#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9u s GLU 1 N 0.00 2.71 -0.19 2.12 2.56 -1.26 -5.04 118.70 119.59 1x9u s GLU 1 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.97 54.14 1x9u s GLU 1 Cb 0.00 -2.31 -0.00 0.00 2.00 0.00 0.00 34.13 33.82 1x9u s GLU 1 CO 0.00 0.41 -0.10 -0.51 -0.56 0.00 0.00 175.26 174.50 1x9u s ASP 2 N -0.20 3.97 -0.16 -1.70 -0.00 -1.26 -0.85 116.67 116.47 1x9u s ASP 2 Ca -0.01 -0.44 -0.06 0.00 -0.00 0.00 0.00 52.55 52.04 1x9u s ASP 2 Cb -0.13 -1.65 -0.04 0.00 -0.00 0.00 0.00 42.92 41.10 1x9u s ASP 2 CO 0.03 0.02 0.05 -0.31 -0.00 0.00 0.00 175.17 174.97 1x9u s TYR 3 N 1.19 3.24 -0.47 4.23 1.51 -0.14 -4.97 117.35 121.93 1x9u s TYR 3 Ca 0.02 0.07 -0.20 0.00 -1.01 0.00 0.00 57.07 55.96 1x9u s TYR 3 Cb -0.14 -2.02 0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1x9u s TYR 3 CO -0.03 0.21 0.61 -0.51 -1.11 0.00 0.00 175.55 174.72 1x9u s ASP 4 N 0.11 6.26 0.09 2.29 1.01 -1.26 -0.38 116.67 124.78 1x9u s ASP 4 Ca 0.04 -0.66 -0.31 0.00 0.71 0.00 0.00 52.55 52.33 1x9u s ASP 4 Cb -0.12 -2.29 -0.10 0.00 1.01 0.00 0.00 42.92 41.42 1x9u s ASP 4 CO 0.01 -0.82 1.84 -0.69 0.21 0.00 0.00 175.17 175.73 1x9u s VAL 5 N 2.66 2.76 0.00 -1.27 1.01 -0.49 -1.08 120.40 124.00 1x9u s VAL 5 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1x9u s VAL 5 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1x9u s VAL 5 CO 0.15 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1x9u n GLY 6 N 4.29 0.40 7.00 4.51 0.00 -1.26 -3.22 105.19 116.91 1x9u n GLY 6 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1x9u n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x9u n GLY 7 N -2.00 2.45 0.29 -0.02 0.00 -0.24 -2.05 105.19 103.63 1x9u n GLY 7 Ca 0.00 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.73 1x9u n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x9u h ASP 8 N 7.23 0.00 1.89 1.61 3.32 -1.93 -0.95 116.42 127.59 1x9u h ASP 8 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x9u h ASP 8 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x9u h ASP 8 CO 0.00 0.03 0.00 0.24 -1.72 0.00 0.00 179.24 177.79 1x9u h MET 9 N 0.00 0.00 0.00 3.56 2.86 -1.76 -3.49 114.93 116.09 1x9u h MET 9 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1x9u h MET 9 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1x9u h MET 9 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1x9u n GLU 10 N -2.99 0.00 -3.18 1.72 1.02 -0.36 -4.50 120.64 112.34 1x9u n GLU 10 Ca 0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 1x9u n GLU 10 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.86 1x9u n GLU 10 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1x9u s TRP 11 N 0.00 3.08 0.33 -0.32 -0.00 -0.87 -4.20 118.94 116.97 1x9u s TRP 11 Ca 0.00 -0.37 -0.18 0.00 -0.00 0.00 0.00 56.10 55.55 1x9u s TRP 11 Cb 0.00 -3.33 0.04 0.00 -0.00 0.00 0.00 33.47 30.17 1x9u s TRP 11 CO 0.00 -0.91 0.75 -1.59 -0.00 0.00 0.00 176.95 175.20 1x9u s LYS 12 N 2.56 2.01 -0.29 5.86 -2.85 -1.26 -4.58 119.74 121.19 1x9u s LYS 12 Ca 0.16 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.62 1x9u s LYS 12 Cb -0.17 0.61 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1x9u s LYS 12 CO 0.14 -0.93 1.62 0.50 0.10 0.00 0.00 175.35 176.78 1x9u s ARG 13 N -3.11 3.62 0.50 1.78 3.52 -1.26 -4.77 118.95 119.23 1x9u s ARG 13 Ca 0.14 1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 56.99 1x9u s ARG 13 Cb -0.05 -4.08 -0.08 0.00 -1.56 0.00 0.00 34.95 