#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9n s PHE 2 N 0.00 3.63 0.39 2.03 0.40 -1.26 -3.11 117.98 120.06 2b9n s PHE 2 Ca 0.00 -2.68 0.08 0.00 -0.60 0.00 0.00 56.93 53.73 2b9n s PHE 2 Cb 0.00 -2.88 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 2b9n s PHE 2 CO 0.00 -0.94 0.07 0.00 0.70 0.00 0.00 175.22 175.05 2b9n s ALA 3 N 1.02 3.34 -0.44 5.36 0.00 1.30 -4.46 121.76 127.87 2b9n s ALA 3 Ca 0.07 -2.11 0.05 0.00 0.00 0.00 0.00 51.96 49.97 2b9n s ALA 3 Cb -0.20 -0.23 0.18 0.00 0.00 0.00 0.00 23.12 22.87 2b9n s ALA 3 CO -0.06 -0.07 0.45 -0.89 0.00 0.00 0.00 175.76 175.19 2b9n n ILE 4 N -1.06 -0.88 0.00 0.00 5.41 -1.26 0.17 119.36 121.74 2b9n n ILE 4 Ca -0.03 -2.83 0.00 0.00 1.00 0.00 0.00 62.75 60.89 2b9n n ILE 4 Cb 0.64 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 2b9n n ILE 4 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2b9n n ILE 5 N 2.77 0.00 0.00 1.39 -0.00 -1.26 -3.64 119.36 118.62 2b9n n ILE 5 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 2b9n n ILE 5 Cb 0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 40.05 2b9n n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2b9n n GLN 6 N 0.00 0.00 -3.78 0.38 1.13 -1.25 -4.70 117.38 109.15 2b9n n GLN 6 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 2b9n n GLN 6 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2b9n n GLN 6 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2b9n s THR 7 N 0.00 2.46 0.00 5.09 -4.23 -1.23 -4.74 115.64 112.98 2b9n s THR 7 Ca 0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2b9n s THR 7 Cb 0.00 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2b9n s THR 7 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2b9n n GLY 8 N -1.46 0.00 0.00 3.99 0.00 -1.26 -3.01 105.19 103.46 2b9n n GLY 8 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2b9n n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b9n n GLY 9 N 0.21 4.30 0.41 -0.02 0.00 -1.26 -5.03 105.19 103.80 2b9n n GLY 9 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2b9n n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b9n h LYS 10 N 0.00 -0.16 -4.51 1.61 1.57 -1.88 -3.43 116.57 109.77 2b9n h LYS 10 Ca 0.00 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 2b9n h LYS 10 Cb 0.00 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.20 2b9n h LYS 10 CO 0.00 -0.11 -0.33 1.04 -0.57 0.00 0.00 179.45 179.48 2b9n n GLN 11 N -5.37 -0.96 -2.29 3.15 6.02 -1.26 -3.58 117.38 113.09 2b9n n GLN 11 Ca 0.02 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2b9n n GLN 11 Cb 0.33 -1.88 -0.01 0.00 1.02 0.00 0.00 30.24 29.70 2b9n n GLN 11 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2b9n n TYR 12 N -1.85 0.13 -0.27 1.08 9.36 -1.26 -4.87 117.16 119.48 2b9n n TYR 12 Ca 0.04 -0.27 0.00 0.00 3.32 0.00 0.00 57.90 60.99 2b9n n TYR 12 Cb 0.18 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 2b9n n TYR 12 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2b9n n ARG 13 N -0.14 0.00 -3.01 2.98 5.12 -1.23 -5.03 116.66 115.35 2b9n n ARG 13 Ca -0.02 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.82 2b9n n ARG 13 Cb 0.07 -0.27 -0.03 0.00 -1.16 0.00 0.00 32.46 31.08 2b9n n ARG 13 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2b9n n VAL 14 N -0.25 0.00 0.24 1.55 0.31 0.44 -4.89 118.33 