#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8k n THR 3 N 0.00 0.00 -1.07 12.58 -1.04 -1.26 -4.83 114.28 118.66 2b8k n THR 3 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2b8k n THR 3 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2b8k n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2b8k n PHE 4 N 0.01 -3.79 -3.68 -1.42 1.16 -1.26 -5.07 117.46 103.41 2b8k n PHE 4 Ca 0.00 -0.29 -0.13 0.00 -1.87 0.00 0.00 57.45 55.16 2b8k n PHE 4 Cb 0.00 -0.27 -0.07 0.00 -1.61 0.00 0.00 39.48 37.53 2b8k n PHE 4 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2b8k s ARG 5 N -3.72 0.87 0.44 3.97 3.52 -1.26 -5.17 118.95 117.59 2b8k s ARG 5 Ca 0.19 -0.27 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 2b8k s ARG 5 Cb -0.01 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 2b8k s ARG 5 CO 0.14 -0.28 0.50 -0.06 -0.81 0.00 0.00 175.30 174.78 2b8k s PHE 6 N -2.08 2.59 0.64 5.12 2.99 -1.26 -4.00 117.98 121.98 2b8k s PHE 6 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 56.93 56.38 2b8k s PHE 6 Cb -0.02 -2.25 0.09 0.00 0.00 0.00 0.00 43.02 40.84 2b8k s PHE 6 CO 0.00 -0.35 0.88 0.00 -0.00 0.00 0.00 175.22 175.76 2b8k n ARG 8 N -2.57 0.38 0.00 0.00 1.85 -1.26 -3.50 116.66 111.55 2b8k n ARG 8 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2b8k n ARG 8 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2b8k n ARG 8 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2b8k n ASP 9 N -2.75 0.00 -0.31 2.89 5.75 -1.26 -2.09 116.55 118.78 2b8k n ASP 9 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 2b8k n ASP 9 Cb 0.00 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 40.64 2b8k n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b8k n ASN 11 N -0.34 -3.09 0.00 0.00 5.15 -0.89 -4.97 115.26 111.12 2b8k n ASN 11 Ca 0.17 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 2b8k n ASN 11 Cb 0.31 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 2b8k n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2b8k n ASN 12 N -1.32 0.00 -4.97 1.20 5.03 -1.26 -4.88 115.26 109.06 2b8k n ASN 12 Ca -0.19 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.04 2b8k n ASN 12 Cb 0.45 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.20 2b8k n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2b8k s MET 13 N 4.55 3.32 -0.25 3.52 -2.45 -1.26 -4.00 119.30 122.73 2b8k s MET 13 Ca 0.00 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.75 2b8k s MET 13 Cb 0.00 -2.78 0.07 0.00 1.25 0.00 0.00 34.83 33.37 2b8k s MET 13 CO 0.00 0.19 -0.03 -0.51 1.05 0.00 0.00 175.02 175.72 2b8k s LEU 14 N -4.17 2.77 0.04 4.11 1.43 -1.25 -4.42 118.68 117.19 2b8k s LEU 14 Ca 0.40 -1.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 2b8k s LEU 14 Cb -0.09 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 2b8k s LEU 14 CO 0.32 -0.27 0.49 -0.31 0.23 0.00 0.00 176.35 176.81 2b8k s TYR 15 N 1.36 3.76 0.16 0.29 1.51 -0.81 -4.66 117.35 118.97 2b8k s TYR 15 Ca -0.03 1.12 -0.15 0.00 -1.01 0.00 0.00 57.07 57.01 2b8k s TYR 15 Cb -0.19 -2.39 -0.07 0.00 -0.11 0.00 0.00 41.96 39.21 2b8k s TYR 15 CO -0.08 0.61 0.57 -1.25 -1.11 0.00 0.00 175.55 174.30 2b8k s PRO 16 N -1.13 4.00 0.04 -1.71 0.04 -1.26 -1.26 135.00 133.71 2b8k s PRO 16 Ca 0.27 0.53 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 2b8k s PRO 16 Cb -0.18 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2b8k s PRO 16 CO 0.16 0.45 -0.02 1.03 0.04 0.00 0.00 177.00 178.66 2b8k s ARG 17 N -2.04 0.46 0.05 4.56 0.52 -0.87 -4.99 118.95 116.64 2b8k s ARG 17 Ca 0.39 -0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2b8k s ARG 17 Cb -0.15 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 2b8k s ARG 17 CO 0.19 -0.08 0.26 -2.00 0.02 0.00 0.00 175.30 173.69 2b8k s GLU 18 N -2.67 3.52 -0.75 3.54 2.12 -1.26 -2.70 