29.18 1x9u s ARG 13 CO 0.09 -1.51 1.02 -1.25 -0.81 0.00 0.00 175.30 172.84 1x9u s PRO 14 N 5.00 3.81 0.12 5.12 0.04 -1.26 -4.97 135.00 142.85 1x9u s PRO 14 Ca 0.72 1.23 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1x9u s PRO 14 Cb -0.22 -2.10 -0.18 0.00 0.04 0.00 0.00 34.50 32.04 1x9u s PRO 14 CO 0.31 -0.41 1.23 0.77 0.04 0.00 0.00 177.00 178.94 1x9u h SER 15 N 1.31 0.00 -3.18 6.66 0.02 -1.94 -3.43 113.55 113.00 1x9u h SER 15 Ca -0.48 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 1x9u h SER 15 Cb 1.21 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.42 1x9u h SER 15 CO 0.59 0.94 -0.82 -0.62 -1.14 0.00 0.00 176.83 175.78 1x9u s ASP 16 N -6.61 3.50 0.32 3.07 2.15 -1.26 -5.01 116.67 112.84 1x9u s ASP 16 Ca 0.01 -0.60 0.17 0.00 0.43 0.00 0.00 52.55 52.56 1x9u s ASP 16 Cb 0.10 -1.56 0.93 0.00 -0.30 0.00 0.00 42.92 42.08 1x9u s ASP 16 CO 0.81 -0.01 1.47 -0.81 -0.17 0.00 0.00 175.17 176.46 1x9u n PRO 17 N 4.67 0.11 0.00 4.34 -0.04 -1.25 -1.40 135.00 141.43 1x9u n PRO 17 Ca -0.20 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1x9u n PRO 17 Cb 0.50 -2.03 0.35 0.00 -0.04 0.00 0.00 33.50 32.29 1x9u n PRO 17 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x9u n LYS 18 N -2.15 1.13 -0.27 0.54 4.76 -1.26 -4.61 118.16 116.30 1x9u n LYS 18 Ca -0.01 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 1x9u n LYS 18 Cb 0.19 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1x9u n LYS 18 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1x9u h PHE 19 N 1.75 -0.63 0.00 2.13 3.57 -1.56 0.06 116.94 122.26 1x9u h PHE 19 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1x9u h PHE 19 Cb 0.55 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1x9u h PHE 19 CO 0.00 -0.36 0.00 1.88 -2.23 0.00 0.00 178.31 177.60 1x9u h TYR 20 N -0.04 0.00 -0.20 0.41 0.05 -1.81 -1.35 116.97 114.03 1x9u h TYR 20 Ca 0.34 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.06 1x9u h TYR 20 Cb 0.58 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 1x9u h TYR 20 CO -0.66 0.00 -0.10 0.82 -1.05 0.00 0.00 178.16 177.16 1x9u h ILE 21 N 0.00 1.31 -0.66 -2.88 2.04 -1.35 -1.99 117.51 113.98 1x9u h ILE 21 Ca 0.00 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1x9u h ILE 21 Cb 0.95 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1x9u h ILE 21 CO 0.00 0.36 0.38 0.74 0.00 0.00 0.00 178.15 179.63 1x9u h THR 22 N 0.11 1.20 -0.81 -0.27 2.02 -0.96 -2.38 112.91 111.82 1x9u h THR 22 Ca 0.04 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1x9u h THR 22 Cb 0.60 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1x9u h THR 22 CO 0.03 0.21 0.44 -0.25 0.37 0.00 0.00 175.52 176.33 1x9u h TRP 23 N 0.90 1.11 0.00 3.16 7.01 -1.20 -2.15 115.95 124.79 1x9u h TRP 23 Ca 0.24 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.21 1x9u h TRP 23 Cb 0.01 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.71 1x9u h TRP 23 CO -0.01 0.78 0.00 0.00 -2.79 0.00 0.00 178.44 176.42 1x9u h ALA 24 N 1.23 1.00 -2.67 2.65 0.00 -1.15 -3.45 119.26 116.87 1x9u h ALA 24 Ca 0.28 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.67 1x9u h ALA 24 Cb 0.04 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.88 1x9u h ALA 24 CO -0.05 0.00 0.92 0.99 0.00 0.00 0.00 179.25 181.11 1x9u s THR 25 N -3.41 2.34 0.00 0.00 2.01 -0.81 -2.23 115.64 113.55 1x9u s THR 25 Ca 0.04 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1x9u s THR 25 Cb 0.09 