115.72 2b9n n VAL 14 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.22 2b9n n VAL 14 Cb 0.09 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2b9n n VAL 14 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2b9n n SER 15 N -2.00 -3.98 0.00 4.52 3.41 -1.18 0.40 113.62 114.78 2b9n n SER 15 Ca 0.02 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2b9n n SER 15 Cb 0.33 3.71 0.00 0.00 -0.26 0.00 0.00 64.21 67.98 2b9n n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b9n n GLU 16 N -3.48 0.00 -1.54 4.33 1.02 -1.25 -3.53 120.64 116.20 2b9n n GLU 16 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2b9n n GLU 16 Cb 0.00 -0.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.72 2b9n n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b9n n GLY 17 N 2.28 -0.21 3.64 0.62 0.00 -1.26 -2.83 105.19 107.42 2b9n n GLY 17 Ca 0.00 0.41 -0.60 0.00 0.00 0.00 0.00 46.02 45.82 2b9n n GLY 17 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b9n n ASP 18 N 14.04 1.13 -4.35 1.61 5.75 -1.26 -4.69 116.55 128.78 2b9n n ASP 18 Ca 0.52 1.15 -0.39 0.00 -0.01 0.00 0.00 54.79 56.06 2b9n n ASP 18 Cb 0.34 -1.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.31 2b9n n ASP 18 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2b9n s VAL 19 N 1.72 4.25 -0.37 2.12 1.01 -1.15 -4.82 120.40 123.16 2b9n s VAL 19 Ca 0.96 -0.85 -0.33 0.00 0.00 0.00 0.00 61.98 61.75 2b9n s VAL 19 Cb -1.25 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.66 2b9n s VAL 19 CO 0.65 -0.13 1.47 -0.38 0.00 0.00 0.00 175.10 176.71 2b9n n ILE 20 N 4.92 0.00 -4.57 2.22 5.41 -1.26 -4.50 119.36 121.57 2b9n n ILE 20 Ca -0.13 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.31 2b9n n ILE 20 Cb 0.46 -0.37 -0.11 0.00 -0.71 0.00 0.00 39.64 38.91 2b9n n ILE 20 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2b9n s ARG 21 N 3.81 2.40 0.77 0.38 1.81 -1.21 -5.03 118.95 121.88 2b9n s ARG 21 Ca 0.86 -0.79 -0.17 0.00 -1.72 0.00 0.00 55.73 53.91 2b9n s ARG 21 Cb -1.11 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 30.90 2b9n s ARG 21 CO 0.52 0.59 -0.05 0.28 -0.68 0.00 0.00 175.30 175.96 2b9n n VAL 22 N 1.66 0.61 -0.22 3.52 0.31 -1.26 -3.23 118.33 119.72 2b9n n VAL 22 Ca -0.16 -0.43 -0.07 0.00 -0.01 0.00 0.00 64.34 63.67 2b9n n VAL 22 Cb 0.52 -0.31 0.07 0.00 -0.91 0.00 0.00 33.84 33.21 2b9n n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2b9n n GLU 23 N 0.71 -0.62 0.00 5.55 1.02 -1.26 -4.60 120.64 121.45 2b9n n GLU 23 Ca 0.06 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2b9n n GLU 23 Cb 0.51 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 2b9n n GLU 23 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2b9n n SER 24 N -1.43 0.00 -2.99 1.62 3.41 -1.26 -4.98 113.62 108.00 2b9n n SER 24 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.40 2b9n n SER 24 Cb 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 2b9n n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2b9n n LEU 25 N 0.00 5.72 0.00 1.04 4.77 -1.26 -2.44 117.00 124.83 2b9n n LEU 25 Ca 0.00 -3.19 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 2b9n n LEU 25 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2b9n n LEU 25 CO 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 177.39 177.17 2b9n n GLN 26 N 3.69 0.00 -0.07 3.23 