175.22 175.19 2b2k s SER 36 N -2.80 1.45 -0.01 1.98 0.15 -0.88 -2.07 113.70 111.52 2b2k s SER 36 Ca 0.04 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.48 2b2k s SER 36 Cb 0.05 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2b2k s SER 36 CO -0.10 0.13 -0.02 -0.55 1.20 0.00 0.00 173.24 173.90 2b2k s SER 37 N -0.14 0.31 -0.19 5.45 0.15 0.58 -0.27 113.70 119.59 2b2k s SER 37 Ca 0.02 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 2b2k s SER 37 Cb -0.06 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2b2k s SER 37 CO -0.00 0.01 -0.04 0.26 1.20 0.00 0.00 173.24 174.67 2b2k s TRP 38 N 0.12 2.97 -0.07 3.44 0.52 -0.55 -1.90 118.94 123.47 2b2k s TRP 38 Ca -0.01 -0.64 0.03 0.00 0.02 0.00 0.00 56.10 55.50 2b2k s TRP 38 Cb -0.03 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2b2k s TRP 38 CO -0.00 -0.32 -0.15 -0.51 0.02 0.00 0.00 176.95 175.98 2b2k s LEU 39 N 0.99 2.66 0.05 2.99 1.43 -1.26 -2.25 118.68 123.29 2b2k s LEU 39 Ca 0.00 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2b2k s LEU 39 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2b2k s LEU 39 CO 0.01 0.30 -0.23 -0.36 0.23 0.00 0.00 176.35 176.30 2b2k s PHE 40 N -0.47 2.02 0.39 0.29 0.40 -0.76 -0.55 117.98 119.30 2b2k s PHE 40 Ca 0.06 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2b2k s PHE 40 Cb -0.12 -1.21 0.08 0.00 0.51 0.00 0.00 43.02 42.28 2b2k s PHE 40 CO 0.02 0.11 0.53 0.27 0.70 0.00 0.00 175.22 176.84 2b2k n ASN 41 N 1.81 0.54 0.30 1.36 0.23 -0.18 -1.51 115.26 117.79 2b2k n ASN 41 Ca -0.17 -1.49 0.15 0.00 -0.53 0.00 0.00 54.58 52.54 2b2k n ASN 41 Cb 0.53 -0.36 0.92 0.00 -2.08 0.00 0.00 39.78 38.79 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 -0.82 1.52 -0.00 -2.53 0.00 -1.92 0.79 119.26 116.30 2b2k h ALA 42 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2b2k h ALA 42 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2b2k h ALA 42 CO 0.17 0.00 -0.08 1.63 0.00 0.00 0.00 179.25 180.97 2b2k n LYS 43 N -3.84 0.69 -0.44 0.00 4.01 -1.26 -4.89 118.16 112.43 2b2k n LYS 43 Ca -0.03 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 2b2k n LYS 43 Cb 0.08 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 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 1.26 0.77 3.76 0.72 0.00 0.27 -5.00 105.19 106.98 2b2k n GLY 44 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.56 4.59 0.06 1.61 -0.21 -1.26 -4.49 119.66 119.39 2b2k s GLN 45 Ca 0.00 1.62 -0.28 0.00 0.02 0.00 0.00 55.36 56.72 2b2k s GLN 45 Cb 0.00 -3.04 -0.05 0.00 1.00 0.00 0.00 33.01 30.92 2b2k s GLN 45 CO 0.00 0.22 0.87 -1.17 -2.12 0.00 0.00 175.29 173.09 2b2k s LEU 46 N -1.69 4.45 -0.27 2.90 2.96 0.66 -1.01 118.68 126.68 2b2k s LEU 46 Ca 0.47 1.61 -0.22 0.00 -0.22 0.00 0.00 54.13 55.77 2b2k s LEU 46 Cb -0.27 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2b2k s LEU 46 CO 0.34 -0.06 0.69 -0.22 -1.32 0.00 0.00 176.35 175.78 2b2k s LEU 47 N 0.16 4.09 -0.06 -0.68 2.96 0.29 -1.47 118.68 123.97 2b2k s LEU 47 Ca 0.44 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2b2k s LEU 47 Cb -0.22 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 2b2k s LEU 47 CO 0.26 -0.46 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.05 2b2k s VAL 48 N 2.67 3.53 0.27 1.68 1.01 -0.44 -3.35 120.40 125.77 2b2k s VAL 48 Ca 0.29 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2b2k s VAL 48 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2b2k s VAL 48 CO 0.10 0.59 -0.13 0.42 0.00 0.00 0.00 175.10 176.07 2b2k s THR 49 N -0.80 2.02 -0.13 3.92 -4.23 -0.78 -1.23 115.64 114.42 2b2k s THR 49 Ca 0.12 -2.25 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2b2k s THR 49 Cb -0.11 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 2b2k s THR 49 CO 0.01 -0.39 -0.19 -0.60 -0.54 0.00 0.00 174.62 172.92 2b2k s ARG 50 N -3.62 3.15 0.32 3.99 3.52 0.11 -0.60 118.95 125.82 2b2k s ARG 50 Ca 0.28 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.79 2b2k s ARG 50 Cb -0.00 -2.49 -0.10 0.00 -1.56 0.00 0.00 34.95 30.80 2b2k s ARG 50 CO 0.12 0.09 1.23 1.03 -0.81 0.00 0.00 175.30 176.96 2b2k s ARG 51 N 0.60 4.44 0.83 5.12 0.52 -0.57 -1.21 118.95 128.68 2b2k s ARG 51 Ca -0.11 2.06 -0.13 0.00 -0.52 0.00 0.00 55.73 57.03 2b2k s ARG 51 Cb -0.16 -3.09 0.06 0.00 0.52 0.00 0.00 34.95 32.27 2b2k s ARG 51 CO 0.03 -0.06 0.91 0.00 0.02 0.00 0.00 175.30 176.20 2b2k n ALA 52 N 0.90 -0.92 0.35 2.13 0.00 0.48 -1.19 120.51 122.25 2b2k n ALA 52 Ca -0.00 -0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.18 2b2k n ALA 52 Cb 0.43 -2.08 0.57 0.00 0.00 0.00 0.00 19.45 18.37 2b2k n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2b2k h LEU 53 N -1.05 0.00 -0.28 0.00 3.38 -1.91 -2.51 115.31 112.94 2b2k h LEU 53 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2b2k