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1x9u s THR 25 CO 0.54 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1x9u n GLY 26 N 3.46 0.86 3.66 4.40 0.00 -1.26 -5.02 105.19 111.28 1x9u n GLY 26 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1x9u n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9u s LYS 27 N -0.26 3.42 -0.33 1.61 1.02 -0.94 -5.07 119.74 119.19 1x9u s LYS 27 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 1x9u s LYS 27 Cb 0.00 -2.98 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1x9u s LYS 27 CO 0.00 0.52 0.08 0.99 -0.92 0.00 0.00 175.35 176.02 1x9u s THR 28 N -0.36 3.52 -0.19 2.17 2.01 -1.26 -5.03 115.64 116.50 1x9u s THR 28 Ca 0.08 -1.26 -0.23 0.00 0.31 0.00 0.00 61.69 60.59 1x9u s THR 28 Cb -0.12 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1x9u s THR 28 CO 0.02 -0.18 0.73 -0.36 -0.69 0.00 0.00 174.62 174.14 1x9u s PHE 29 N 1.34 3.39 0.08 4.92 0.40 -1.26 -5.01 117.98 121.85 1x9u s PHE 29 Ca -0.02 1.08 0.06 0.00 -0.60 0.00 0.00 56.93 57.45 1x9u s PHE 29 Cb -0.20 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 1x9u s PHE 29 CO 0.01 -0.22 -0.06 1.03 0.70 0.00 0.00 175.22 176.68 1x9u s ARG 30 N 2.08 2.33 0.28 0.44 0.52 -1.26 -0.52 118.95 122.82 1x9u s ARG 30 Ca 0.33 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 1x9u s ARG 30 Cb -0.16 -2.41 -0.13 0.00 0.52 0.00 0.00 34.95 32.77 1x9u s ARG 30 CO 0.11 0.53 1.35 0.28 0.02 0.00 0.00 175.30 177.59 1x9u n VAL 31 N 0.79 1.40 0.00 3.52 0.31 -0.41 -1.02 118.33 122.92 1x9u n VAL 31 Ca -0.13 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1x9u n VAL 31 Cb 0.52 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1x9u n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x9u n GLY 32 N 1.59 1.31 3.91 2.92 0.00 0.13 -4.78 105.19 110.27 1x9u n GLY 32 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1x9u n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x9u s ASP 33 N -1.67 3.88 0.05 1.61 1.01 -0.19 -2.81 116.67 118.55 1x9u s ASP 33 Ca 0.00 0.55 0.01 0.00 0.71 0.00 0.00 52.55 53.82 1x9u s ASP 33 Cb 0.00 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 1x9u s ASP 33 CO 0.00 -2.28 -0.06 -0.70 0.21 0.00 0.00 175.17 172.34 1x9u s GLU 34 N -5.72 0.57 -0.04 8.23 2.12 -0.03 -0.58 118.70 123.26 1x9u s GLU 34 Ca 0.67 -0.95 0.07 0.00 0.36 0.00 0.00 54.97 55.13 1x9u s GLU 34 Cb -0.08 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 1x9u s GLU 34 CO 0.51 -0.01 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.45 1x9u s LEU 35 N -2.14 2.08 -0.09 2.70 1.43 -0.23 -0.97 118.68 121.46 1x9u s LEU 35 Ca -0.03 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1x9u s LEU 35 Cb -0.03 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1x9u s LEU 35 CO -0.03 0.29 -0.21 -0.70 0.23 0.00 0.00 176.35 175.93 1x9u s GLU 36 N -0.45 2.72 -0.27 1.70 2.12 0.49 -0.96 118.70 124.05 1x9u s GLU 36 Ca 0.05 -0.78 -0.05 0.00 0.36 0.00 0.00 54.97 54.56 1x9u s GLU 36 Cb -0.11 -2.09 0.01 0.00 0.26 0.00 0.00 34.13 32.20 1x9u s GLU 36 CO 0.01 0.16 0.02 -0.06 -0.54 0.00 0.00 175.26 174.84 1x9u s PHE 37 N 0.38 3.11 -0.11 5.30 0.40 0.33 -1.40 117.98 125.99 1x9u s PHE 37 Ca -0.17 -1.20 -0.02 0.00 -0.60 0.00 0.00 56.93 54.94 1x9u s PHE 37 Cb -0.17 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1x9u s PHE 37 CO 0.08 -0.63 -0.02 -0.51 0.70 0.00 0.00 175.22 174.84 1x9u s ASP 38 N 1.43 5.03 0.10 1.36 1.01 -1.26 -1.10 116.67 123.24 1x9u s ASP 38 Ca 0.02 0.04 -0.27 