6.02 -1.26 -4.88 117.38 124.11 2b9n n GLN 26 Ca 0.51 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.38 2b9n n GLN 26 Cb 0.27 -0.34 -0.15 0.00 1.02 0.00 0.00 30.24 31.05 2b9n n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b9n n GLY 27 N 0.52 -0.88 0.00 1.08 0.00 -1.17 -4.80 105.19 99.93 2b9n n GLY 27 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2b9n n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b9n n GLU 28 N -2.97 0.00 0.00 1.61 1.02 -1.02 -2.99 120.64 116.29 2b9n n GLU 28 Ca -0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 2b9n n GLU 28 Cb 1.09 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 2b9n n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b9n n ALA 29 N -3.00 0.00 -1.52 0.62 0.00 -1.26 -3.77 120.51 111.57 2b9n n ALA 29 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2b9n n ALA 29 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2b9n n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b9n n GLY 30 N 0.00 -0.34 0.00 0.00 0.00 -1.16 -4.85 105.19 98.84 2b9n n GLY 30 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2b9n n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b9n n ASP 31 N 11.14 0.00 -3.91 1.61 9.92 -1.25 -2.98 116.55 131.09 2b9n n ASP 31 Ca 0.59 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.50 2b9n n ASP 31 Cb 0.26 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.63 2b9n n ASP 31 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2b9n n LYS 32 N 0.00 0.43 -3.03 -1.24 5.02 0.18 -2.60 118.16 116.92 2b9n n LYS 32 Ca 0.00 -1.47 -0.19 0.00 -2.02 0.00 0.00 58.31 54.63 2b9n n LYS 32 Cb 0.00 -3.07 0.06 0.00 -0.02 0.00 0.00 35.03 32.00 2b9n n LYS 32 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2b9n s VAL 33 N 9.83 2.18 -0.07 -0.18 1.01 -1.16 -4.53 120.40 127.47 2b9n s VAL 33 Ca 0.70 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2b9n s VAL 33 Cb 0.08 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2b9n s VAL 33 CO 0.25 0.00 -0.14 -1.61 0.00 0.00 0.00 175.10 173.60 2b9n s GLU 34 N -4.66 1.94 0.00 2.72 2.02 -1.26 -1.08 118.70 118.38 2b9n s GLU 34 Ca 0.62 -0.49 -0.24 0.00 0.02 0.00 0.00 54.97 54.87 2b9n s GLU 34 Cb -0.06 -1.58 0.05 0.00 0.10 0.00 0.00 34.13 32.65 2b9n s GLU 34 CO 0.39 0.04 0.54 -0.51 0.02 0.00 0.00 175.26 175.74 2b9n s LEU 35 N 0.66 -0.12 0.23 1.80 1.43 -1.24 -4.97 118.68 116.46 2b9n s LEU 35 Ca -0.14 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 2b9n s LEU 35 Cb -0.16 2.12 -0.09 0.00 0.03 0.00 0.00 46.19 48.10 2b9n s LEU 35 CO 0.04 -0.63 0.87 -0.54 0.23 0.00 0.00 176.35 176.32 2b9n s LYS 36 N -1.78 4.66 -0.32 1.70 1.02 -1.26 -3.22 119.74 120.54 2b9n s LYS 36 Ca -0.09 1.30 -0.01 0.00 0.02 0.00 0.00 55.97 57.19 2b9n s LYS 36 Cb -0.01 -3.14 0.10 0.00 -0.52 0.00 0.00 37.83 34.26 2b9n s LYS 36 CO 0.04 0.47 0.12 0.00 -0.92 0.00 0.00 175.35 175.06 2b9n s ALA 37 N -1.29 1.34 0.41 5.17 0.00 -1.23 -4.96 121.76 121.19 2b9n s ALA 37 Ca 0.42 -1.62 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 2b9n s ALA 37 Cb -0.23 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 21.16 2b9n s ALA 37 CO 0.28 -1.72 0.02 1.28 0.00 0.00 0.00 175.76 175.62 2b9n n LEU 38 N 4.79 -2.96 0.00 0.00 4.77 -1.26 -3.79 117.00 118.55 2b9n n LEU 38 Ca -0.01 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2b9n