h LEU 53 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2b2k h LEU 53 CO 0.42 0.00 -0.31 -1.54 0.09 0.00 0.00 178.44 177.11 2b2k n SER 54 N -2.44 0.74 -4.76 -0.43 3.41 -1.26 -4.76 113.62 104.11 2b2k n SER 54 Ca 0.01 -0.59 -0.39 0.00 -0.26 0.00 0.00 58.87 57.64 2b2k n SER 54 Cb 0.22 0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.68 3.56 0.10 4.33 -0.14 -0.96 -4.90 119.74 119.05 2b2k s LYS 55 Ca 0.20 2.30 -0.14 0.00 -1.36 0.00 0.00 55.97 56.98 2b2k s LYS 55 Cb 0.19 -2.54 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 2b2k s LYS 55 CO 0.57 -0.88 1.38 -0.22 -0.76 0.00 0.00 175.35 175.45 2b2k h LYS 56 N 2.10 0.77 -5.60 1.68 1.63 -1.91 -3.36 116.57 111.87 2b2k h LYS 56 Ca -0.51 -0.48 -0.65 0.00 -0.85 0.00 0.00 60.65 58.17 2b2k h LYS 56 Cb 1.27 0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 32.81 2b2k h LYS 56 CO 0.60 1.10 -0.58 0.00 -3.45 0.00 0.00 179.45 177.12 2b2k s ALA 57 N -4.15 3.39 -1.34 5.00 0.00 -1.26 -4.60 121.76 118.80 2b2k s ALA 57 Ca -0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 2b2k s ALA 57 Cb 0.09 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2b2k s ALA 57 CO 0.86 0.41 0.45 0.91 0.00 0.00 0.00 175.76 178.39 2b2k n TRP 58 N 2.77 -1.53 -2.20 0.00 8.01 -1.26 -4.92 117.44 118.31 2b2k n TRP 58 Ca -0.18 0.47 -0.36 0.00 -1.31 0.00 0.00 57.50 56.12 2b2k n TRP 58 Cb 0.53 -3.19 0.00 0.00 -2.01 0.00 0.00 31.31 26.65 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 -6.90 3.45 -0.04 -0.99 0.04 -1.26 -2.93 135.00 126.38 2b2k s PRO 59 Ca 0.22 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2b2k s PRO 59 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2b2k s PRO 59 CO 0.93 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2b2k n GLY 60 N 0.35 0.37 3.84 0.56 0.00 -0.33 -4.93 105.19 105.06 2b2k n GLY 60 Ca 0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.72 5.15 0.16 1.61 1.01 -1.15 -4.71 120.40 120.74 2b2k s VAL 61 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 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 0.46 0.97 0.26 0.00 0.00 0.00 175.10 176.79 2b2k s TRP 62 N -1.14 3.85 0.35 5.22 0.52 -1.26 -1.51 118.94 124.96 2b2k s TRP 62 Ca 0.20 1.82 -0.05 0.00 0.02 0.00 0.00 56.10 58.09 2b2k s TRP 62 Cb -0.12 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.16 2b2k s TRP 62 CO 0.11 0.20 0.54 -0.08 0.02 0.00 0.00 176.95 177.74 2b2k s THR 63 N -0.41 0.00 1.12 2.01 -1.32 0.24 -1.02 115.64 116.27 2b2k s THR 63 Ca 0.45 -1.47 -0.16 0.00 -1.21 0.00 0.00 61.69 59.30 2b2k s THR 63 Cb -0.25 -2.68 0.25 0.00 -1.51 0.00 0.00 72.50 68.31 2b2k s THR 63 CO 0.31 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.36 2b2k s ASN 64 N -3.20 1.59 0.12 8.08 2.20 -1.26 -1.87 114.94 120.60 2b2k s ASN 64 Ca 0.27 0.85 -0.20 0.00 -0.94 0.00 0.00 52.86 52.84 2b2k s ASN 64 Cb -0.01 -1.28 -0.05 0.00 -2.00 0.00 0.00 41.25 37.91 2b2k s ASN 64 CO 0.18 -3.74 1.74 0.28 -2.94 0.00 0.00 177.10 172.62 2b2k h SER 65 N -2.31 0.01 -3.34 3.54 0.02 -1.50 -3.38 113.55 106.58 2b2k h SER 65 Ca -0.49 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 2b2k h SER 65 Cb 1.31 0.04 -0.24 0.00 0.14 0.00 0.00 62.40 63.64 2b2k h SER 65 CO 0.44 0.03 -0.18 0.54 -1.14 0.00 0.00 176.83 176.52 2b2k s VAL 66 N -6.19 -0.01 0.09 2.27 0.11 -0.80 -4.68 120.40 111.19 2b2k s VAL 66 Ca -0.13 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2b2k s VAL 66 Cb 0.09 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2b2k s VAL 66 CO 0.68 0.02 -0.12 0.00 -3.33 0.00 0.00 175.10 172.35 2b2k n GLY 68 N 0.92 0.99 2.88 0.00 0.00 -0.88 -5.00 105.19 104.11 2b2k n GLY 68 Ca -0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 -4.36 2.51 0.53 1.61 3.76 -1.26 -0.36 115.29 117.72 2b2k s HIS 69 Ca 0.09 -2.08 -0.22 0.00 -0.15 0.00 0.00 55.06 52.70 2b2k s HIS 69 Cb -0.01 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 2b2k s HIS 69 CO 0.02 -0.86 1.36 -2.14 -0.85 0.00 0.00 174.74 172.28 2b2k s PRO 70 N 1.34 3.25 0.49 8.40 0.02 -1.26 -4.95 135.00 142.30 2b2k s PRO 70 Ca 0.05 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 2b2k s PRO 70 Cb -0.18 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.01 2b2k s PRO 70 CO -0.13 -1.10 0.73 -0.65 -0.33 0.00 0.00 177.00 175.52 2b2k s GLN 71 N -2.82 3.01 0.17 5.54 -1.52 -1.26 -4.52 119.66 118.26 2b2k s GLN 71 Ca 0.69 -0.37 -0.34 0.00 -1.95 0.00 0.00 55.36 53.40 2b2k s GLN 71 Cb -0.41 -2.48 -0.15 0.00 -0.22 0.00 0.00 33.01 29.76 2b2k s GLN 71 CO 0.49 -0.39 1.43 1.28 -0.25 0.00 0.00 175.29 177.84 2b2k n LEU 72 N -2.22 2.57 0.00 2.90 4.32 -1.26 -0.77 117.00 122.55 2b2k n LEU 72 Ca 0.02 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 2b2k n LEU 72 Cb 0.58 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2b2k