#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4h s PHE 3 N 0.00 1.29 0.04 -0.67 0.40 -1.26 -1.11 117.98 116.67 2r4h s PHE 3 Ca 0.00 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 2r4h s PHE 3 Cb 0.00 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.68 2r4h s PHE 3 CO 0.00 -0.12 0.42 1.52 0.70 0.00 0.00 175.22 177.74 2r4h s TYR 4 N 0.09 -0.28 0.04 0.36 -0.85 -0.68 -5.00 117.35 111.04 2r4h s TYR 4 Ca -0.03 0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.79 2r4h s TYR 4 Cb -0.10 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 2r4h s TYR 4 CO 0.01 -0.57 0.06 0.95 -1.52 0.00 0.00 175.55 174.48 2r4h s THR 5 N -2.42 4.49 -0.06 -3.49 -4.23 -1.26 -0.61 115.64 108.06 2r4h s THR 5 Ca -0.06 -0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2r4h s THR 5 Cb -0.01 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2r4h s THR 5 CO -0.02 0.24 0.21 0.54 -0.54 0.00 0.00 174.62 175.05 2r4h s VAL 6 N -1.27 0.02 -0.08 2.29 0.11 -0.52 -5.01 120.40 115.95 2r4h s VAL 6 Ca 0.25 -0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 2r4h s VAL 6 Cb -0.12 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2r4h s VAL 6 CO 0.17 -0.08 -0.24 -1.61 -3.33 0.00 0.00 175.10 170.00 2r4h s GLU 7 N -0.24 2.77 -0.05 1.54 8.01 -1.26 -0.66 118.70 128.81 2r4h s GLU 7 Ca -0.03 -0.89 0.05 0.00 0.01 0.00 0.00 54.97 54.11 2r4h s GLU 7 Cb -0.03 -2.22 -0.02 0.00 -4.31 0.00 0.00 34.13 27.56 2r4h s GLU 7 CO 0.01 0.29 -0.21 -0.51 0.01 0.00 0.00 175.26 174.84 2r4h s LEU 8 N 0.07 2.31 -0.15 1.80 1.43 0.69 -4.99 118.68 119.85 2r4h s LEU 8 Ca -0.11 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2r4h s LEU 8 Cb -0.16 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2r4h s LEU 8 CO 0.06 0.29 0.31 -1.61 0.23 0.00 0.00 176.35 175.64 2r4h s GLU 9 N -0.42 4.22 0.33 1.70 8.01 -1.26 -1.22 118.70 130.05 2r4h s GLU 9 Ca 0.04 0.14 -0.29 0.00 0.01 0.00 0.00 54.97 54.88 2r4h s GLU 9 Cb -0.12 -3.41 -0.10 0.00 -4.31 0.00 0.00 34.13 26.19 2r4h s GLU 9 CO 0.01 0.27 1.38 0.50 0.01 0.00 0.00 175.26 177.44 2r4h s ARG 10 N 0.35 4.27 0.00 1.61 3.52 -0.33 -4.76 118.95 123.61 2r4h s ARG 10 Ca 0.18 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 2r4h s ARG 10 Cb -0.13 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2r4h s ARG 10 CO 0.05 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2r4h n GLY 11 N 1.00 3.69 0.17 8.12 0.00 -0.11 -4.94 105.19 113.13 2r4h n GLY 11 Ca 0.02 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.93 2r4h n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r4h h ALA 12 N 0.53 1.27 -0.56 4.61 0.00 -2.03 -1.90 119.26 121.18 2r4h h ALA 12 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2r4h h ALA 12 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 2r4h h ALA 12 CO 0.00 0.54 0.14 1.63 0.00 0.00 0.00 179.25 181.56 2r4h n LYS 13 N -4.00 3.38 0.00 0.00 5.02 -1.26 -5.08 118.16 116.22 2r4h n LYS 13 Ca -0.02 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 2r4h n LYS 13 Cb 0.46 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2r4h n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r4h n GLY 14 N -0.32 -1.01 0.15 0.72 0.00 -0.72 -4.27 105.19 99.75 2r4h n GLY 14 Ca 0.34 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2r4h n GLY 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2r4h h PHE 15 N 0.00 0.00 0.00 