n LEU 38 Cb 0.41 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2b9n n LEU 38 CO 0.11 -4.16 0.00 0.33 -1.33 0.00 0.00 177.39 172.34 2b9n n PHE 39 N -1.11 0.00 0.00 -1.77 -0.00 -1.26 -3.85 117.46 109.47 2b9n n PHE 39 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2b9n n PHE 39 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.88 2b9n n PHE 39 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2b9n n VAL 40 N 0.00 0.00 -1.65 -2.13 0.24 -1.24 -4.48 118.33 109.06 2b9n n VAL 40 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2b9n n VAL 40 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2b9n n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b9n n GLY 41 N 0.00 0.02 3.50 7.63 0.00 -1.24 -4.17 105.19 110.93 2b9n n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2b9n n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b9n n GLY 42 N 0.00 -0.48 2.80 -0.02 0.00 -1.24 -4.13 105.19 102.11 2b9n n GLY 42 Ca -0.09 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 2b9n n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b9n s GLU 43 N 8.00 0.95 -0.03 1.61 2.12 -1.26 -2.57 118.70 127.52 2b9n s GLU 43 Ca 1.33 -1.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.29 2b9n s GLU 43 Cb -1.03 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.07 2b9n s GLU 43 CO 0.52 -0.99 0.05 -0.65 -0.54 0.00 0.00 175.26 173.65 2b9n s GLN 44 N 1.32 -0.06 -1.41 4.30 1.11 -0.90 -4.13 119.66 119.89 2b9n s GLN 44 Ca 0.11 0.31 -0.06 0.00 0.01 0.00 0.00 55.36 55.72 2b9n s GLN 44 Cb -0.18 -0.40 0.04 0.00 -1.01 0.00 0.00 33.01 31.45 2b9n s GLN 44 CO -0.19 -0.26 0.85 0.25 0.01 0.00 0.00 175.29 175.95 2b9n n THR 45 N 4.85 -3.36 -2.11 -0.19 -2.24 -1.26 -1.87 114.28 108.09 2b9n n THR 45 Ca -0.13 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2b9n n THR 45 Cb 0.50 -3.40 -0.01 0.00 -2.10 0.00 0.00 70.33 65.32 2b9n n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2b9n n VAL 46 N -4.49 -0.51 -3.85 2.28 0.31 -1.26 -5.01 118.33 105.80 2b9n n VAL 46 Ca -0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.00 2b9n n VAL 46 Cb 0.61 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.45 2b9n n VAL 46 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2b9n s PHE 47 N -2.61 0.40 0.41 3.52 0.40 -0.78 -5.16 117.98 114.16 2b9n s PHE 47 Ca 0.00 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 2b9n s PHE 47 Cb 0.00 -0.55 -0.07 0.00 0.51 0.00 0.00 43.02 42.91 2b9n s PHE 47 CO 0.00 -0.20 0.02 0.20 0.70 0.00 0.00 175.22 175.94 2b9n s GLY 48 N 1.50 2.51 -0.19 4.36 0.00 -1.26 -2.11 107.32 112.14 2b9n s GLY 48 Ca -0.03 -2.02 -0.30 0.00 0.00 0.00 0.00 44.72 42.38 2b9n s GLY 48 CO -0.03 -2.07 1.08 -0.54 0.00 0.00 0.00 173.10 171.55 2b9n s GLU 49 N -3.76 0.47 0.16 2.90 8.01 -1.06 -5.02 118.70 120.40 2b9n s GLU 49 Ca 0.31 0.13 -0.15 0.00 0.01 0.00 0.00 54.97 55.27 2b9n s GLU 49 Cb 0.09 0.22 -0.10 0.00 -4.31 0.00 0.00 34.13 30.03 2b9n s GLU 49 CO 0.16 -0.14 0.22 -0.25 0.01 0.00 0.00 175.26 175.26 2b9n n ASP 50 N 0.73 -1.10 0.00 -0.19 9.92 -1.26 -3.68 116.55 120.96 2b9n n ASP 50 Ca -0.08 0.61 0.11 0.00 -0.53 0.00 0.00 54.79 54.90 2b9n n ASP 50 Cb 0.58 -0.56 0.59 0.00 -0.64 0.00 0.00 41.12 41.09 2b9n n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2b9n n ALA 51 N -0.22 2.20 -0.05 