0.00 0.71 0.00 0.00 52.55 53.05 1x9u s ASP 38 Cb -0.17 -1.53 0.08 0.00 1.01 0.00 0.00 42.92 42.31 1x9u s ASP 38 CO -0.01 0.31 1.06 0.72 0.21 0.00 0.00 175.17 177.46 1x9u s PHE 39 N -0.45 -0.10 -0.03 4.23 -0.12 -1.26 -2.04 117.98 118.20 1x9u s PHE 39 Ca 0.08 -0.14 -0.25 0.00 -0.05 0.00 0.00 56.93 56.56 1x9u s PHE 39 Cb -0.12 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1x9u s PHE 39 CO 0.02 -0.66 0.79 0.00 -0.05 0.00 0.00 175.22 175.32 1x9u s ALA 40 N -3.02 3.29 0.25 1.99 0.00 -1.26 -4.70 121.76 118.30 1x9u s ALA 40 Ca 0.13 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1x9u s ALA 40 Cb 0.00 -3.07 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 1x9u s ALA 40 CO 0.00 -0.11 1.00 0.00 0.00 0.00 0.00 175.76 176.66 1x9u n ALA 41 N 3.63 -0.63 -0.26 0.00 0.00 -1.26 -1.48 120.51 120.51 1x9u n ALA 41 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1x9u n ALA 41 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1x9u n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9u n GLY 42 N 1.51 1.33 0.07 0.00 0.00 -1.26 -4.78 105.19 102.06 1x9u n GLY 42 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1x9u n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x9u n MET 43 N -2.00 0.65 -3.96 1.61 2.81 -0.55 -4.99 117.12 110.69 1x9u n MET 43 Ca 0.00 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 1x9u n MET 43 Cb 0.00 -1.65 -0.05 0.00 -0.71 0.00 0.00 33.22 30.80 1x9u n MET 43 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1x9u s HIS 44 N -3.03 0.30 0.04 2.03 3.76 -1.24 -4.89 115.29 112.26 1x9u s HIS 44 Ca -0.06 -0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1x9u s HIS 44 Cb 0.10 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1x9u s HIS 44 CO 0.84 -0.95 0.06 -0.40 -0.85 0.00 0.00 174.74 173.45 1x9u n ASP 45 N -0.36 -0.18 -3.87 1.40 5.68 -1.26 -4.89 116.55 113.07 1x9u n ASP 45 Ca -0.03 -1.21 -0.19 0.00 -0.50 0.00 0.00 54.79 52.86 1x9u n ASP 45 Cb 0.62 0.33 -0.16 0.00 -1.14 0.00 0.00 41.12 40.77 1x9u n ASP 45 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x9u s VAL 46 N -2.58 0.42 -0.09 2.12 1.01 -0.54 -4.34 120.40 116.40 1x9u s VAL 46 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1x9u s VAL 46 Cb -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1x9u s VAL 46 CO 0.02 0.20 -0.17 0.00 0.00 0.00 0.00 175.10 175.15 1x9u s ALA 47 N 0.96 1.71 -0.25 5.51 0.00 -0.23 -0.27 121.76 129.20 1x9u s ALA 47 Ca -0.10 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1x9u s ALA 47 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1x9u s ALA 47 CO -0.01 0.13 0.47 0.08 0.00 0.00 0.00 175.76 176.43 1x9u s VAL 48 N 0.63 5.11 0.35 0.00 1.01 0.35 -1.48 120.40 126.38 1x9u s VAL 48 Ca -0.14 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1x9u s VAL 48 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1x9u s VAL 48 CO 0.04 0.14 0.11 0.68 0.00 0.00 0.00 175.10 176.07 1x9u s VAL 49 N 2.02 0.73 0.80 2.92 -7.23 -0.39 0.38 120.40 119.64 1x9u s VAL 49 Ca 0.20 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 1x9u s VAL 49 Cb -0.15 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.31 1x9u s VAL 49 CO 0.09 0.00 1.13 0.42 -0.31 0.00 0.00 175.10 176.44 1x9u s THR 50 N -3.36 2.59 0.25 5.32 -4.23 -1.26 -4.18 115.64 110.77 1x9u s THR 50 Ca 0.31 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1x9u s THR 50 Cb 0.05 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 71.04 1x9u s THR 50 CO 0.15 -0.25 1.87 0.50 -0.54 0.00 0.00 174.62 176.35 1x9u h LYS 51 N -1.04 1.05 -0.38 3.99 3.64 -1.98 -0.72 116.57 121.13 1x9u h LYS 51 Ca -0.47 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.72 1x9u h LYS 51 Cb 1.30 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1x9u h LYS 51 CO 0.63 0.69 -0.30 0.22 -2.27 0.00 0.00 179.45 178.43 1x9u h ASP 52 N 1.08 0.84 -0.56 4.20 1.82 -2.00 -0.96 116.42 120.85 1x9u h ASP 52 Ca 0.40 -0.34 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1x9u h ASP 52 Cb 0.16 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1x9u h ASP 52 CO -0.17 1.08 0.19 0.00 -1.61 0.00 0.00 179.24 178.73 1x9u h ALA 53 N 0.97 1.20 0.42 -0.78 0.00 -1.81 -2.02 119.26 117.24 1x9u h ALA 53 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1x9u h ALA 53 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x9u h ALA 53 CO 0.07 0.56 -0.20 0.35 0.00 0.00 0.00 179.25 180.03 1x9u h PHE 54 N 0.88 -0.52 -0.89 0.00 3.57 -0.83 0.59 116.94 119.74 1x9u h PHE 54 Ca 0.20 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1x9u h PHE 54 Cb 0.25 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1x9u h PHE 54 CO 0.02 -0.22 0.58 -0.44 -2.23 0.00 0.00 178.31 176.02 1x9u h ASP 55 N -0.79 0.87 -0.57 0.41 3.32 -1.11 -2.84 116.42 115.71 1x9u h ASP 55 Ca -0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1x9u h ASP 55 Cb 0.54 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1x9u h ASP 55 CO 0.09 0.55 0.00 0.59 -1.72 0.00 0.00 179.24 178.76 1x9u n ASN 56 N -4.50 3.63 -3.95 6.45 3.02 -0.77 -4.99 115.26 114.16 1x9u n ASN 56 Ca 0.14 -1.98 -0.27 0.00 -0.03 0.00 0.00 54.58 52.44 1x9u n ASN 56 Cb 0.22 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1x9u n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x9u s LYS 58 N -6.53 3.83 0.14 0.00 2.36 0.19 -4.93 119.74 114.81 1x9u s LYS 58 Ca 0.19 0.66 0.04 0.00 -2.55 0.00 0.00 55.97 54.30 1x9u s LYS 58 Cb -0.10 -3.83 -0.10 0.00 -1.05 0.00 0.00 37.83 32.76 1x9u s LYS 58 CO 0.88 -1.09 1.32 0.87 1.55 0.00 0.00 175.35 178.88 1x9u h LYS 59 N 8.65 0.11 -6.96 4.03 1.57 -1.90 -3.46 116.57 118.61 1x9u h LYS 59 Ca -0.23 -0.14 -0.50 0.00 -1.87 0.00 0.00 60.65 57.92 1x9u h LYS 59 Cb 1.07 0.05 0.04 0.00 0.08 0.00 0.00 32.23 33.46 1x9u h LYS 59 CO 1.04 0.98 0.45 -1.21 -0.57 0.00 0.00 179.45 180.14 1x9u s GLU 60 N -2.96 4.06 -1.32 3.15 8.01 -1.26 -4.22 118.70 124.16 1x9u s GLU 60 Ca -0.01 1.67 -0.01 0.00 0.01 0.00 0.00 54.97 56.62 1x9u s GLU 60 Cb 0.10 -2.57 -0.00 0.00 -4.31 0.00 0.00 34.13 27.35 1x9u s GLU 60 CO 0.83 -0.27 0.62 0.09 0.01 0.00 0.00 175.26 176.54 1x9u n ASN 61 N -0.08 -1.18 -4.71 -0.19 3.02 -1.26 -4.98 115.26 105.88 1x9u n ASN 61 Ca 0.05 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.43 1x9u n ASN 61 Cb 0.48 -3.73 0.16 0.00 -0.61 0.00 0.00 39.78 36.09 1x9u n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x9u s PRO 62 N -6.13 0.68 0.12 3.52 0.04 -1.26 -4.96 135.00 127.01 1x9u s PRO 62 Ca 0.03 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 1x9u s PRO 62 Cb -0.01 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x9u s PRO 62 CO 0.84 -2.53 1.50 0.82 0.04 0.00 0.00 177.00 177.67 1x9u h ILE 63 N -1.74 1.28 -3.82 0.56 2.04 -0.43 -3.46 117.51 111.93 1x9u h ILE 63 Ca -0.53 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 1x9u h ILE 63 Cb 1.33 1.31 -0.13 0.00 -0.74 0.00 0.00 36.82 38.59 1x9u h ILE 63 CO 0.59 0.42 -0.32 -0.44 0.00 0.00 0.00 178.15 178.40 1x9u s SER 64 N -6.46 0.05 -0.23 1.72 0.01 -1.08 -4.97 113.70 102.75 1x9u s SER 64 Ca -0.12 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.29 1x9u s SER 64 Cb 0.10 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.83 1x9u s SER 64 CO 0.83 -0.83 0.51 -2.28 0.41 0.00 0.00 173.24 171.88 1x9u s HIS 65 N -3.92 -0.94 -0.05 2.43 2.46 -1.26 -0.49 115.29 113.52 1x9u s HIS 65 Ca 0.12 1.77 0.03 0.00 0.47 0.00 0.00 55.06 57.44 1x9u s HIS 65 Cb 0.04 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 1x9u s HIS 65 CO -0.05 -0.51 -0.13 0.00 -2.47 0.00 0.00 174.74 171.58 1x9u s MET 66 N 2.35 1.53 -0.01 2.88 0.23 0.63 -5.01 119.30 121.91 1x9u s MET 66 Ca -0.05 -0.45 0.11 0.00 -1.03 0.00 0.00 55.69 54.27 1x9u s MET 66 Cb -0.10 -1.32 -0.15 0.00 -1.53 0.00 0.00 34.83 31.72 1x9u s MET 66 CO -0.15 0.12 0.33 0.25 -2.03 0.00 0.00 175.02 173.55 1x9u n THR 67 N 3.45 0.00 -3.94 3.16 -2.24 -1.26 -1.47 114.28 111.97 1x9u n THR 67 Ca -0.20 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 1x9u n THR 67 Cb 0.53 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1x9u n THR 67 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x9u s THR 68 N -2.49 5.06 0.32 4.28 -4.23 -1.26 -4.41 115.64 112.91 1x9u s THR 68 Ca -0.01 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 1x9u s THR 68 Cb 0.08 -3.26 -0.06 0.00 1.34 0.00 0.00 72.50 70.60 1x9u s THR 68 CO 0.46 0.50 0.63 -2.16 -0.54 0.00 0.00 174.62 173.52 1x9u s PRO 69 N -0.05 3.71 0.42 3.99 0.04 -1.26 -4.10 135.00 137.75 1x9u s PRO 69 Ca 0.08 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.20 1x9u s PRO 69 Cb -0.12 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 1x9u s PRO 69 CO 0.01 0.14 0.82 -1.25 0.04 0.00 0.00 177.00 176.75 1x9u s PRO 70 N -3.54 3.85 -0.27 0.56 0.04 -1.26 -5.04 135.00 129.33 1x9u s PRO 70 Ca 0.47 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1x9u s PRO 70 Cb -0.11 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1x9u s PRO 70 CO 0.29 -0.07 0.30 0.08 0.04 0.00 0.00 177.00 177.64 1x9u s VAL 71 N -2.38 5.23 -0.19 -0.36 1.01 -0.26 -4.92 120.40 118.53 1x9u s VAL 71 Ca 0.53 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 1x9u s VAL 71 Cb -0.10 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1x9u s VAL 71 CO 0.29 0.20 -0.07 -0.54 0.00 0.00 0.00 175.10 174.99 1x9u s LYS 72 N 1.90 3.40 -0.08 2.72 1.02 -1.26 -0.51 119.74 126.92 1x9u s LYS 72 Ca 0.12 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1x9u s LYS 72 Cb -0.16 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1x9u s LYS 72 CO 0.10 -0.04 -0.09 0.42 -0.92 0.00 0.00 175.35 174.82 1x9u s ILE 73 N 1.06 1.00 0.25 2.17 1.01 -0.14 -4.97 121.20 121.58 1x9u s ILE 73 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 1x9u s ILE 73 Cb -0.15 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.26 1x9u s ILE 73 CO -0.01 0.34 0.86 -0.04 0.00 0.00 0.00 174.94 176.10 1x9u s MET 74 N 1.17 4.58 -0.85 2.79 -1.94 -1.26 -1.07 119.30 122.71 1x9u s MET 74 Ca -0.05 1.24 -0.14 0.00 -1.71 0.00 0.00 55.69 55.02 1x9u s MET 74 Cb -0.14 -3.03 0.22 0.00 2.01 0.00 0.00 34.83 33.90 1x9u s MET 74 CO -0.02 0.42 0.80 -0.51 -0.01 0.00 0.00 175.02 175.70 1x9u s LEU 75 N -1.64 6.73 -0.05 -0.03 1.43 0.25 -4.86 118.68 120.52 1x9u s LEU 75 Ca 0.43 -2.76 0.17 0.00 -1.03 0.00 0.00 54.13 50.94 1x9u s LEU 75 Cb -0.21 -2.21 0.55 0.00 0.03 0.00 0.00 46.19 44.35 1x9u s LEU 75 CO 0.26 -0.55 1.47 0.59 0.23 0.00 0.00 176.35 178.34 1x9u n ASN 76 N 3.88 