n LEU 72 CO 0.49 -0.64 0.00 0.61 -1.22 0.00 0.00 177.39 176.63 2b2k n GLY 73 N 2.70 1.79 3.78 -0.72 0.00 -1.26 -5.02 105.19 106.47 2b2k n GLY 73 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.09 3.96 0.58 1.61 2.12 0.06 -5.08 118.70 121.85 2b2k s GLU 74 Ca 0.00 -0.13 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 2b2k s GLU 74 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 2b2k s GLU 74 CO 0.00 0.46 1.08 -1.54 -0.54 0.00 0.00 175.26 174.72 2b2k s SER 75 N -0.11 5.72 0.22 -1.70 1.04 -1.26 -4.69 113.70 112.92 2b2k s SER 75 Ca 0.12 1.96 -0.12 0.00 0.48 0.00 0.00 55.95 58.39 2b2k s SER 75 Cb -0.12 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.75 2b2k s SER 75 CO 0.01 -1.21 1.63 0.78 0.98 0.00 0.00 173.24 175.42 2b2k h ASN 76 N 0.73 -0.54 -0.30 7.02 -0.26 -1.98 0.28 115.58 120.53 2b2k h ASN 76 Ca -0.48 0.20 -0.06 0.00 -0.56 0.00 0.00 56.30 55.40 2b2k h ASN 76 Cb 1.24 0.39 -0.02 0.00 -1.06 0.00 0.00 38.32 38.87 2b2k h ASN 76 CO 0.57 -0.20 0.01 -0.33 -1.06 0.00 0.00 177.43 176.41 2b2k h GLU 77 N 0.03 0.64 -0.12 0.81 3.07 -1.94 -1.69 114.58 115.37 2b2k h GLU 77 Ca 0.34 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 2b2k h GLU 77 Cb 0.54 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2b2k h GLU 77 CO -0.67 0.65 -0.71 -0.44 -1.40 0.00 0.00 179.01 176.44 2b2k h ASP 78 N 0.61 0.65 -0.40 1.42 3.32 -1.58 -2.55 116.42 117.89 2b2k h ASP 78 Ca 0.13 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2b2k h ASP 78 Cb 0.37 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2b2k h ASP 78 CO 0.01 1.16 0.24 0.00 -1.72 0.00 0.00 179.24 178.94 2b2k h ALA 79 N 0.83 0.51 0.17 3.45 0.00 -0.59 0.18 119.26 123.81 2b2k h ALA 79 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b2k h ALA 79 Cb 1.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2b2k h ALA 79 CO 0.13 -0.08 -0.27 0.28 0.00 0.00 0.00 179.25 179.30 2b2k h VAL 80 N 0.49 0.41 -0.51 0.00 2.07 -1.31 0.32 116.25 117.72 2b2k h VAL 80 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2b2k h VAL 80 Cb -0.01 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2b2k h VAL 80 CO -0.07 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.06 2b2k h ILE 81 N -0.52 0.76 0.22 4.57 2.04 -1.19 0.19 117.51 123.57 2b2k h ILE 81 Ca 0.02 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2b2k h ILE 81 Cb 0.52 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2b2k h ILE 81 CO -0.12 0.05 -0.32 -0.09 0.00 0.00 0.00 178.15 177.67 2b2k h ARG 82 N 0.29 -0.58 0.00 2.37 2.43 -0.19 -1.49 114.38 117.20 2b2k h ARG 82 Ca 0.26 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2b2k h ARG 82 Cb 0.32 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2b2k h ARG 82 CO -0.30 -0.39 -0.25 0.00 -1.51 0.00 0.00 179.97 177.52 2b2k h ARG 83 N -0.60 0.00 -0.30 0.20 2.47 0.25 0.53 114.38 116.93 2b2k h ARG 83 Ca 0.01 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2b2k h ARG 83 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2b2k h ARG 83 CO -0.13 0.25 0.01 0.00 0.56 0.00 0.00 179.97 180.67 2b2k h ARG 85 N 0.31 0.71 -0.12 0.00 3.08 -0.81 -0.47 114.38 117.08 2b2k h ARG 85 Ca 0.09 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2b2k h ARG 85 Cb 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2b2k h ARG 85 CO 0.01 0.60 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.37 2b2k h TYR 86 N 0.65 0.46 0.10 3.04 3.20 -0.65 0.50 116.97 124.27 2b2k h TYR 86 Ca 0.17 -0.16 -0.31 0.00 3.14 0.00 0.00 58.73 61.57 2b2k h TYR 86 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2b2k h TYR 86 CO -0.01 0.83 -1.56 0.93 -1.64 0.00 0.00 178.16 176.71 2b2k h GLU 87 N -0.04 0.22 0.00 1.82 5.08 -0.71 -3.40 114.58 117.54 2b2k h GLU 87 Ca 0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2b2k h GLU 87 Cb 0.80 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2b2k h GLU 87 CO 0.05 1.06 0.00 1.28 -1.00 0.00 0.00 179.01 180.40 2b2k n LEU 88 N -3.42 1.25 -2.47 1.33 4.77 -0.27 -2.25 117.00 115.94 2b2k n LEU 88 Ca -0.17 -1.25 -0.09 0.00 -0.03 0.00 0.00 56.01 54.47 2b2k n LEU 88 Cb 1.04 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2b2k n LEU 88 CO 0.49 0.31 -0.11 0.61 -1.33 0.00 0.00 177.39 177.36 2b2k n GLY 89 N -0.23 -0.50 3.49 -0.72 0.00 0.17 -1.01 105.19 106.39 2b2k n GLY 89 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.45 3.18 0.26 1.61 0.11 -1.07 -4.12 120.40 117.94 2b2k s VAL 90 Ca 0.01 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 2b2k s VAL 90 Cb -0.00 -2.26 -0.08 0.00 -1.53 0.00 0.00 36.38 32.50 2b2k s VAL 90 CO 0.01 0.59 0.67 -1.61 -3.33 0.00 0.00 175.10 171.43 2b2k s GLU 91 N -0.70 3.99 0.09 1.54 0.41 -1.26 -3.55 118.70 119.22 2b2k s GLU 91 Ca 0.11 0.59 -0.01 0.00 -0.41 0.00 0.00 54.97 