2.24 0.00 -1.26 -1.24 120.51 122.19 2b9n n ALA 51 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.43 2b9n n ALA 51 Cb 0.18 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 2b9n n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b9n n GLY 52 N 0.55 -0.88 0.15 0.00 0.00 -1.26 -3.22 105.19 100.53 2b9n n GLY 52 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2b9n n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b9n h LYS 53 N 0.00 0.40 0.00 1.61 1.57 -1.68 -3.35 116.57 115.12 2b9n h LYS 53 Ca -0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2b9n h LYS 53 Cb 1.45 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2b9n h LYS 53 CO 0.01 0.52 0.00 0.66 -0.57 0.00 0.00 179.45 180.07 2b9n n TYR 54 N -4.71 0.00 0.00 -1.35 0.53 -0.37 -4.32 117.16 106.93 2b9n n TYR 54 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 2b9n n TYR 54 Cb 0.19 -0.15 0.00 0.00 -1.03 0.00 0.00 39.34 38.35 2b9n n TYR 54 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 2b9n n THR 55 N -1.05 0.00 0.02 -0.72 -2.24 -1.20 -2.33 114.28 106.76 2b9n n THR 55 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2b9n n THR 55 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2b9n n THR 55 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2b9n n VAL 56 N 0.00 0.00 0.00 2.28 0.31 -1.26 -5.03 118.33 114.63 2b9n n VAL 56 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b9n n VAL 56 Cb 0.00 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2b9n n VAL 56 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2b9n n GLN 57 N -2.58 2.79 0.00 5.55 7.27 -0.98 -5.09 117.38 124.35 2b9n n GLN 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2b9n n GLN 57 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2b9n n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2b9n n ALA 58 N -3.00 0.00 -2.88 1.69 0.00 -1.26 -4.17 120.51 110.90 2b9n n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b9n n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b9n n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b9n n GLU 59 N 0.00 0.00 0.00 0.00 1.02 -1.25 -4.09 120.64 116.33 2b9n n GLU 59 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2b9n n GLU 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2b9n n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2b9n n VAL 60 N 0.00 0.00 -3.97 2.62 0.31 0.27 -3.56 118.33 114.00 2b9n n VAL 60 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2b9n n VAL 60 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2b9n n VAL 60 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2b9n s VAL 61 N -2.00 0.14 0.02 2.52 1.01 -1.20 0.85 120.40 121.74 2b9n s VAL 61 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2b9n s VAL 61 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 2b9n s VAL 61 CO 0.00 -0.36 1.21 -1.61 0.00 0.00 0.00 175.10 174.34 2b9n s GLU 62 N -1.12 4.40 -0.73 2.72 2.02 -0.91 -3.71 118.70 121.38 2b9n s GLU 62 Ca -0.11 1.75 -0.26 0.00 0.02 0.00 0.00 54.97 56.36 2b9n s GLU 62 Cb -0.08 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 2b9n s GLU 62 CO -0.01 -0.33 2.25 -1.01 0.02 0.00 0.00 175.26 176.18 2b9n s HIS 63 N 1.49 1.33 0.00 1.61 3.76 -0.24 -3.00 115.29 120.24 2b9n s HIS 63 Ca 0.58 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 