118.70 120.50 2b8k s GLU 18 Ca -0.05 -0.23 -0.15 0.00 0.36 0.00 0.00 54.97 54.90 2b8k s GLU 18 Cb -0.01 -3.02 0.19 0.00 0.26 0.00 0.00 34.13 31.55 2b8k s GLU 18 CO -0.05 0.60 0.70 0.34 -0.54 0.00 0.00 175.26 176.31 2b8k s ASP 19 N -2.14 6.59 0.17 -1.70 -1.08 -0.95 -4.94 116.67 112.62 2b8k s ASP 19 Ca 0.32 -2.40 -0.15 0.00 -0.52 0.00 0.00 52.55 49.80 2b8k s ASP 19 Cb -0.13 -2.22 0.12 0.00 -1.46 0.00 0.00 42.92 39.24 2b8k s ASP 19 CO 0.22 -0.67 1.73 0.11 0.52 0.00 0.00 175.17 177.07 2b8k h LYS 20 N 8.14 0.23 -0.10 4.34 1.57 -1.97 -0.93 116.57 127.85 2b8k h LYS 20 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2b8k h LYS 20 Cb 1.06 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 2b8k h LYS 20 CO 0.85 0.15 0.03 1.49 -0.57 0.00 0.00 179.45 181.39 2b8k h GLU 21 N 0.23 0.16 -0.01 3.15 4.81 -1.99 -3.29 114.58 117.64 2b8k h GLU 21 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2b8k h GLU 21 Cb 0.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2b8k h GLU 21 CO -0.25 0.32 -0.12 0.09 -0.73 0.00 0.00 179.01 178.32 2b8k n ASN 22 N -4.88 1.60 -2.93 1.04 3.02 -1.19 -5.02 115.26 106.90 2b8k n ASN 22 Ca -0.06 -1.38 -0.03 0.00 -0.03 0.00 0.00 54.58 53.08 2b8k n ASN 22 Cb 0.14 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2b8k n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2b8k n ASN 23 N 0.06 -7.66 -3.54 6.41 4.13 -0.36 -5.05 115.26 109.26 2b8k n ASN 23 Ca 0.15 0.14 -0.08 0.00 1.68 0.00 0.00 54.58 56.48 2b8k n ASN 23 Cb 0.40 -5.19 -0.02 0.00 -1.54 0.00 0.00 39.78 33.42 2b8k n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2b8k s ARG 24 N -2.84 0.85 -0.07 3.52 1.70 -1.22 -5.03 118.95 115.86 2b8k s ARG 24 Ca 0.09 -0.34 -0.09 0.00 -0.47 0.00 0.00 55.73 54.91 2b8k s ARG 24 Cb -0.02 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 2b8k s ARG 24 CO 0.73 -0.38 0.23 -1.17 -1.08 0.00 0.00 175.30 173.64 2b8k s LEU 25 N -2.54 4.42 0.12 -1.89 2.96 -1.26 -2.25 118.68 118.24 2b8k s LEU 25 Ca 0.06 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2b8k s LEU 25 Cb -0.01 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2b8k s LEU 25 CO -0.08 0.37 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.53 2b8k s LEU 26 N -1.08 2.34 0.50 -0.68 1.43 -1.10 0.30 118.68 120.38 2b8k s LEU 26 Ca 0.18 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2b8k s LEU 26 Cb -0.14 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 2b8k s LEU 26 CO 0.08 -0.52 0.03 -0.36 0.23 0.00 0.00 176.35 175.81 2b8k s PHE 27 N -3.67 1.83 0.06 0.29 2.99 -0.02 -2.05 117.98 117.41 2b8k s PHE 27 Ca 0.16 -1.03 -0.26 0.00 0.00 0.00 0.00 56.93 55.80 2b8k s PHE 27 Cb 0.06 -1.52 0.09 0.00 0.00 0.00 0.00 43.02 41.65 2b8k s PHE 27 CO -0.02 0.12 1.19 -1.83 -0.00 0.00 0.00 175.22 174.68 2b8k s GLU 28 N -3.85 0.74 0.01 0.44 -1.05 -0.39 -2.52 118.70 112.08 2b8k s GLU 28 Ca 0.08 -0.48 0.05 0.00 -0.15 0.00 0.00 54.97 54.47 2b8k s GLU 28 Cb 0.01 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2b8k s GLU 28 CO 0.05 -0.35 -0.12 0.00 0.95 0.00 0.00 175.26 175.79 2b8k n ARG 30 N 1.68 2.36 0.04 0.00 1.74 -1.26 -4.52 116.66 116.70 2b8k n ARG 30 Ca -0.16 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 2b8k n ARG 30 Cb 0.52 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2b8k n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2b8k n THR 31 N -0.89 0.51 0.00 0.55 -1.04 -1.26 -5.08 114.28 107.07 2b8k n THR 31 Ca 0.38 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 2b8k n THR 31 Cb 1.19 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2b8k n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8k n SER 33 N 0.00 0.08 -4.18 0.00 7.64 -1.26 -4.87 113.62 111.03 2b8k n SER 33 Ca 0.00 -1.03 -0.35 0.00 1.01 0.00 0.00 58.87 58.51 2b8k n SER 33 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2b8k