1.61 -1.00 -1.87 -0.27 116.94 115.41 2r4h h PHE 15 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2r4h h PHE 15 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2r4h h PHE 15 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2r4h n GLY 16 N 1.06 0.45 3.14 -1.45 0.00 -1.26 -1.45 105.19 105.67 2r4h n GLY 16 Ca 0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 2r4h n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r4h s PHE 17 N -2.00 0.76 -0.01 1.61 -0.71 -1.26 -0.61 117.98 115.75 2r4h s PHE 17 Ca 0.00 -1.01 0.08 0.00 -1.04 0.00 0.00 56.93 54.96 2r4h s PHE 17 Cb 0.00 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.31 2r4h s PHE 17 CO 0.00 -0.28 -0.26 -1.12 -1.34 0.00 0.00 175.22 172.22 2r4h s SER 18 N -3.00 3.10 0.03 1.98 0.01 -0.59 -4.97 113.70 110.27 2r4h s SER 18 Ca 0.12 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 56.96 2r4h s SER 18 Cb 0.07 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 2r4h s SER 18 CO -0.06 0.31 -0.21 -1.48 0.41 0.00 0.00 173.24 172.21 2r4h s LEU 19 N -0.75 2.14 -0.02 2.44 0.05 -1.26 -0.61 118.68 120.67 2r4h s LEU 19 Ca 0.10 -0.49 0.06 0.00 0.05 0.00 0.00 54.13 53.86 2r4h s LEU 19 Cb -0.10 -1.02 -0.02 0.00 -2.05 0.00 0.00 46.19 43.00 2r4h s LEU 19 CO -0.00 0.19 -0.21 -0.60 -0.55 0.00 0.00 176.35 175.18 2r4h s ARG 20 N -1.01 1.70 0.00 1.48 3.52 -0.29 -4.91 118.95 119.43 2r4h s ARG 20 Ca 0.08 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 2r4h s ARG 20 Cb -0.09 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 2r4h s ARG 20 CO 0.01 0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 2r4h n GLY 21 N 2.55 0.18 0.00 8.12 0.00 -1.26 -1.37 105.19 113.41 2r4h n GLY 21 Ca -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2r4h n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r4h n GLY 22 N 0.00 2.54 0.28 -0.02 0.00 -0.84 -4.13 105.19 103.02 2r4h n GLY 22 Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.10 2r4h n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2r4h h ARG 23 N 0.00 0.25 0.00 1.61 2.43 -1.07 -0.49 114.38 117.11 2r4h h ARG 23 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2r4h h ARG 23 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2r4h h ARG 23 CO 0.00 0.16 0.00 -0.85 -1.51 0.00 0.00 179.97 177.77 2r4h n GLU 24 N -5.18 0.12 -0.33 0.20 0.00 -1.26 -1.61 120.64 112.58 2r4h n GLU 24 Ca 0.16 0.32 0.12 0.00 0.00 0.00 0.00 57.16 57.76 2r4h n GLU 24 Cb 0.52 -1.71 0.29 0.00 0.00 0.00 0.00 31.44 30.55 2r4h n GLU 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2r4h n TYR 25 N -1.93 0.86 -3.85 -1.84 4.02 -0.21 -4.97 117.16 109.25 2r4h n TYR 25 Ca 0.03 -0.45 -0.29 0.00 -0.01 0.00 0.00 57.90 57.18 2r4h n TYR 25 Cb 0.23 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.58 2r4h n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2r4h n ASN 26 N 1.57 -5.07 -3.27 7.72 3.02 -0.64 -4.87 115.26 113.73 2r4h n ASN 26 Ca 0.23 -0.73 -0.09 0.00 -0.03 0.00 0.00 54.58 53.96 2r4h n ASN 26 Cb 0.61 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 2r4h n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r4h s MET 27 N -6.56 2.05 0.85 3.52 0.23 -1.21 -5.05 119.30 113.13 2r4h s MET 27 Ca 0.65 -1.33 -0.12 0.00 -1.03 0.00 0.00 55.69 53.85 2r4h s MET 27 Cb -0.32 0.60 0.12 0.00 -1.53 0.00 0.00 34.83 33.70 2r4h s MET 27 CO 0.80 -0.94 1.20 -0.51 -2.03 