2b9n s HIS 63 Cb -0.28 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 29.74 2b9n s HIS 63 CO 0.27 -1.91 0.30 0.41 -0.85 0.00 0.00 174.74 172.97 2b9n n GLY 64 N 6.52 -0.79 0.00 -2.22 0.00 0.50 0.49 105.19 109.68 2b9n n GLY 64 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2b9n n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9n n ARG 65 N -1.43 0.22 -3.14 1.61 1.74 -0.12 -4.35 116.66 111.19 2b9n n ARG 65 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2b9n n ARG 65 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2b9n n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b9n n GLY 66 N 0.34 3.09 1.04 -0.13 0.00 -1.26 -1.73 105.19 106.54 2b9n n GLY 66 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 2b9n n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b9n n LYS 67 N 0.59 0.00 -3.51 1.61 5.02 0.22 -4.89 118.16 117.20 2b9n n LYS 67 Ca 0.22 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 2b9n n LYS 67 Cb 0.63 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 35.21 2b9n n LYS 67 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2b9n s LYS 68 N -0.21 2.59 0.00 1.97 2.20 -1.26 -3.13 119.74 121.90 2b9n s LYS 68 Ca 0.22 -1.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 2b9n s LYS 68 Cb -0.31 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 2b9n s LYS 68 CO 0.17 -1.22 0.00 -0.89 -0.36 0.00 0.00 175.35 173.05 2b9n n ILE 69 N 4.94 0.00 -2.63 5.43 -0.00 -1.25 -4.60 119.36 121.25 2b9n n ILE 69 Ca -0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.24 2b9n n ILE 69 Cb 0.41 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.64 40.00 2b9n n ILE 69 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 2b9n s TYR 70 N 0.00 2.81 0.00 1.39 1.51 -1.26 -4.90 117.35 116.90 2b9n s TYR 70 Ca 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 57.07 54.60 2b9n s TYR 70 Cb 0.00 -4.67 0.00 0.00 -0.11 0.00 0.00 41.96 37.18 2b9n s TYR 70 CO 0.00 -1.78 0.00 -0.89 -1.11 0.00 0.00 175.55 171.77 2b9n n ILE 71 N 6.29 0.00 0.00 2.71 2.08 -1.26 -5.02 119.36 124.15 2b9n n ILE 71 Ca 0.42 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.73 2b9n n ILE 71 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 2b9n n ILE 71 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2b9n n ARG 72 N -0.01 0.00 -4.16 0.38 1.74 -1.26 -4.86 116.66 108.49 2b9n n ARG 72 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2b9n n ARG 72 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 2b9n n ARG 72 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2b9n s LYS 73 N 0.00 2.50 -0.47 5.56 1.02 -1.26 0.28 119.74 127.37 2b9n s LYS 73 Ca 0.00 -0.97 0.08 0.00 0.02 0.00 0.00 55.97 55.11 2b9n s LYS 73 Cb 0.00 -2.46 0.30 0.00 -0.52 0.00 0.00 37.83 35.15 2b9n s LYS 73 CO 0.00 0.50 0.72 0.66 -0.92 0.00 0.00 175.35 176.30 2b9n n TYR 74 N 0.19 1.47 -1.53 3.18 4.02 -1.00 -4.95 117.16 118.53 2b9n n TYR 74 Ca -0.10 -3.85 -0.32 0.00 -0.01 0.00 0.00 57.90 53.63 2b9n n TYR 74 Cb 0.54 -0.44 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 2b9n n TYR 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2b9n n LYS 75 N 0.60 0.44 -2.85 -0.72 4.76 -1.26 -4.15 118.16 114.98 2b9n n LYS 75 Ca 0.26 -0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.12 2b9n n LYS 75 Cb 0.52 