55.25 2b2k s GLU 91 Cb -0.11 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 2b2k s GLU 91 CO 0.01 0.27 0.01 0.96 -0.49 0.00 0.00 175.26 176.02 2b2k s ILE 92 N -1.81 0.18 0.82 -1.63 -4.36 -1.26 -0.91 121.20 112.23 2b2k s ILE 92 Ca 0.49 -1.86 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 2b2k s ILE 92 Cb -0.12 -1.77 0.08 0.00 1.25 0.00 0.00 42.46 41.90 2b2k s ILE 92 CO 0.19 -0.74 1.12 0.42 0.24 0.00 0.00 174.94 176.16 2b2k s THR 93 N -3.97 2.72 -0.10 8.37 -4.23 0.70 -4.85 115.64 114.28 2b2k s THR 93 Ca 0.15 0.23 -0.34 0.00 -1.18 0.00 0.00 61.69 60.55 2b2k s THR 93 Cb 0.08 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.76 2b2k s THR 93 CO -0.04 -0.30 1.88 -2.65 -0.54 0.00 0.00 174.62 172.97 2b2k n PRO 94 N -3.45 2.13 -1.65 3.99 -0.02 -1.26 -4.61 135.00 130.12 2b2k n PRO 94 Ca 0.07 0.78 -0.46 0.00 -2.02 0.00 0.00 63.50 61.87 2b2k n PRO 94 Cb 0.58 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2b2k n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2b2k n PRO 95 N 6.65 1.88 -4.75 0.52 -0.02 -1.26 -4.84 135.00 133.18 2b2k n PRO 95 Ca 0.23 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 62.05 2b2k n PRO 95 Cb 0.29 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 2b2k n PRO 95 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2b2k s GLU 96 N 0.03 2.85 0.16 -0.52 2.12 0.15 -4.90 118.70 118.58 2b2k s GLU 96 Ca 0.73 -0.64 -0.32 0.00 0.36 0.00 0.00 54.97 55.11 2b2k s GLU 96 Cb -0.71 -2.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.04 2b2k s GLU 96 CO 0.47 0.52 1.63 0.45 -0.54 0.00 0.00 175.26 177.79 2b2k s SER 97 N -0.45 6.53 0.00 -1.70 0.15 -1.26 -1.09 113.70 115.88 2b2k s SER 97 Ca 0.06 2.67 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2b2k s SER 97 Cb -0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2b2k s SER 97 CO 0.02 -0.88 0.00 2.30 1.20 0.00 0.00 173.24 175.88 2b2k n ILE 98 N 4.10 0.00 -3.01 6.45 -6.64 -0.47 -4.90 119.36 114.89 2b2k n ILE 98 Ca 0.15 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.99 2b2k n ILE 98 Cb 0.38 -0.29 -0.03 0.00 -1.44 0.00 0.00 39.64 38.26 2b2k n ILE 98 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2b2k n TYR 99 N -1.25 -2.47 0.21 4.28 4.19 -1.03 -4.23 117.16 116.87 2b2k n TYR 99 Ca 0.00 -2.28 0.08 0.00 3.31 0.00 0.00 57.90 59.01 2b2k n TYR 99 Cb 0.20 0.91 0.44 0.00 0.49 0.00 0.00 39.34 41.38 2b2k n TYR 99 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2b2k h PRO 100 N 4.94 0.00 -0.52 2.98 0.13 -1.93 -1.68 132.00 135.92 2b2k h PRO 100 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2b2k h PRO 100 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2b2k h PRO 100 CO 0.22 0.29 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 2b2k n ASP 101 N -3.54 4.36 -4.74 1.44 5.75 -1.26 -4.40 116.55 114.16 2b2k n ASP 101 Ca -0.00 -2.51 -0.41 0.00 -0.01 0.00 0.00 54.79 51.85 2b2k n ASP 101 Cb 0.43 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.94 2.95 -0.01 2.11 5.36 -1.11 -4.90 117.98 120.43 2b2k s PHE 102 Ca 0.45 0.89 -0.08 0.00 -0.96 0.00 0.00 56.93 57.23 2b2k s PHE 102 Cb 0.30 -3.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 2b2k s PHE 102 CO 0.20 -3.07 0.16 0.50 -1.46 0.00 0.00 175.22 171.54 2b2k s ARG 103 N -0.17 0.44 0.18 10.12 3.00 -1.26 0.06 118.95 131.32 2b2k s ARG 103 Ca 0.62 -0.25 -0.23 0.00 -1.00 0.00 0.00 55.73 54.87 2b2k s ARG 103 Cb -0.44 0.19 0.06 0.00 0.00 0.00 0.00 34.95 34.75 2b2k s ARG 103 CO 0.43 -0.10 0.69 -0.59 0.00 0.00 0.00 175.30 175.73 2b2k s PHE 104 N -1.07 -0.38 -0.02 5.12 -0.12 0.19 -4.95 117.98 116.75 2b2k s PHE 104 Ca -0.12 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.86 2b2k s PHE 104 Cb -0.06 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 42.95 2b2k s PHE 104 CO 0.01 -0.95 -0.04 0.50 -0.05 0.00 0.00 175.22 174.69 2b2k s ARG 105 N -3.71 0.55 0.21 1.99 3.52 -1.26 -0.05 118.95 120.20 2b2k s ARG 105 Ca 0.06 -0.11 -0.13 0.00 -0.13 0.00 0.00 55.73 55.42 2b2k s ARG 105 Cb -0.03 -0.58 0.00 0.00 -1.56 0.00 0.00 34.95 32.78 2b2k s ARG 105 CO -0.05 0.00 0.43 0.00 -0.81 0.00 0.00 175.30 174.87 2b2k s ALA 106 N 0.46 -0.33 -0.06 6.12 0.00 -0.07 -5.00 121.76 122.88 2b2k s ALA 106 Ca -0.05 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2b2k s ALA 106 Cb -0.09 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2b2k s ALA 106 CO -0.00 -0.78 -0.15 0.99 0.00 0.00 0.00 175.76 175.82 2b2k s THR 107 N -3.97 1.29 0.67 0.00 2.01 -1.26 -1.39 115.64 112.99 2b2k s THR 107 Ca 0.18 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 2b2k s THR 107 Cb 0.00 -1.15 0.05 0.00 0.01 0.00 0.00 72.50 71.41 2b2k s THR 107 CO 0.04 0.39 0.98 1.51 -0.69 0.00 0.00 174.62 176.84 2b2k s ASP 108 N 0.46 5.04 0.58 3.53 -4.77 0.12 -4.90 116.67 116.74 2b2k