3.86 -3.81 2.29 3.02 -1.26 0.19 115.26 123.43 1x9u n ASN 76 Ca 0.15 -2.22 -0.14 0.00 -0.03 0.00 0.00 54.58 52.34 1x9u n ASN 76 Cb 0.46 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 39.04 1x9u n ASN 76 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x9u s THR 77 N -1.40 -0.04 0.76 3.41 -4.23 -1.26 -4.85 115.64 108.03 1x9u s THR 77 Ca 0.41 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 1x9u s THR 77 Cb 0.24 -0.05 0.05 0.00 1.34 0.00 0.00 72.50 74.08 1x9u s THR 77 CO 0.23 0.05 1.09 0.42 -0.54 0.00 0.00 174.62 175.87 1x9u s THR 78 N 0.66 3.43 0.00 3.99 -4.23 -1.26 -4.74 115.64 113.49 1x9u s THR 78 Ca -0.05 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1x9u s THR 78 Cb -0.08 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1x9u s THR 78 CO -0.02 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1x9u n GLY 79 N -1.32 -0.89 3.74 3.99 0.00 0.61 -4.85 105.19 106.47 1x9u n GLY 79 Ca 0.09 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1x9u n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x9u s PRO 80 N -0.95 4.44 -0.03 1.61 0.04 -1.26 0.22 135.00 139.07 1x9u s PRO 80 Ca 0.00 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1x9u s PRO 80 Cb 0.00 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1x9u s PRO 80 CO 0.00 -0.15 -0.16 -0.65 0.04 0.00 0.00 177.00 176.07 1x9u s GLN 81 N -0.34 1.62 -0.07 4.56 1.11 -0.56 -4.94 119.66 121.05 1x9u s GLN 81 Ca 0.54 -0.58 0.03 0.00 0.01 0.00 0.00 55.36 55.36 1x9u s GLN 81 Cb -0.35 -1.45 0.00 0.00 -1.01 0.00 0.00 33.01 30.21 1x9u s GLN 81 CO 0.39 0.26 -0.17 0.71 0.01 0.00 0.00 175.29 176.49 1x9u s TYR 82 N -0.05 1.80 0.02 0.91 1.51 -1.26 -1.62 117.35 118.67 1x9u s TYR 82 Ca -0.01 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1x9u s TYR 82 Cb -0.10 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1x9u s TYR 82 CO 0.01 -0.28 -0.07 0.71 -1.11 0.00 0.00 175.55 174.82 1x9u s TYR 83 N 0.39 0.63 0.05 2.71 1.51 0.13 -1.26 117.35 121.50 1x9u s TYR 83 Ca -0.12 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1x9u s TYR 83 Cb -0.15 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1x9u s TYR 83 CO 0.04 -0.03 -0.04 0.96 -1.11 0.00 0.00 175.55 175.37 1x9u s ILE 84 N -0.63 0.31 -0.09 2.71 -4.36 -0.55 -0.23 121.20 118.36 1x9u s ILE 84 Ca -0.02 -1.52 -0.14 0.00 -0.26 0.00 0.00 60.65 58.72 1x9u s ILE 84 Cb -0.05 -1.12 -0.05 0.00 1.25 0.00 0.00 42.46 42.49 1x9u s ILE 84 CO 0.00 -0.78 0.33 0.00 0.24 0.00 0.00 174.94 174.73 1x9u n THR 86 N 2.75 0.69 -2.90 0.00 -2.24 -1.26 -3.60 114.28 107.72 1x9u n THR 86 Ca -0.13 -0.79 -0.41 0.00 -2.27 0.00 0.00 64.05 60.45 1x9u n THR 86 Cb 0.52 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1x9u n THR 86 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x9u s VAL 87 N -1.31 4.87 0.00 2.28 1.01 -1.26 -4.93 120.40 121.05 1x9u s VAL 87 Ca 0.41 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1x9u s VAL 87 Cb 0.22 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1x9u s VAL 87 CO 0.30 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1x9u n GLY 88 N 2.79 2.43 0.78 4.51 0.00 -1.26 -2.07 105.19 112.38 1x9u n GLY 88 Ca 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1x9u n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x9u n ASP 89 N 0.91 2.36 -0.22 1.61 5.75 -1.26 -4.63 116.55 121.06 1x9u n ASP 89 Ca 0.00 -1.82 0.02 0.00 -0.01 0.00 0.00 54.79 52.98 1x9u n ASP 89 Cb 0.00 -0.15 0.12 0.00 -1.03 0.00 0.00 