n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8k n TYR 34 N -0.01 -3.61 -3.63 1.43 -0.00 -1.26 -4.83 117.16 105.25 2b8k n TYR 34 Ca 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 57.90 57.94 2b8k n TYR 34 Cb 0.38 -1.58 -0.06 0.00 -0.00 0.00 0.00 39.34 38.07 2b8k n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2b8k s VAL 35 N -2.17 -0.16 0.04 2.97 1.01 -1.26 -3.40 120.40 117.43 2b8k s VAL 35 Ca 0.47 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2b8k s VAL 35 Cb -0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2b8k s VAL 35 CO 0.76 0.00 -0.15 -1.83 0.00 0.00 0.00 175.10 173.89 2b8k s GLU 36 N 1.76 0.99 1.02 2.72 -1.05 -1.05 -4.95 118.70 118.14 2b8k s GLU 36 Ca -0.09 -0.77 -0.15 0.00 -0.15 0.00 0.00 54.97 53.82 2b8k s GLU 36 Cb -0.05 -1.01 0.08 0.00 -0.44 0.00 0.00 34.13 32.70 2b8k s GLU 36 CO -0.18 0.25 0.31 -0.85 0.95 0.00 0.00 175.26 175.74 2b8k n GLU 37 N 1.93 -0.87 -1.87 -4.83 0.28 -1.26 -0.84 120.64 113.18 2b8k n GLU 37 Ca -0.18 -0.22 -0.35 0.00 -0.16 0.00 0.00 57.16 56.25 2b8k n GLU 37 Cb 0.55 -1.83 0.05 0.00 1.43 0.00 0.00 31.44 31.63 2b8k n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2b8k s ALA 38 N -2.35 2.45 0.00 -1.84 0.00 0.15 -4.56 121.76 115.61 2b8k s ALA 38 Ca 0.57 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2b8k s ALA 38 Cb -0.18 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2b8k s ALA 38 CO 0.67 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2b8k n GLY 39 N 0.28 0.98 3.92 0.00 0.00 -1.26 -4.98 105.19 104.13 2b8k n GLY 39 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2b8k n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b8k s SER 40 N -1.00 6.12 0.00 1.61 1.04 -1.26 -4.96 113.70 115.25 2b8k s SER 40 Ca 0.00 0.74 0.21 0.00 0.48 0.00 0.00 55.95 57.37 2b8k s SER 40 Cb 0.00 -2.05 1.20 0.00 0.10 0.00 0.00 66.02 65.28 2b8k s SER 40 CO 0.00 -0.62 1.62 -0.81 0.98 0.00 0.00 173.24 174.41 2b8k n PRO 41 N -2.21 0.59 -2.93 4.02 -0.04 -1.26 -4.69 135.00 128.49 2b8k n PRO 41 Ca 0.00 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2b8k n PRO 41 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2b8k n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2b8k s LEU 42 N -2.09 4.32 -0.10 1.53 2.96 -1.26 -4.91 118.68 119.12 2b8k s LEU 42 Ca 0.29 -0.43 0.16 0.00 -0.22 0.00 0.00 54.13 53.92 2b8k s LEU 42 Cb 0.14 -2.77 -0.23 0.00 0.50 0.00 0.00 46.19 43.83 2b8k s LEU 42 CO 0.25 -1.10 0.42 0.52 -1.32 0.00 0.00 176.35 175.12 2b8k n VAL 43 N 6.06 1.43 -3.71 1.68 0.31 -1.26 -4.79 118.33 118.05 2b8k n VAL 43 Ca 0.00 -0.81 -0.13 0.00 -0.01 0.00 0.00 64.34 63.40 2b8k n VAL 43 Cb 0.47 -0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 32.59 2b8k n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2b8k s TYR 44 N -2.61 -0.21 -0.16 3.52 5.04 -1.26 -4.99 117.35 116.69 2b8k s TYR 44 Ca -0.07 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.66 2b8k s TYR 44 Cb 0.07 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.59 2b8k s TYR 44 CO 0.83 -0.50 0.39 0.50 -1.34 0.00 0.00 175.55 175.43 2b8k s ARG 45 N -2.12 0.38 -0.23 4.97 3.52 -1.26 -5.00 118.95 119.21 2b8k s ARG 45 Ca -0.08 0.72 -0.16 0.00 -0.13 0.00 0.00 55.73 56.08 2b8k s ARG 45 Cb -0.02 0.00 -0.12 0.00 -1.56 0.00 0.00 34.95 33.25 2b8k s ARG 45 CO -0.00 -0.14 -0.17 1.58 -0.81 0.00 0.00 175.30 175.76 2b8k n HIS 46 N 4.03 0.41 -2.72 5.12 -0.00 -1.26 -5.06 115.22 115.74 2b8k n HIS 46 Ca -0.22 0.18 -0.03 0.00 -0.00 0.00 0.00 57.72 57.65 2b8k n HIS 46 Cb 0.55 -0.93 -0.02 0.00 -0.00 0.00 0.00 29.99 29.59 2b8k n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2b8k n GLU 47 N -4.37 -3.71 -0.08 1.57 2.13 -1.26 -4.99 120.64 109.92 2b8k n GLU 47 Ca -0.37 2.91 -0.14 0.00 0.66 0.00 0.00 57.16 60.22 2b8k n GLU 47 Cb 0.71 -4.74 -0.09 0.00 0.27 0.00 0.00 31.44 27.58 2b8k n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2b8k h LEU 48 N 3.70 0.00 -7.94 4.31 3.38 -2.08 -3.41 115.31 113.27 2b8k h LEU 48 Ca -0.26 -0.54 -0.72 0.00 0.09 0.00 0.00 57.88 56.45 2b8k h LEU 48 Cb 0.65 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.20 2b8k h LEU 48 CO 0.05 1.10 0.60 -0.63 0.09 0.00 0.00 178.44 179.65 2b8k s ILE 49 N -2.20 4.98 0.66 1.22 1.01 -1.26 -5.02 121.20 120.59 2b8k s ILE 49 Ca -0.20 -1.81 -0.12 0.00 0.00 0.00 0.00 60.65 58.52 2b8k s ILE 49 Cb 0.02 -4.68 -0.01 0.00 0.01 0.00 0.00 42.46 37.79 2b8k s ILE 49 CO 0.50 -1.36 1.05 -0.89 0.00 0.00 0.00 174.94 174.24 2b8k s THR 50 N 1.98 4.05 0.00 2.92 2.01 -1.26 -4.98 115.64 120.36 2b8k s THR 50 Ca 0.28 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2b8k s THR 50 Cb -0.07 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2b8k s THR 50 CO -0.09 -0.78 0.02 0.59 -0.69 0.00 0.00 174.62 173.66 2b8k n ASN 51 N -2.75 0.00 -4.64 3.53 4.13 -1.26 -5.07 115.26 109.20 2b8k n ASN 51 Ca 0.08 -1.00 -0.40 0.00 1.68 0.00 0.00 54.58 54.93 2b8k n ASN 51 Cb 0.53 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 2b8k n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2b8k s ILE 52 N 0.00 4.99 0.00 2.41 -4.36 -1.26 -3.39 121.20 119.59 2b8k s ILE 52 Ca 0.00 1.19 0.00 0.00 -0.26 0.00 0.00 60.65 61.58 2b8k s ILE 52 Cb 0.00 -3.95 0.00 0.00 1.25 0.00 0.00 42.46 39.76 2b8k s ILE 52 CO 0.00 0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2b8k n GLY 53 N 3.99 0.85 0.42 6.27 0.00 -1.26 -4.95 105.19 110.51 2b8k n GLY 53 Ca -0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 2b8k n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b8k h GLU 54 N 1.71 0.23 -2.06 1.61 5.08 -1.91 -2.36 114.58 116.88 2b8k h GLU 54 Ca 0.00 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 2b8k h GLU 54 Cb 0.00 -0.05 -0.40 0.00 0.50 0.00 0.00 28.75 28.80 2b8k h GLU 54 CO 0.00 0.15 -0.98 2.41 -1.00 0.00 0.00 179.01 179.59 2b8k n THR 55 N -4.42 0.33 -2.79 1.13 -1.04 -1.26 -3.35 114.28 102.87 2b8k n THR 55 Ca 0.19 -4.48 -0.33 0.00 -2.04 0.00 0.00 64.05 57.39 2b8k n THR 55 Cb 0.80 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.55 2b8k n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8k s ALA 56 N -1.82 3.03 0.00 2.41 0.00 -0.89 -4.66 121.76 119.82 2b8k s ALA 56 Ca 0.38 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2b8k s ALA 56 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2b8k s ALA 56 CO -0.08 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2b8k n GLY 57 N -0.62 0.00 2.47 0.00 0.00 -1.26 -4.93 105.19 100.85 2b8k n GLY 57 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2b8k n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b8k n VAL 58 N 1.84 0.87 -1.25 1.61 0.31 -1.26 -5.09 118.33 115.37 2b8k n VAL 58 Ca 0.00 -4.20 -0.38 0.00 -0.01 0.00 0.00 64.34 59.75 2b8k n VAL 58 Cb 0.00 -0.17 0.04 0.00 -0.91 0.00 0.00 33.84 32.80 2b8k n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2b8k n VAL 59 N 0.02 0.85 0.05 2.52 0.31 -1.26 -4.76 118.33 116.06 2b8k n VAL 59 Ca 0.21 -0.47 0.01 0.00 -0.01 0.00 0.00 64.34 64.09 2b8k n VAL 59 Cb 0.68 -0.31 0.06 0.00 -0.91 0.00 0.00 33.84 33.36 2b8k n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2b8k n GLN 60 N 0.78 0.01 0.01 5.55 -0.06 -1.26 -0.98 117.38 121.43 2b8k n GLN 60 Ca 0.08 0.49 0.12 0.00 -2.00 0.00 0.00 57.00 55.69 2b8k n GLN 60 Cb 0.49 -1.53 0.32 0.00 -4.06 0.00 0.00 30.24 25.47 2b8k n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2b8k n ASP 61 N -1.54 0.43 0.00 1.69 8.00 -1.26 -4.22 116.55 119.64 2b8k n ASP 61 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2b8k n ASP 61 Cb 0.02 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2b8k n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b8k