s ASP 108 Ca -0.12 0.51 0.27 0.00 -3.30 0.00 0.00 52.55 49.91 2b2k s ASP 108 Cb -0.15 -1.26 1.57 0.00 -1.09 0.00 0.00 42.92 41.99 2b2k s ASP 108 CO 0.04 -1.44 2.06 -0.65 0.70 0.00 0.00 175.17 175.88 2b2k h PRO 109 N -0.46 0.00 -0.17 2.11 0.11 -2.00 0.31 132.00 131.90 2b2k h PRO 109 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2b2k h PRO 109 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2b2k h PRO 109 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 2b2k n SER 110 N -3.92 1.92 0.00 -2.05 3.41 -1.26 -4.90 113.62 106.83 2b2k n SER 110 Ca 0.03 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2b2k n SER 110 Cb 0.40 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.19 0.74 3.73 5.00 0.00 0.11 -5.05 105.19 110.90 2b2k n GLY 111 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.41 4.04 -0.10 -0.61 -1.09 -1.26 -4.06 121.20 115.70 2b2k s ILE 112 Ca 0.00 1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 60.00 2b2k s ILE 112 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2b2k s ILE 112 CO 0.00 0.21 0.05 -0.69 -1.23 0.00 0.00 174.94 173.28 2b2k s VAL 113 N 0.34 4.75 -0.05 2.92 1.01 -0.08 0.15 120.40 129.43 2b2k s VAL 113 Ca 0.53 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2b2k s VAL 113 Cb -0.28 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2b2k s VAL 113 CO 0.32 0.60 -0.05 -1.61 0.00 0.00 0.00 175.10 174.37 2b2k s GLU 114 N -0.84 2.76 -0.31 2.72 0.41 -0.48 -4.42 118.70 118.54 2b2k s GLU 114 Ca 0.13 -0.56 -0.01 0.00 -0.41 0.00 0.00 54.97 54.12 2b2k s GLU 114 Cb -0.12 -2.62 0.13 0.00 -1.78 0.00 0.00 34.13 29.74 2b2k s GLU 114 CO 0.03 0.66 0.26 1.21 -0.49 0.00 0.00 175.26 176.92 2b2k s ASN 115 N -1.03 2.18 0.00 -0.19 2.47 -1.26 -0.89 114.94 116.23 2b2k s ASN 115 Ca 0.14 -1.16 -0.00 0.00 0.42 0.00 0.00 52.86 52.26 2b2k s ASN 115 Cb -0.11 0.22 -0.00 0.00 -1.45 0.00 0.00 41.25 39.90 2b2k s ASN 115 CO 0.04 -0.37 0.00 -1.61 -3.72 0.00 0.00 177.10 171.44 2b2k s GLU 116 N 2.02 0.11 -0.28 0.43 2.02 0.92 -1.47 118.70 122.44 2b2k s GLU 116 Ca 0.11 -0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.68 2b2k s GLU 116 Cb -0.16 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.12 2b2k s GLU 116 CO -0.26 -0.02 0.87 0.08 0.02 0.00 0.00 175.26 175.96 2b2k s VAL 117 N -0.43 4.75 -0.41 2.63 1.01 -0.45 -0.64 120.40 126.86 2b2k s VAL 117 Ca -0.05 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.46 2b2k s VAL 117 Cb -0.03 -4.20 0.20 0.00 0.00 0.00 0.00 36.38 32.35 2b2k s VAL 117 CO -0.00 -0.23 0.43 0.00 0.00 0.00 0.00 175.10 175.29 2b2k n PRO 119 N 2.31 1.75 -4.50 0.00 -0.04 -1.24 -4.42 135.00 128.86 2b2k n PRO 119 Ca 0.26 0.62 -0.34 0.00 -0.04 0.00 0.00 63.50 64.00 2b2k n PRO 119 Cb 0.50 -2.15 -0.11 0.00 -0.04 0.00 0.00 33.50 31.70 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 -1.13 3.94 0.36 0.52 1.01 -0.65 -2.08 120.40 122.37 2b2k s VAL 120 Ca 0.58 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2b2k s VAL 120 Cb -0.59 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2b2k s VAL 120 CO 0.60 0.58 0.09 -0.36 0.00 0.00 0.00 175.10 176.01 2b2k s PHE 121 N -0.60 1.85 0.02 5.22 0.40 0.63 -1.37 117.98 124.13 2b2k s PHE 121 Ca 0.09 -1.12 -0.04 0.00 -0.60 0.00 0.00 56.93 55.26 2b2k s PHE 121 Cb -0.12 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.19 2b2k s PHE 121 CO 0.02 -0.15 0.07 0.00 0.70 0.00 0.00 175.22 175.86 2b2k s ALA 122 N -3.28 -0.07 0.25 5.36 0.00 -0.25 -1.49 121.76 122.28 2b2k s ALA 122 Ca 0.30 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 2b2k s ALA 122 Cb 0.06 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2b2k s ALA 122 CO 0.14 -0.25 0.69 0.00 0.00 0.00 0.00 175.76 176.35 2b2k s ALA 123 N -2.00 -1.30 -0.04 0.00 0.00 -0.95 0.30 121.76 117.76 2b2k s ALA 123 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2b2k s ALA 123 Cb -0.05 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2b2k s ALA 123 CO -0.02 -0.98 -0.02 1.03 0.00 0.00 0.00 175.76 175.77 2b2k s ARG 124 N -3.88 2.82 0.44 0.00 0.52 -1.26 -1.83 118.95 115.76 2b2k s ARG 124 Ca 0.09 -0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2b2k s ARG 124 Cb -0.05 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 2b2k s ARG 124 CO 0.02 0.66 1.03 0.95 0.02 0.00 0.00 175.30 177.99 2b2k s THR 125 N -0.95 3.83 0.00 0.02 -4.23 -0.57 -0.21 115.64 113.52 2b2k s THR 125 Ca 0.16 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 2b2k s THR 125 Cb -0.11 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2b2k s THR 125 CO 0.05 -0.13 0.56 0.35 -0.54 0.00 0.00 174.62 174.91 2b2k n THR 126 N -0.51 0.25 -4.19 3.99 -2.24 -0.08 -4.51 114.28 106.99 2b2k n THR 126 Ca 0.07 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2b2k n THR 126 Cb 0.51 