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.25 2b9n n LYS 75 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2b9n s SER 76 N 8.91 6.49 0.17 4.39 1.04 -0.92 -4.98 113.70 128.79 2b9n s SER 76 Ca 1.16 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2b9n s SER 76 Cb -0.64 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.00 2b9n s SER 76 CO 0.36 -1.24 0.06 -0.83 0.98 0.00 0.00 173.24 172.57 2b9n s GLY 77 N 3.85 1.22 -0.20 7.32 0.00 -1.26 -2.43 107.32 115.82 2b9n s GLY 77 Ca 0.32 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2b9n s GLY 77 CO -0.04 -1.44 1.11 -1.34 0.00 0.00 0.00 173.10 171.38 2b9n s VAL 78 N -3.92 0.00 0.06 1.40 -7.23 -0.88 -4.99 120.40 104.84 2b9n s VAL 78 Ca 0.28 0.00 0.23 0.00 -1.81 0.00 0.00 61.98 60.68 2b9n s VAL 78 Cb 0.07 -1.00 0.23 0.00 0.56 0.00 0.00 36.38 36.24 2b9n s VAL 78 CO 0.05 0.00 1.68 1.56 -0.31 0.00 0.00 175.10 178.08 2b9n h GLN 79 N 2.38 0.00 -1.36 4.82 4.20 -2.02 -3.22 115.11 119.91 2b9n h GLN 79 Ca -0.15 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 2b9n h GLN 79 Cb 1.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.89 2b9n h GLN 79 CO 0.28 0.00 0.15 0.66 -0.67 0.00 0.00 178.83 179.25 2b9n n TYR 80 N -2.37 0.61 -3.71 2.96 4.02 -1.26 -4.77 117.16 112.64 2b9n n TYR 80 Ca -0.02 -1.04 -0.25 0.00 -0.01 0.00 0.00 57.90 56.59 2b9n n TYR 80 Cb 0.16 -0.52 0.03 0.00 -0.02 0.00 0.00 39.34 38.98 2b9n n TYR 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2b9n n ARG 81 N 0.56 -3.27 -3.49 -0.72 1.74 -1.22 -5.00 116.66 105.27 2b9n n ARG 81 Ca 0.12 0.55 -0.15 0.00 -0.77 0.00 0.00 57.85 57.60 2b9n n ARG 81 Cb 0.64 -4.79 -0.12 0.00 -1.02 0.00 0.00 32.46 27.18 2b9n n ARG 81 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2b9n s ARG 82 N -5.96 0.22 0.00 5.56 0.52 -1.24 -5.08 118.95 112.97 2b9n s ARG 82 Ca 0.18 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2b9n s ARG 82 Cb -0.06 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.59 2b9n s ARG 82 CO 0.84 -0.59 0.00 0.54 0.02 0.00 0.00 175.30 176.11 2b9n n ARG 83 N 5.34 1.68 0.00 3.54 1.74 -1.26 -2.08 116.66 125.62 2b9n n ARG 83 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2b9n n ARG 83 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2b9n n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2b9n n THR 84 N 0.00 0.00 -3.66 0.55 -2.24 -1.02 -4.85 114.28 103.06 2b9n n THR 84 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2b9n n THR 84 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2b9n n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2b9n s GLY 85 N 0.00 -0.51 -0.02 3.38 0.00 -1.26 -2.16 107.32 106.75 2b9n s GLY 85 Ca 0.00 1.92 0.02 0.00 0.00 0.00 0.00 44.72 46.66 2b9n s GLY 85 CO 0.00 2.41 -0.05 0.30 0.00 0.00 0.00 173.10 175.75 2b9n s HIS 86 N 2.19 0.63 0.57 1.90 3.76 -1.26 -5.03 115.29 118.05 2b9n s HIS 86 Ca -0.06 -0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2b9n s HIS 86 Cb -0.10 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 33.13 2b9n s HIS 86 CO -0.16 -0.09 0.84 1.03 -0.85 0.00 0.00 174.74 175.51 2b9n s ARG 87 N 0.33 2.71 0.87 1.40 0.52 -1.26 -2.39 118.95 121.13 2b9n s ARG 87 Ca -0.04 -0.37 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 2b9n s ARG 87 Cb -0.08 -2.37 -0.16 0.00 0.52 0.00 0.00 34.95 32.85 2b9n s ARG 87 CO -0.00 -0.72 -1.29 1.04 0.02 0.00 0.00 175.30 174.35 2b9n n GLN 88 N -2.48 0.00 0.00 3.54 1.13 0.82 -4.95 117.38 115.44 2b9n n GLN 88 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2b9n n GLN 88 Cb 0.59 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 30.02 2b9n n GLN 88 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2b9n n ASN 89 N 3.18 0.00 0.00 1.08 3.02 -1.26 -4.98 115.26 116.30 2b9n n ASN 89 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2b9n n ASN 89 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2b9n n ASN 89 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2b9n n PHE 90 N -0.44 0.00 0.00 3.10 3.01 -1.26 -3.87 117.46 118.00 2b9n n PHE 90 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2b9n n PHE 90 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2b9n n PHE 90 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2b9n n THR 91 N 0.00 0.00 0.00 4.37 -2.24 -1.26 -4.25 114.28 110.90 2b9n n THR 91 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2b9n n THR 91 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2b9n n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b9n n ALA 92 N -3.00 0.00 -2.78 6.98 0.00 -1.18 -4.62 120.51 115.91 2b9n n ALA 92 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2b9n n ALA 92 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2b9n n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2b9n s ILE 93 N -2.01 5.23 0.51 0.00 1.09 -1.20 0.69 121.20 125.52 2b9n s ILE 93 Ca 0.00 0.12 -0.11 0.00 -1.10 0.00 0.00 60.65 59.55 2b9n s ILE 93 Cb 0.00 -3.35 -0.06 0.00 -1.06 0.00 0.00 42.46 38.00 2b9n s ILE 93 CO 0.00 0.49 0.91 -0.54 -0.10 0.00 0.00 174.94 175.70 2b9n s LYS 94 N 0.01 3.73 -0.29 2.79 1.02 -0.71 -3.34 119.74 122.95 2b9n s LYS 94 Ca 0.08 0.65 -0.18 0.00 0.02 0.00 0.00 55.97 56.54 2b9n s LYS 94 Cb -0.12 -2.22 0.15 0.00 -0.52 0.00 0.00 37.83 35.12 2b9n s LYS 94 CO -0.00 -0.29 1.05 0.42 -0.92 0.00 0.00 175.35 175.61 2b9n s ILE 95 N -2.75 0.00 0.72 2.17 1.09 -1.26 0.19 121.20 121.37 2b9n s ILE 95 Ca 0.54 0.00 -0.12 0.00 -1.10 0.00 0.00 60.65 59.97 2b9n s ILE 95 Cb -0.10 -1.00 0.03 0.00 -1.06 0.00 0.00 42.46 40.33 2b9n s ILE 95 CO 0.40 0.00 1.09 -1.48 -0.10 0.00 0.00 174.94 174.85 2b9n s LEU 96 N 1.01 3.15 -0.93 2.97 2.34 -1.16 -2.91 118.68 123.15 2b9n s LEU 96 Ca -0.06 1.82 -0.20 0.00 0.06 0.00 0.00 54.13 55.75 2b9n s LEU 96 Cb -0.04 -4.52 0.11 0.00 -0.56 0.00 0.00 46.19 41.18 2b9n s LEU 96 CO -0.13 -1.79 1.19 -0.83 -1.06 0.00 0.00 176.35 173.73 2b9n s GLY 97 N -3.27 1.73 -0.66 -3.48 0.00 -1.13 -3.36 107.32 97.15 2b9n s GLY 97 Ca 0.62 -2.58 -0.27 0.00 0.00 0.00 0.00 44.72 42.50 2b9n s GLY 97 CO 0.52 2.17 1.66 -0.42 0.00 0.00 0.00 173.10 177.03 2b9n s ILE 98 N 3.32 3.48 0.03 0.90 1.01 0.25 -3.76 121.20 126.43 2b9n s ILE 98 Ca 0.35 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 2b9n s ILE 98 Cb -0.05 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 2b9n s ILE 98 CO -0.08 -1.24 0.49 -1.10 0.00 0.00 0.00 174.94 173.01 2b9n s GLN 99 N 6.59 4.07 0.00 2.79 -0.21 -1.26 -0.57 119.66 131.08 2b9n s GLN 99 Ca 0.56 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.52 2b9n s GLN 99 Cb -0.11 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.67 2b9n s GLN 99 CO 0.18 0.65 0.00 0.41 -2.12 0.00 0.00 175.29 174.41