0.00 0.00 175.02 173.55 2r4h s ASP 28 N -3.04 4.03 -0.20 -1.18 1.01 -1.26 -1.99 116.67 114.04 2r4h s ASP 28 Ca 0.16 0.51 -0.13 0.00 0.71 0.00 0.00 52.55 53.79 2r4h s ASP 28 Cb -0.05 -0.85 -0.05 0.00 1.01 0.00 0.00 42.92 42.99 2r4h s ASP 28 CO 0.11 -2.17 0.28 -0.76 0.21 0.00 0.00 175.17 172.84 2r4h s LEU 29 N -5.63 4.17 0.11 1.23 1.43 -1.26 -3.34 118.68 115.38 2r4h s LEU 29 Ca 0.66 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 2r4h s LEU 29 Cb -0.08 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2r4h s LEU 29 CO 0.50 0.03 -0.11 -0.31 0.23 0.00 0.00 176.35 176.69 2r4h s TYR 30 N 0.95 1.13 -0.07 0.29 2.02 -0.47 -0.88 117.35 120.32 2r4h s TYR 30 Ca 0.14 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 2r4h s TYR 30 Cb -0.14 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 2r4h s TYR 30 CO 0.05 0.03 1.19 0.08 -1.57 0.00 0.00 175.55 175.33 2r4h s VAL 31 N -2.49 4.31 -0.06 0.71 1.01 -0.07 -1.14 120.40 122.67 2r4h s VAL 31 Ca 0.07 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.75 2r4h s VAL 31 Cb -0.03 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 2r4h s VAL 31 CO 0.00 -0.02 0.08 0.18 0.00 0.00 0.00 175.10 175.35 2r4h n LEU 32 N 5.32 0.00 -3.87 3.92 7.99 0.22 0.03 117.00 130.62 2r4h n LEU 32 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 56.00 2r4h n LEU 32 Cb 0.46 0.14 -0.09 0.00 -0.11 0.00 0.00 43.42 43.81 2r4h n LEU 32 CO 0.55 0.14 -0.15 -0.13 -1.51 0.00 0.00 177.39 176.29 2r4h s ARG 33 N -2.34 0.56 -0.12 3.23 3.00 -1.18 -4.87 118.95 117.24 2r4h s ARG 33 Ca -0.04 -0.50 0.02 0.00 0.00 0.00 0.00 55.73 55.21 2r4h s ARG 33 Cb 0.04 0.23 0.01 0.00 0.00 0.00 0.00 34.95 35.23 2r4h s ARG 33 CO 0.35 -0.15 -0.17 -0.51 0.00 0.00 0.00 175.30 174.82 2r4h s LEU 34 N -1.67 1.85 0.20 2.53 1.43 -1.26 -1.53 118.68 120.22 2r4h s LEU 34 Ca -0.11 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2r4h s LEU 34 Cb -0.05 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 2r4h s LEU 34 CO -0.00 0.04 1.17 0.00 0.23 0.00 0.00 176.35 177.78 2r4h s ALA 35 N 0.93 3.42 -0.07 4.21 0.00 0.22 -4.91 121.76 125.56 2r4h s ALA 35 Ca -0.07 0.93 -0.36 0.00 0.00 0.00 0.00 51.96 52.46 2r4h s ALA 35 Cb -0.15 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 2r4h s ALA 35 CO -0.02 -0.32 1.74 -1.91 0.00 0.00 0.00 175.76 175.24 2r4h n GLU 36 N 2.27 1.81 -1.33 0.00 2.13 -1.26 -1.08 120.64 123.19 2r4h n GLU 36 Ca 0.03 0.66 -0.11 0.00 0.66 0.00 0.00 57.16 58.40 2r4h n GLU 36 Cb 0.45 -2.43 -0.05 0.00 0.27 0.00 0.00 31.44 29.68 2r4h n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2r4h n ASP 37 N 5.32 -5.19 -4.36 4.31 4.64 -1.26 -4.99 116.55 115.01 2r4h n ASP 37 Ca 0.22 0.28 -0.28 0.00 -1.38 0.00 0.00 54.79 53.62 2r4h n ASP 37 Cb 0.24 -3.68 0.15 0.00 -1.04 0.00 0.00 41.12 36.79 2r4h n ASP 37 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2r4h s GLY 38 N -2.54 1.75 0.24 0.27 0.00 -0.24 -4.77 107.32 102.02 2r4h s GLY 38 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 2r4h s GLY 38 CO 0.00 -0.51 1.82 -2.55 0.00 0.00 0.00 173.10 171.85 2r4h h PRO 39 N -1.34 0.79 -0.34 2.90 0.11 -1.82 -1.11 132.00 131.20 2r4h h PRO 39 Ca -0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2r4h h PRO 39 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2r4h h PRO 39 CO 0.43 0.52 0.10 0.00 -0.21 0.00 0.00 178.00 178.85 2r4h h ALA 40 N 1.43 0.45 -0.65 -0.75 0.00 -1.47 -1.56 119.26 116.71 2r4h h ALA 40 Ca 0.38 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2r4h h ALA 40 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2r4h h ALA 40 CO -0.23 0.09 0.18 1.49 0.00 0.00 0.00 179.25 180.79 2r4h h GLU 41 N 0.40 1.03 0.00 0.00 4.81 -1.78 -2.91 114.58 116.13 2r4h h GLU 41 Ca 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2r4h h GLU 41 Cb 0.