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.25 0.39 0.69 3.42 1.04 -1.23 -4.93 113.70 112.83 2b2k s SER 127 Ca 0.00 -1.40 -0.12 0.00 0.48 0.00 0.00 55.95 54.90 2b2k s SER 127 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2b2k s SER 127 CO 0.00 -0.92 1.08 0.00 0.98 0.00 0.00 173.24 174.37 2b2k s ALA 128 N -3.99 2.53 0.50 5.32 0.00 -1.26 -4.71 121.76 120.14 2b2k s ALA 128 Ca 0.37 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 2b2k s ALA 128 Cb 0.05 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2b2k s ALA 128 CO 0.14 -1.31 1.01 -0.51 0.00 0.00 0.00 175.76 175.09 2b2k s LEU 129 N -5.34 3.76 -0.26 0.00 1.43 -1.26 -4.49 118.68 112.51 2b2k s LEU 129 Ca 0.61 1.78 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2b2k s LEU 129 Cb -0.16 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.60 2b2k s LEU 129 CO 0.50 -0.70 0.08 -1.58 0.23 0.00 0.00 176.35 174.87 2b2k s GLN 130 N -3.53 0.64 0.16 1.70 0.74 -0.18 -5.00 119.66 114.18 2b2k s GLN 130 Ca 0.64 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 2b2k s GLN 130 Cb -0.13 -1.93 -0.07 0.00 1.10 0.00 0.00 33.01 31.98 2b2k s GLN 130 CO 0.23 -0.86 1.04 0.42 -0.55 0.00 0.00 175.29 175.58 2b2k s ILE 131 N 1.77 4.08 -0.55 -2.34 -1.09 -1.26 -2.22 121.20 119.59 2b2k s ILE 131 Ca 0.05 1.79 -0.18 0.00 -2.23 0.00 0.00 60.65 60.09 2b2k s ILE 131 Cb -0.17 -4.14 0.10 0.00 -1.58 0.00 0.00 42.46 36.66 2b2k s ILE 131 CO -0.20 0.31 0.60 0.21 -1.23 0.00 0.00 174.94 174.63 2b2k s ASN 132 N -0.15 6.19 0.00 3.58 3.84 -0.95 -4.96 114.94 122.49 2b2k s ASN 132 Ca 0.48 -1.39 0.26 0.00 0.21 0.00 0.00 52.86 52.42 2b2k s ASN 132 Cb -0.27 -2.26 1.44 0.00 -0.55 0.00 0.00 41.25 39.61 2b2k s ASN 132 CO 0.33 -0.95 1.88 -0.90 -2.79 0.00 0.00 177.10 174.67 2b2k n ASP 133 N 5.92 0.00 0.13 -4.21 5.75 -1.26 -1.14 116.55 121.73 2b2k n ASP 133 Ca -0.10 -0.53 0.13 0.00 -0.01 0.00 0.00 54.79 54.27 2b2k n ASP 133 Cb 0.43 -0.11 0.46 0.00 -1.03 0.00 0.00 41.12 40.87 2b2k n ASP 133 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2b2k n ASP 134 N -1.11 0.76 -0.02 -1.12 8.00 -1.26 -4.29 116.55 117.52 2b2k n ASP 134 Ca 0.17 0.64 -0.03 0.00 0.71 0.00 0.00 54.79 56.28 2b2k n ASP 134 Cb 0.13 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.29 0.08 -4.82 -1.24 -0.58 -0.29 -4.70 120.64 106.79 2b2k n GLU 135 Ca 0.03 0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.47 2b2k n GLU 135 Cb 0.31 -0.96 -0.16 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.07 2.21 -0.46 2.62 1.01 -0.49 -0.39 120.40 122.83 2b2k s VAL 136 Ca -0.05 -0.94 0.19 0.00 0.00 0.00 0.00 61.98 61.18 2b2k s VAL 136 Cb 0.01 -1.88 -0.25 0.00 0.00 0.00 0.00 36.38 34.27 2b2k s VAL 136 CO 0.07 0.55 0.61 1.15 0.00 0.00 0.00 175.10 177.48 2b2k n MET 137 N 3.87 0.73 -3.66 2.72 0.00 -0.35 -4.17 117.12 116.26 2b2k n MET 137 Ca -0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 57.70 57.36 2b2k n MET 137 Cb 0.52 -1.41 -0.02 0.00 0.00 0.00 0.00 33.22 32.31 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 -3.46 -0.28 0.10 3.17 -1.08 -1.21 -5.00 116.67 108.91 2b2k s ASP 138 Ca 0.00 -0.27 -0.27 0.00 -0.52 0.00 0.00 52.55 51.50 2b2k s ASP 138 Cb 0.13 0.49 0.08 0.00 -1.46 0.00 0.00 42.92 42.16 2b2k s ASP 138 CO 0.78 -0.87 1.00 -0.72 0.52 0.00 0.00 175.17 175.88 2b2k s TYR 139 N -3.34 -0.15 -0.21 -5.34 -0.85 -1.26 0.08 117.35 106.27 2b2k s TYR 139 Ca 0.09 -0.09 -0.10 0.00 -0.52 0.00 0.00 57.07 56.45 2b2k s TYR 139 Cb -0.02 0.61 0.08 0.00 0.38 0.00 0.00 41.96 43.01 2b2k s TYR 139 CO -0.02 -0.69 0.48 -1.14 -1.52 0.00 0.00 175.55 172.66 2b2k s GLN 140 N -3.12 0.44 -0.15 -3.49 2.00 -0.36 -4.99 119.66 110.00 2b2k s GLN 140 Ca 0.11 1.01 -0.26 0.00 -2.00 0.00 0.00 55.36 54.23 2b2k s GLN 140 Cb -0.00 0.22 -0.02 0.00 0.80 0.00 0.00 33.01 34.00 2b2k s GLN 140 CO -0.01 -0.19 0.84 -1.58 -0.50 0.00 0.00 175.29 173.85 2b2k s TRP 141 N 2.01 3.45 0.28 1.67 0.52 -1.26 -1.33 118.94 124.28 2b2k s TRP 141 Ca -0.07 1.30 -0.07 0.00 0.02 0.00 0.00 56.10 57.28 2b2k s TRP 141 Cb -0.09 -3.01 -0.00 0.00 -1.15 0.00 0.00 33.47 29.21 2b2k s TRP 141 CO -0.15 -0.20 0.44 0.00 0.02 0.00 0.00 176.95 177.06 2b2k s ASP 143 N -3.13 7.25 0.23 0.00 1.01 -1.26 -0.24 116.67 120.52 2b2k s ASP 143 Ca 0.28 1.52 -0.12 0.00 0.71 0.00 0.00 52.55 54.94 2b2k s ASP 143 Cb 0.00 -2.54 0.30 0.00 1.01 0.00 0.00 42.92 41.69 2b2k s ASP 143 CO 0.14 -0.32 1.62 0.25 0.21 0.00 0.00 175.17 177.07 2b2k h LEU 144 N 7.35 -0.60 -0.74 1.23 5.85 -1.91 -0.64 115.31 125.85 2b2k h LEU 144 Ca -0.36 0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2b2k h LEU 144 Cb 1.18 0.42 -0.09 0.00 0.37 0.00 0.00 40.66 42.54 2b2k h LEU 144 CO 0.79 -0.22 0.30 0.00 -0.34 0.00 0.00 178.44 178.97 2b2k h ALA 145 N 1.70 1.03 -0.45 1.25 0.00 -1.98 0.27 119.26 121.07 2b2k h ALA 