n ILE 62 N -1.63 0.00 -0.03 0.53 3.06 -0.16 0.62 119.36 121.75 2b8k n ILE 62 Ca 0.05 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.33 2b8k n ILE 62 Cb 0.36 -0.73 -0.13 0.00 0.54 0.00 0.00 39.64 39.68 2b8k n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2b8k n GLY 63 N -0.59 -0.77 0.04 4.50 0.00 -1.26 -4.37 105.19 102.74 2b8k n GLY 63 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.82 2b8k n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b8k n SER 64 N -2.27 0.21 -4.58 1.61 3.41 0.20 -4.77 113.62 107.43 2b8k n SER 64 Ca -0.12 -0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 57.98 2b8k n SER 64 Cb 0.66 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2b8k n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b8k s ASP 65 N -2.73 6.54 0.26 4.04 -1.08 -1.24 -4.93 116.67 117.53 2b8k s ASP 65 Ca 0.22 0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 52.45 2b8k s ASP 65 Cb 0.19 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.45 2b8k s ASP 65 CO 0.52 -1.29 1.91 1.55 0.52 0.00 0.00 175.17 178.38 2b8k h PRO 66 N 9.31 1.25 0.00 4.34 0.13 -1.95 -3.04 132.00 142.04 2b8k h PRO 66 Ca -0.24 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2b8k h PRO 66 Cb 1.06 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2b8k h PRO 66 CO 1.13 0.83 0.28 1.79 -0.23 0.00 0.00 178.00 181.79 2b8k h THR 67 N 1.29 0.00 -3.45 1.56 1.35 -1.99 -3.43 112.91 108.24 2b8k h THR 67 Ca 0.40 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.76 2b8k h THR 67 Cb -0.02 0.43 0.02 0.00 -1.73 0.00 0.00 68.15 66.85 2b8k h THR 67 CO -0.12 0.00 0.03 -0.76 -0.25 0.00 0.00 175.52 174.42 2b8k s LEU 68 N -4.67 3.81 0.28 3.87 1.43 -1.15 -5.09 118.68 117.15 2b8k s LEU 68 Ca -0.02 0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 2b8k s LEU 68 Cb 0.06 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 2b8k s LEU 68 CO 0.18 -0.43 0.65 -2.16 0.23 0.00 0.00 176.35 174.82 2b8k s PRO 69 N -4.23 3.92 0.04 1.29 0.04 -1.26 -5.04 135.00 129.76 2b8k s PRO 69 Ca 0.47 0.50 0.04 0.00 0.04 0.00 0.00 61.00 62.05 2b8k s PRO 69 Cb -0.10 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2b8k s PRO 69 CO 0.37 0.23 -0.07 1.03 0.04 0.00 0.00 177.00 178.60 2b8k s ARG 70 N -2.90 2.44 0.13 4.56 1.81 -1.26 -3.34 118.95 120.39 2b8k s ARG 70 Ca 0.51 -0.82 0.04 0.00 -1.72 0.00 0.00 55.73 53.75 2b8k s ARG 70 Cb -0.11 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 2b8k s ARG 70 CO 0.19 0.57 -0.10 -1.54 -0.68 0.00 0.00 175.30 173.74 2b8k s SER 71 N -1.73 1.70 -0.34 0.23 1.04 -0.98 -5.00 113.70 108.62 2b8k s SER 71 Ca 0.19 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.76 2b8k s SER 71 Cb -0.11 -0.01 0.61 0.00 0.10 0.00 0.00 66.02 66.61 2b8k s SER 71 CO 0.10 -0.31 1.67 -0.90 0.98 0.00 0.00 173.24 174.79 2b8k n ASP 72 N 0.05 3.47 -2.89 7.02 5.75 -1.26 -3.29 116.55 125.39 2b8k n ASP 72 Ca -0.12 -3.54 0.00 0.00 -0.01 0.00 0.00 54.79 51.11 2b8k n ASP 72 Cb 0.60 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2b8k n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2b8k n ARG 73 N -0.89 0.82 -3.81 0.11 1.74 -1.26 -4.91 116.66 108.47 2b8k n ARG 73 Ca 0.42 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.37 2b8k n ARG 73 Cb 1.30 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 32.60 2b8k n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2b8k s GLU 74 N -0.48 0.07 1.15 5.56 -1.05 -1.24 -3.98 118.70 118.74 2b8k s GLU 74 Ca 0.00 0.20 -0.16 0.00 -0.15 0.00 0.00 54.97 54.86 2b8k s GLU 74 Cb 0.00 -0.06 0.20 0.00 -0.44 0.00 0.00 34.13 33.83 2b8k s GLU 74 CO 0.00 -0.08 0.48 0.00 0.95 0.00 0.00 175.26 176.62 2b8k h PRO 76 N -2.39 0.00 0.00 0.00 0.11 -1.98 -3.34 132.00 124.40 2b8k h PRO 76 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2b8k h PRO 76 