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2r4h h GLU 41 CO -0.00 0.91 0.00 0.54 -0.73 0.00 0.00 179.01 179.73 2r4h n ARG 42 N -4.32 0.20 0.22 1.92 1.74 -0.43 -2.38 116.66 113.61 2r4h n ARG 42 Ca 0.04 0.39 0.07 0.00 -0.77 0.00 0.00 57.85 57.58 2r4h n ARG 42 Cb 0.23 -1.86 0.50 0.00 -1.02 0.00 0.00 32.46 30.32 2r4h n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2r4h h SER 43 N 0.00 0.00 0.00 0.55 4.64 -1.07 -3.47 113.55 114.20 2r4h h SER 43 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r4h h SER 43 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2r4h h SER 43 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2r4h n GLY 44 N -0.56 0.39 0.08 -0.77 0.00 -1.00 -4.84 105.19 98.48 2r4h n GLY 44 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2r4h n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r4h n LYS 45 N -1.63 1.35 -4.12 1.61 4.01 -1.26 -5.00 118.16 113.12 2r4h n LYS 45 Ca 0.00 -0.01 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 2r4h n LYS 45 Cb 0.09 -1.41 -0.07 0.00 -0.51 0.00 0.00 35.03 33.12 2r4h n LYS 45 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2r4h s MET 46 N -2.42 3.15 0.09 1.97 -1.94 -1.26 -5.11 119.30 113.78 2r4h s MET 46 Ca -0.08 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 2r4h s MET 46 Cb 0.05 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 2r4h s MET 46 CO 0.66 0.70 -0.10 -0.98 -0.01 0.00 0.00 175.02 175.29 2r4h s ARG 47 N -1.30 0.83 0.32 2.03 1.70 -1.26 -4.91 118.95 116.36 2r4h s ARG 47 Ca 0.18 -1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 53.99 2r4h s ARG 47 Cb -0.12 -0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 33.65 2r4h s ARG 47 CO 0.08 0.07 1.33 -0.89 -1.08 0.00 0.00 175.30 174.80 2r4h n ILE 48 N 0.53 1.74 0.00 4.99 5.41 -1.26 -1.71 119.36 129.05 2r4h n ILE 48 Ca -0.16 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.16 2r4h n ILE 48 Cb 0.58 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 2r4h n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2r4h n GLY 49 N 1.12 3.36 3.76 7.39 0.00 0.10 -4.93 105.19 116.00 2r4h n GLY 49 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2r4h n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r4h s ASP 50 N -0.79 6.43 -0.08 1.61 -0.00 -0.69 -4.14 116.67 119.01 2r4h s ASP 50 Ca 0.00 2.92 -0.19 0.00 -0.00 0.00 0.00 52.55 55.27 2r4h s ASP 50 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 2r4h s ASP 50 CO 0.00 -0.85 0.53 -0.70 -0.00 0.00 0.00 175.17 174.16 2r4h s GLU 51 N -0.98 4.33 -0.27 8.23 2.12 0.11 -0.89 118.70 131.35 2r4h s GLU 51 Ca 0.59 0.58 -0.20 0.00 0.36 0.00 0.00 54.97 56.30 2r4h s GLU 51 Cb -0.46 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 2r4h s GLU 51 CO 0.51 0.22 0.60 0.42 -0.54 0.00 0.00 175.26 176.47 2r4h s ILE 52 N 0.39 4.99 -0.03 -3.70 1.01 -0.05 0.08 121.20 123.88 2r4h s ILE 52 Ca 0.29 0.98 0.16 0.00 0.00 0.00 0.00 60.65 62.08 2r4h s ILE 52 