41.12 40.06 1x9u n ASP 89 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1x9u h HIS 90 N 3.14 -0.06 -0.49 2.11 -0.00 -1.72 -1.50 115.15 116.63 1x9u h HIS 90 Ca 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1x9u h HIS 90 Cb 0.69 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 1x9u h HIS 90 CO 0.15 -0.20 0.26 0.00 -0.00 0.00 0.00 177.93 178.14 1x9u h ARG 92 N 0.65 0.00 -0.34 0.00 3.08 -1.64 -0.75 114.38 115.39 1x9u h ARG 92 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1x9u h ARG 92 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1x9u h ARG 92 CO -0.03 0.18 0.00 1.33 -1.07 0.00 0.00 179.97 180.38 1x9u n VAL 93 N -4.22 0.44 0.00 2.04 0.24 -0.79 -4.94 118.33 111.11 1x9u n VAL 93 Ca -0.02 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1x9u n VAL 93 Cb 0.25 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1x9u n VAL 93 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x9u n GLY 94 N 1.23 1.07 3.52 7.63 0.00 -0.29 -3.78 105.19 114.57 1x9u n GLY 94 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1x9u n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x9u s GLN 95 N -0.31 3.74 0.03 1.61 0.74 0.32 -4.61 119.66 121.18 1x9u s GLN 95 Ca 0.00 -1.68 -0.28 0.00 0.05 0.00 0.00 55.36 53.45 1x9u s GLN 95 Cb 0.00 -5.21 0.07 0.00 1.10 0.00 0.00 33.01 28.97 1x9u s GLN 95 CO 0.00 -2.02 0.66 -1.59 -0.55 0.00 0.00 175.29 171.79 1x9u s LYS 96 N 3.65 1.13 -0.01 1.67 -2.85 -1.26 -2.15 119.74 119.92 1x9u s LYS 96 Ca 0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 1x9u s LYS 96 Cb -0.01 0.53 0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1x9u s LYS 96 CO -0.05 -0.41 0.01 -1.17 0.10 0.00 0.00 175.35 173.82 1x9u s LEU 97 N -1.80 1.50 -0.12 2.77 2.96 0.68 -4.67 118.68 120.00 1x9u s LEU 97 Ca -0.06 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1x9u s LEU 97 Cb -0.00 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.61 1x9u s LEU 97 CO 0.01 -0.06 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.28 1x9u s SER 98 N 0.59 2.48 0.23 3.68 0.15 -1.26 -0.70 113.70 118.87 1x9u s SER 98 Ca -0.05 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1x9u s SER 98 Cb -0.08 -1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 63.09 1x9u s SER 98 CO -0.01 -0.01 0.05 0.27 1.20 0.00 0.00 173.24 174.74 1x9u s ILE 99 N 1.13 0.72 -0.19 6.45 -4.36 -0.64 -5.01 121.20 119.30 1x9u s ILE 99 Ca -0.03 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1x9u s ILE 99 Cb -0.14 -2.44 0.05 0.00 1.25 0.00 0.00 42.46 41.18 1x9u s ILE 99 CO -0.04 -0.20 -0.01 0.21 0.24 0.00 0.00 174.94 175.15 1x9u s ASN 100 N -3.28 3.06 0.10 4.36 2.47 -1.26 -1.49 114.94 118.90 1x9u s ASN 100 Ca 0.32 -0.84 -0.30 0.00 0.42 0.00 0.00 52.86 52.46 1x9u s ASN 100 Cb 0.07 -0.80 -0.06 0.00 -1.45 0.00 0.00 41.25 39.01 1x9u s ASN 100 CO 0.10 -0.26 0.96 -0.69 -3.72 0.00 0.00 177.10 173.50 1x9u s VAL 101 N 1.70 4.52 0.45 -5.21 1.01 0.13 -4.45 120.40 118.55 1x9u s VAL 101 Ca -0.02 2.07 0.03 0.00 0.00 0.00 0.00 61.98 64.06 1x9u s VAL 101 Cb -0.17 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1x9u s VAL 101 CO -0.07 0.31 0.05 0.68 0.00 0.00 0.00 175.10 176.06 1x9u s VAL 102 N 0.07 1.05 0.00 2.92 -7.23 0.32 -0.28 120.40 117.25 1x9u s VAL 102 Ca 0.47 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1x9u s VAL 102 Cb -0.23 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1x9u s VAL 102 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70