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2b8k h PRO 76 CO 0.44 0.54 0.00 1.63 -0.21 0.00 0.00 178.00 180.40 2b8k n LYS 77 N -3.83 0.00 -0.23 1.05 5.02 -1.26 -4.82 118.16 114.09 2b8k n LYS 77 Ca -0.01 0.00 0.29 0.00 -2.02 0.00 0.00 58.31 56.56 2b8k n LYS 77 Cb 0.56 -0.06 0.44 0.00 -0.02 0.00 0.00 35.03 35.96 2b8k n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b8k n HIS 79 N -3.24 -0.94 -0.68 0.00 8.25 -1.25 -4.94 115.22 112.41 2b8k n HIS 79 Ca 0.24 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 2b8k n HIS 79 Cb 1.53 -2.39 0.26 0.00 1.12 0.00 0.00 29.99 30.51 2b8k n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2b8k s SER 80 N -1.96 0.35 -0.31 0.41 0.01 -1.26 -4.56 113.70 106.38 2b8k s SER 80 Ca 0.00 1.01 0.15 0.00 1.31 0.00 0.00 55.95 58.41 2b8k s SER 80 Cb 0.00 -1.50 0.47 0.00 0.21 0.00 0.00 66.02 65.20 2b8k s SER 80 CO 0.00 -4.52 1.10 0.54 0.41 0.00 0.00 173.24 170.77 2b8k n ARG 81 N -5.08 2.45 -3.57 12.44 1.74 -1.26 -3.60 116.66 119.78 2b8k n ARG 81 Ca 0.09 -3.81 -0.29 0.00 -0.77 0.00 0.00 57.85 53.07 2b8k n ARG 81 Cb 0.58 -1.84 -0.15 0.00 -1.02 0.00 0.00 32.46 30.03 2b8k n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2b8k s GLU 82 N -3.58 0.36 0.13 5.56 2.02 -1.26 -4.69 118.70 117.24 2b8k s GLU 82 Ca 0.37 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 54.71 2b8k s GLU 82 Cb 0.39 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 2b8k s GLU 82 CO -0.02 -1.04 -0.24 -0.80 0.02 0.00 0.00 175.26 173.18 2b8k s ASN 83 N 1.86 3.08 -0.33 -0.19 0.01 -1.21 -2.80 114.94 115.36 2b8k s ASN 83 Ca 0.10 -0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 2b8k s ASN 83 Cb -0.17 -0.20 0.12 0.00 0.41 0.00 0.00 41.25 41.41 2b8k s ASN 83 CO -0.30 0.12 0.16 0.54 -1.51 0.00 0.00 177.10 176.11 2b8k s VAL 84 N -1.23 0.35 0.56 1.60 0.11 -1.23 -2.33 120.40 118.23 2b8k s VAL 84 Ca 0.13 -1.38 -0.00 0.00 -2.93 0.00 0.00 61.98 57.80 2b8k s VAL 84 Cb -0.09 -1.27 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 2b8k s VAL 84 CO 0.06 -0.82 0.80 0.72 -3.33 0.00 0.00 175.10 172.54 2b8k s PHE 85 N 1.50 2.94 0.00 1.54 -0.00 -1.21 -3.68 117.98 119.07 2b8k s PHE 85 Ca 0.13 0.13 0.00 0.00 -0.00 0.00 0.00 56.93 57.19 2b8k s PHE 85 Cb -0.19 -2.76 0.00 0.00 -0.00 0.00 0.00 43.02 40.07 2b8k s PHE 85 CO -0.19 -0.88 0.00 1.97 -0.00 0.00 0.00 175.22 176.12 2b8k n PHE 86 N -2.41 -0.73 -4.51 3.49 1.16 -1.24 -4.39 117.46 108.84 2b8k n PHE 86 Ca 0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.40 2b8k n PHE 86 Cb 0.59 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 2b8k n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2b8k s GLN 87 N -1.39 1.74 -0.43 3.97 -0.21 -1.26 -3.10 119.66 118.98 2b8k s GLN 87 Ca 0.00 -1.90 -0.44 0.00 0.02 0.00 0.00 55.36 53.04 2b8k s GLN 87 Cb 0.00 -1.53 -0.18 0.00 1.00 0.00 0.00 33.01 32.30 2b8k s GLN 87 CO 0.00 0.10 1.77 0.45 -2.12 0.00 0.00 175.29 175.50 2b8k n SER 88 N -0.73 1.51 -0.32 5.90 2.88 -1.26 -4.75 113.62 116.84 2b8k n SER 88 Ca -0.05 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2b8k n SER 88 Cb 0.64 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2b8k n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b8k n GLN 89 N 5.25 0.73 -3.02 -1.46 1.13 -1.21 -4.50 117.38 114.29 2b8k n GLN 89 Ca 0.35 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.96 2b8k n GLN 89 Cb 0.01 -1.23 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 2b8k n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2b8k s GLN 90 N -1.37 3.19 -0.72 -1.09 0.74 -1.26 -4.92 119.66 114.23 2b8k s GLN 90 Ca 0.00 -1.32 -0.09 0.00 0.05 0.00 0.00 55.36 54.00 2b8k s GLN 90 Cb 0.00 -4.37 -0.08 0.00 1.10 0.00 0.00 33.01 29.66 2b8k s GLN 90 CO 0.00 -1.65 1.88 0.54 -0.55 0.00 0.00 175.29 175.52 2b8k n ARG 91 N 6.63 1.58 -4.27 1.67 5.12 -1.26 -4.83 116.66 121.29 2b8k n ARG 91 Ca -0.01 -1.37 -0.27 0.00 -1.93 0.00 0.00 57.85 54.27 2b8k n ARG 91 Cb 0.45 -2.48 -0.09 0.00 -1.16 0.00 0.00 32.46 29.18 2b8k n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2b8k s ARG 92 N 4.10 2.12 0.01 5.56 3.52 -1.26 -5.06 118.95 127.94 2b8k s ARG 92 Ca 0.38 -1.23 -0.18 0.00 -0.13 0.00 0.00 55.73 54.57 2b8k s ARG 92 Cb 0.10 -2.20 -0.10 0.00 -1.56 0.00 0.00 34.95 31.19 2b8k s ARG 92 CO 0.02 0.44 0.99 0.87 -0.81 0.00 0.00 175.30 176.81 2b8k h LYS 93 N 2.91 -0.62 0.00 5.12 1.57 -2.04 -3.25 116.57 120.26 2b8k h LYS 93 Ca -0.47 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2b8k h LYS 93 Cb 1.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2b8k h LYS 93 CO 0.55 -0.41 0.00 -0.40 -0.57 0.00 0.00 179.45 178.62 2b8k n ASP 94 N -4.24 0.00 -4.50 0.86 5.75 -1.26 -4.83 116.55 108.33 2b8k n ASP 94 Ca -0.08 0.21 -0.34 0.00 -0.01 0.00 0.00 54.79 54.57 2b8k n ASP 94 Cb 0.25 -0.21 0.10 0.00 -1.03 0.00 0.00 41.12 40.24 2b8k n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2b8k n THR 95 N -1.21 1.19 -3.17 2.12 -1.04 -1.23 -5.01 114.28 105.94 2b8k n THR 95 Ca 0.00 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.49 2b8k n THR 95 Cb 0.00 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2b8k n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2b8k s SER 96 N -1.81 6.12 -0.73 8.00 1.04 -1.26 -5.04 113.70 120.01 2b8k s SER 96 Ca 0.64 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 57.48 2b8k s SER 96 Cb -0.29 -1.85 0.38 0.00 0.10 0.00 0.00 66.02 64.36 2b8k s SER 96 CO 0.60 -0.47 1.85 0.23 0.98 0.00 0.00 173.24 176.42 2b8k n MET 97 N -1.93 2.89 -3.30 4.02 2.81 -1.26 -4.70 117.12 115.65 2b8k n MET 97 Ca -0.02 -3.67 -0.23 0.00 -1.81 0.00 0.00 57.70 51.96 2b8k n MET 97 Cb 0.57 -2.27 -0.01 0.00 -0.71 0.00 0.00 33.22 30.80 2b8k n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2b8k s VAL 98 N -5.10 4.76 0.11 2.03 1.01 -1.26 -5.09 120.40 116.86 2b8k s VAL 98 Ca 0.53 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2b8k s VAL 98 Cb 0.44 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2b8k s VAL 98 CO -0.30 -0.47 0.10 -0.76 0.00 0.00 0.00 175.10 173.67 2b8k s LEU 99 N -4.36 3.81 -0.32 3.92 1.43 -1.26 -4.43 118.68 117.47 2b8k s LEU 99 Ca 0.42 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2b8k s LEU 99 Cb -0.10 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.75 2b8k s LEU 99 CO 0.36 0.13 0.05 -0.36 0.23 0.00 0.00 176.35 176.76 2b8k s PHE 100 N -1.52 3.01 0.83 0.29 0.40 -1.18 -3.04 117.98 116.77 2b8k s PHE 100 Ca 0.30 -2.49 -0.09 0.00 -0.60 0.00 0.00 56.93 54.06 2b8k s PHE 100 Cb -0.11 -2.40 0.15 0.00 0.51 0.00 0.00 43.02 41.16 2b8k s PHE 100 CO 0.23 -0.91 1.15 -0.06 0.70 0.00 0.00 175.22 176.32 2b8k s PHE 101 N 1.17 1.82 0.25 0.36 0.40 -0.49 -3.62 117.98 117.87 2b8k s PHE 101 Ca 0.08 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2b8k s PHE 101 Cb -0.19 -3.53 -0.03 0.00 0.51 0.00 0.00 43.02 39.78 2b8k s PHE 101 CO -0.13 -2.08 0.23 0.08 0.70 0.00 0.00 175.22 174.02 2b8k s VAL 102 N -3.50 0.00 -0.00 -0.44 1.01 -1.24 -3.73 120.40 112.49 2b8k s VAL 102 Ca 0.69 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.80 2b8k s VAL 102 Cb -0.06 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2b8k s VAL 102 CO 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 2b8k n LEU 104 N 1.67 0.55 -2.31 0.00 4.77 -1.12 -3.62 117.00 116.93 2b8k n LEU 104 Ca -0.16 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 2b8k n LEU 104 Cb 0.52 0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2b8k n LEU 104 CO 0.30 0.20 1.19 -1.20 -1.33 0.00 0.00 177.39 176.55 2b8k n SER 105 N -2.77 7.11 0.00 -1.43 7.64 -1.26 -4.72 113.62 118.18 2b8k n SER 105 Ca -0.14 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 