145 Ca 0.34 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2b2k h ALA 145 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2b2k h ALA 145 CO -0.71 -0.20 0.01 -0.44 0.00 0.00 0.00 179.25 177.91 2b2k h ASP 146 N 0.45 0.78 -0.92 0.00 3.32 -1.54 -1.26 116.42 117.24 2b2k h ASP 146 Ca 0.40 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2b2k h ASP 146 Cb 0.58 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 2b2k h ASP 146 CO -0.39 0.89 0.60 0.58 -1.72 0.00 0.00 179.24 179.21 2b2k h VAL 147 N 0.64 1.15 -0.50 -1.35 2.07 -0.29 0.60 116.25 118.58 2b2k h VAL 147 Ca 0.13 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2b2k h VAL 147 Cb 0.49 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2b2k h VAL 147 CO 0.02 0.21 -0.07 -0.07 0.02 0.00 0.00 177.57 177.69 2b2k h LEU 148 N 1.16 0.88 -0.49 2.57 3.38 -0.32 0.10 115.31 122.59 2b2k h LEU 148 Ca 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2b2k h LEU 148 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2b2k h LEU 148 CO -0.12 0.98 0.25 0.45 0.09 0.00 0.00 178.44 180.08 2b2k h HIS 149 N 0.81 0.70 -0.09 1.13 3.86 0.02 0.23 115.15 121.82 2b2k h HIS 149 Ca 0.14 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2b2k h HIS 149 Cb 0.58 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 2b2k h HIS 149 CO 0.03 0.54 -0.10 0.78 0.86 0.00 0.00 177.93 180.05 2b2k h GLY 150 N 0.65 -0.03 1.11 2.45 0.00 -0.48 0.15 103.07 106.92 2b2k h GLY 150 Ca 0.17 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.62 2b2k h GLY 150 CO -0.02 -0.11 0.60 -2.22 0.00 0.00 0.00 176.54 174.79 2b2k h ILE 151 N -0.12 1.23 -0.07 2.60 2.04 -0.39 0.22 117.51 123.03 2b2k h ILE 151 Ca 0.07 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 2b2k h ILE 151 Cb 0.22 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2b2k h ILE 151 CO -0.16 0.23 -0.53 0.44 0.00 0.00 0.00 178.15 178.12 2b2k h ASP 152 N 1.22 0.20 0.06 1.72 3.32 0.13 -3.03 116.42 120.05 2b2k h ASP 152 Ca 0.33 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 57.06 2b2k h ASP 152 Cb -0.14 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2b2k h ASP 152 CO -0.07 0.70 -1.12 0.00 -1.72 0.00 0.00 179.24 177.03 2b2k h ALA 153 N 1.31 0.17 -2.19 3.45 0.00 -0.00 -3.43 119.26 118.57 2b2k h ALA 153 Ca 0.00 -1.02 -0.58 0.00 0.00 0.00 0.00 54.91 53.31 2b2k h ALA 153 Cb 0.99 0.47 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 2b2k h ALA 153 CO 0.08 0.64 -0.93 0.25 0.00 0.00 0.00 179.25 179.29 2b2k n THR 154 N -4.20 0.06 0.03 0.00 -2.24 0.71 -4.96 114.28 103.67 2b2k n THR 154 Ca -0.24 -4.23 0.08 0.00 -2.27 0.00 0.00 64.05 57.38 2b2k n THR 154 Cb 0.76 -1.95 0.50 0.00 -2.10 0.00 0.00 70.33 67.54 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 4.45 0.37 0.00 -0.78 0.13 -1.68 -1.33 132.00 133.16 2b2k h PRO 155 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2b2k h PRO 155 Cb 0.83 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2b2k h PRO 155 CO 0.55 0.25 0.00 0.11 -0.23 0.00 0.00 178.00 178.67 2b2k h TRP 156 N 0.39 0.00 -0.00 1.56 5.08 -1.93 -1.76 115.95 119.29 2b2k h TRP 156 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 2b2k h TRP 156 Cb 0.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2b2k h TRP 156 CO -0.00 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 177.14 2b2k n ALA 157 N -1.81 2.45 -2.41 0.11 0.00 -0.50 -4.86 120.51 113.49 2b2k n ALA 157 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 2b2k n ALA 157 Cb 0.04 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.82 1.96 0.65 0.00 0.08 -0.66 -4.35 117.98 112.84 2b2k s PHE 158 Ca 0.20 -0.56 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 2b2k s PHE 158 Cb 0.19 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2b2k s PHE 158 CO 0.51 0.43 1.29 -1.54 -0.10 0.00 0.00 175.22 175.81 2b2k s SER 159 N -3.42 4.59 0.33 1.36 1.04 -0.19 -4.86 113.70 112.56 2b2k s SER 159 Ca 0.27 2.62 0.02 0.00 0.48 0.00 0.00 55.95 59.35 2b2k s SER 159 Cb 0.00 -2.62 0.57 0.00 0.10 0.00 0.00 66.02 64.07 2b2k s SER 159 CO 0.11 -2.01 1.90 1.55 0.98 0.00 0.00 173.24 175.77 2b2k h PRO 160 N 0.54 0.69 0.00 4.02 0.13 -1.92 -2.47 132.00 133.00 2b2k h PRO 160 Ca -0.51 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 2b2k h PRO 160 Cb 1.34 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2b2k h PRO 160 CO 0.53 0.60 -0.73 0.11 -0.23 0.00 0.00 178.00 178.28 2b2k h TRP 161 N 0.68 0.00 -0.09 1.56 0.09 -1.99 -2.02 115.95 114.18 2b2k h TRP 161 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.14 2b2k h TRP 161 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.42 2b2k h TRP 161 CO 0.01 0.73 0.05 1.98 0.09 0.00 0.00 178.44 181.30 2b2k h MET 162 N 0.00 0.10 0.14 0.12 4.05 -1.82 -0.69 114.93 116.83 2b2k h MET 