55.96 2b8k n SER 105 Cb 0.87 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2b8k n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8k n SER 107 N 0.00 -2.67 -4.96 0.00 7.64 -1.24 -5.02 113.62 107.36 2b8k n SER 107 Ca 0.00 -0.08 -0.21 0.00 1.01 0.00 0.00 58.87 59.58 2b8k n SER 107 Cb 0.00 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 61.86 2b8k n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2b8k s HIS 108 N -2.93 3.44 -0.54 1.43 5.65 -1.26 -4.88 115.29 116.19 2b8k s HIS 108 Ca 0.09 -0.01 0.03 0.00 0.25 0.00 0.00 55.06 55.42 2b8k s HIS 108 Cb -0.04 -1.57 0.14 0.00 -1.18 0.00 0.00 32.58 29.93 2b8k s HIS 108 CO 0.11 0.45 0.30 0.42 -0.65 0.00 0.00 174.74 175.37 2b8k s ILE 109 N -1.97 2.77 -0.04 0.89 1.01 -1.26 -3.40 121.20 119.20 2b8k s ILE 109 Ca 0.34 -3.31 -0.02 0.00 0.00 0.00 0.00 60.65 57.65 2b8k s ILE 109 Cb -0.09 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2b8k s ILE 109 CO 0.29 -0.82 0.10 0.72 0.00 0.00 0.00 174.94 175.23 2b8k s PHE 110 N -0.31 3.39 0.45 3.97 -0.12 -1.24 -4.89 117.98 119.21 2b8k s PHE 110 Ca 0.17 0.30 0.07 0.00 -0.05 0.00 0.00 56.93 57.43 2b8k s PHE 110 Cb -0.24 -1.81 0.02 0.00 -0.63 0.00 0.00 43.02 40.36 2b8k s PHE 110 CO -0.01 0.60 0.61 0.99 -0.05 0.00 0.00 175.22 177.36 2b8k s THR 111 N -1.15 2.91 -0.30 -4.49 2.01 -1.26 -1.39 115.64 111.97 2b8k s THR 111 Ca 0.21 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.34 2b8k s THR 111 Cb -0.12 -2.96 0.51 0.00 0.01 0.00 0.00 72.50 69.94 2b8k s THR 111 CO 0.11 0.00 1.47 -1.54 -0.69 0.00 0.00 174.62 173.98 2b8k n SER 112 N -1.94 2.52 -4.76 3.53 3.41 -1.17 -4.98 113.62 110.24 2b8k n SER 112 Ca 0.08 -3.80 -0.40 0.00 -0.26 0.00 0.00 58.87 54.49 2b8k n SER 112 Cb 0.59 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 2b8k n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b8k s ASP 113 N -2.55 7.19 -0.23 4.04 -1.08 -1.26 -4.88 116.67 117.91 2b8k s ASP 113 Ca 0.45 2.28 0.18 0.00 -0.52 0.00 0.00 52.55 54.94 2b8k s ASP 113 Cb 0.41 -2.63 0.48 0.00 -1.46 0.00 0.00 42.92 39.72 2b8k s ASP 113 CO -0.00 -0.20 1.15 0.00 0.52 0.00 0.00 175.17 176.64 2b8k n GLN 114 N 1.07 1.99 0.00 4.34 6.02 -1.26 -4.86 117.38 124.67 2b8k n GLN 114 Ca -0.01 -3.46 0.00 0.00 -0.01 0.00 0.00 57.00 53.53 2b8k n GLN 114 Cb 0.45 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2b8k n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2b8k n LYS 115 N -0.51 0.00 -1.71 -1.09 5.02 -1.26 -5.13 118.16 113.48 2b8k n LYS 115 Ca 0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.24 2b8k n LYS 115 Cb 0.89 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 36.05 2b8k n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b8k n ASN 116 N -2.40 0.32 -3.73 4.39 3.02 -1.26 -5.11 115.26 110.48 2b8k n ASN 116 Ca 0.00 -1.52 -0.12 0.00 -0.03 0.00 0.00 54.58 52.91 2b8k n ASN 116 Cb 0.00 -0.76 -0.13 0.00 -0.61 0.00 0.00 39.78 38.28 2b8k n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2b8k s LYS 117 N -5.21 0.23 0.01 3.52 1.02 -1.26 -4.90 119.74 113.15 2b8k s LYS 117 Ca 0.60 0.52 0.05 0.00 0.02 0.00 0.00 55.97 57.17 2b8k s LYS 117 Cb -0.02 -0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 2b8k s LYS 117 CO 0.42 -0.15 -0.17 1.03 -0.92 0.00 0.00 175.35 175.56 2b8k s ARG 118 N 1.14 1.24 -0.01 1.68 0.52 -1.26 -4.99 118.95 117.27 2b8k s ARG 118 Ca -0.08 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 2b8k s ARG 118 Cb -0.09 -1.24 -0.11 0.00 0.52 0.00 0.00 34.95 34.03 2b8k s ARG 118 CO -0.08 0.33 0.15 2.41 0.02 0.00 0.00 175.30 178.14 2b8k n THR 119 N 2.34 0.00 1.38 0.02 -1.04 -1.26 -4.91 114.28 110.81 2b8k n THR 119 Ca -0.16 -0.16 0.14 0.00 -2.04 0.00 0.00 64.05 61.82 2b8k n THR 119 Cb 0.54 0.36 0.42 0.00 -1.82 0.00 0.00 70.33 69.83 2b8k n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43