162 Ca -0.01 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2b2k h MET 162 Cb 1.46 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.22 2b2k h MET 162 CO 0.09 0.07 -0.15 0.28 0.23 0.00 0.00 176.91 177.43 2b2k h VAL 163 N 0.11 0.65 -0.76 -5.77 2.07 -1.34 -1.17 116.25 110.04 2b2k h VAL 163 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 2b2k h VAL 163 Cb -0.00 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 2b2k h VAL 163 CO -0.02 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.17 2b2k h MET 164 N -0.33 0.55 -0.08 1.57 2.86 -1.28 -1.06 114.93 117.16 2b2k h MET 164 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2b2k h MET 164 Cb 0.32 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2b2k h MET 164 CO -0.05 0.36 -0.02 1.96 1.06 0.00 0.00 176.91 180.22 2b2k h GLN 165 N 0.56 0.15 0.00 1.72 4.20 -0.62 -2.80 115.11 118.33 2b2k h GLN 165 Ca 0.40 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2b2k h GLN 165 Cb 0.51 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2b2k h GLN 165 CO -0.33 0.49 -0.02 0.00 -0.67 0.00 0.00 178.83 178.30 2b2k h ALA 166 N 0.66 1.04 -0.65 3.87 0.00 -0.91 -1.26 119.26 122.01 2b2k h ALA 166 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b2k h ALA 166 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2b2k h ALA 166 CO 0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.54 2b2k n THR 167 N -3.17 0.89 -2.51 0.00 -2.24 -0.43 -4.47 114.28 102.35 2b2k n THR 167 Ca -0.01 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.40 2b2k n THR 167 Cb 0.22 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.11 6.85 0.17 3.42 3.84 -0.48 -4.93 114.94 122.71 2b2k s ASN 168 Ca 0.46 1.30 -0.25 0.00 0.21 0.00 0.00 52.86 54.58 2b2k s ASN 168 Cb 0.25 -2.54 0.05 0.00 -0.55 0.00 0.00 41.25 38.45 2b2k s ASN 168 CO 0.32 -0.91 1.57 -0.09 -2.79 0.00 0.00 177.10 175.20 2b2k h ARG 169 N 8.51 -0.20 0.04 0.43 2.43 -1.87 0.14 114.38 123.86 2b2k h ARG 169 Ca -0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2b2k h ARG 169 Cb 1.08 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2b2k h ARG 169 CO 1.01 -0.13 -0.02 0.93 -1.51 0.00 0.00 179.97 180.25 2b2k h GLU 170 N -0.20 -0.05 -0.41 0.20 3.07 -1.95 -2.52 114.58 112.72 2b2k h GLU 170 Ca 0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2b2k h GLU 170 Cb 0.56 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 2b2k h GLU 170 CO -0.71 0.03 0.22 0.00 -1.40 0.00 0.00 179.01 177.15 2b2k h ALA 171 N 0.85 1.63 -0.65 3.43 0.00 -1.48 -1.39 119.26 121.65 2b2k h ALA 171 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2b2k h ALA 171 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2b2k h ALA 171 CO 0.01 0.31 0.08 -0.09 0.00 0.00 0.00 179.25 179.56 2b2k h ARG 172 N 0.56 1.09 -0.59 0.00 2.43 -0.58 -0.85 114.38 116.45 2b2k h ARG 172 Ca 0.15 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2b2k h ARG 172 Cb 0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2b2k h ARG 172 CO -0.02 1.02 0.20 -0.22 -1.51 0.00 0.00 179.97 179.43 2b2k h LYS 173 N 1.01 0.88 -0.00 0.20 3.11 -0.92 -1.17 116.57 119.67 2b2k h LYS 173 Ca 0.19 -0.16 -0.23 0.00 -2.81 0.00 0.00 60.65 57.65 2b2k h LYS 173 Cb 0.47 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2b2k h LYS 173 CO 0.02 0.75 -0.95 0.00 -2.81 0.00 0.00 179.45 176.46 2b2k h ARG 174 N 0.86 0.47 -0.61 1.90 3.08 -0.70 -3.09 114.38 116.29 2b2k h ARG 174 Ca 0.20 -0.50 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 2b2k h ARG 174 Cb 0.23 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2b2k h ARG 174 CO -0.01 1.14 0.18 -0.07 -1.07 0.00 0.00 179.97 180.14 2b2k h LEU 175 N 0.27 0.89 -1.05 3.04 3.38 -1.10 -2.94 115.31 117.79 2b2k h LEU 175 Ca -0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2b2k h LEU 175 Cb 1.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2b2k h LEU 175 CO 0.17 0.86 0.01 -1.20 0.09 0.00 0.00 178.44 178.37 2b2k n SER 176 N -4.39 0.41 0.03 -0.43 7.64 -0.45 -1.05 113.62 115.37 2b2k n SER 176 Ca 0.03 0.69 0.12 0.00 1.01 0.00 0.00 58.87 60.72 2b2k n SER 176 Cb 0.21 -0.74 0.23 0.00 -1.01 0.00 0.00 64.21 62.90 2b2k n SER 176 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b2k n ALA 177 N -1.70 3.19 1.58 -0.43 0.00 -1.11 -3.92 120.51 118.13 2b2k n ALA 177 Ca -0.01 -0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.28 2b2k n ALA 177 Cb 0.03 -1.16 0.79 0.00 0.00 0.00 0.00 19.45 19.11 2b2k n ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2b2k n PHE 178 N -1.79 0.00 0.74 0.00 3.01 -0.22 -5.15 117.46 114.05 2b2k n PHE 178 Ca 0.04 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.59 2b2k n PHE 178 Cb 0.38 -0.14 0.07 0.00 -0.01 0.00 0.00 39.48 39.79 2b2k n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02