Cb -0.16 -3.93 -0.25 0.00 0.01 0.00 0.00 42.46 38.13 2r4h s ILE 52 CO 0.13 -0.02 0.33 0.18 0.00 0.00 0.00 174.94 175.56 2r4h n LEU 53 N 5.73 0.00 -3.66 2.97 4.77 0.69 -4.55 117.00 122.95 2r4h n LEU 53 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2r4h n LEU 53 Cb 0.49 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2r4h n LEU 53 CO 0.43 0.03 0.29 -1.61 -1.33 0.00 0.00 177.39 175.21 2r4h s GLU 54 N -3.06 0.68 -0.12 3.23 2.02 -0.99 -1.72 118.70 118.74 2r4h s GLU 54 Ca -0.06 0.97 0.01 0.00 0.02 0.00 0.00 54.97 55.91 2r4h s GLU 54 Cb 0.10 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.59 2r4h s GLU 54 CO 0.67 -0.12 -0.15 0.42 0.02 0.00 0.00 175.26 176.11 2r4h s ILE 55 N 0.86 1.52 -1.60 -1.63 1.01 -0.36 -1.69 121.20 119.31 2r4h s ILE 55 Ca -0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2r4h s ILE 55 Cb -0.05 -1.40 0.09 0.00 0.01 0.00 0.00 42.46 41.11 2r4h s ILE 55 CO -0.07 0.45 0.60 0.59 0.00 0.00 0.00 174.94 176.50 2r4h n ASN 56 N 4.38 -1.93 0.00 3.58 3.02 -0.18 -1.10 115.26 123.04 2r4h n ASN 56 Ca -0.18 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2r4h n ASN 56 Cb 0.51 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 2r4h n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r4h n GLY 57 N -1.69 1.29 3.66 7.41 0.00 -1.26 -5.02 105.19 109.57 2r4h n GLY 57 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2r4h n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r4h s GLU 58 N -0.01 4.08 0.49 1.61 2.12 -0.26 -5.05 118.70 121.68 2r4h s GLU 58 Ca 0.00 -0.24 -0.24 0.00 0.36 0.00 0.00 54.97 54.85 2r4h s GLU 58 Cb 0.00 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 2r4h s GLU 58 CO 0.00 0.05 1.37 -2.37 -0.54 0.00 0.00 175.26 173.77 2r4h n THR 59 N 4.29 3.19 0.47 -1.70 5.66 -1.26 -1.22 114.28 123.71 2r4h n THR 59 Ca -0.15 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.46 2r4h n THR 59 Cb 0.52 -1.71 0.26 0.00 -1.55 0.00 0.00 70.33 67.85 2r4h n THR 59 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2r4h n THR 60 N -0.58 0.51 -1.64 1.09 -2.24 -0.70 -4.81 114.28 105.91 2r4h n THR 60 Ca 0.08 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 2r4h n THR 60 Cb 0.42 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2r4h n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2r4h n LYS 61 N 1.15 2.53 -1.79 -0.78 4.01 -1.26 -1.15 118.16 120.87 2r4h n LYS 61 Ca 0.19 0.88 -0.21 0.00 -0.51 0.00 0.00 58.31 58.65 2r4h n LYS 61 Cb 0.51 -3.03 -0.07 0.00 -0.51 0.00 0.00 35.03 31.93 2r4h n LYS 61 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2r4h n ASN 62 N 8.62 -5.61 -4.75 4.39 3.02 -1.26 -4.96 115.26 114.71 2r4h n ASN 62 Ca 0.23 0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 54.78 2r4h n ASN 62 Cb 0.40 -4.87 -0.06 0.00 -0.61 0.00 0.00 39.78 34.65 2r4h n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2r4h s MET 63 N -4.06 4.82 0.43 3.52 1.75 -0.30 -4.72 119.30 120.74 2r4h s MET 63 Ca 0.00 1.51 -0.23 0.00 -1.25 0.00 0.00 55.69 55.72 2r4h s MET 63 Cb 0.00 -3.29 -0.08 0.00 2.84 0.00 0.00 34.83 34.30 2r4h s MET 63 CO 0.00 0.45 1.10 0.15 -0.65 0.00 0.00 175.02 176.07 2r4h s LYS 64 N -1.04 3.97 0.21 4.11 1.02 -1.26 -0.81 119.74 125.94 2r4h s LYS 64 Ca 0.42 1.61 -0.10 0.00 0.02 0.00 0.00 55.97 57.92 2r4h s LYS 64 Cb -0.26 -2.45 0.30 0.00 -0.52 0.00 0.00 37.83 34.89 2r4h s LYS 64 CO 0.32 -0.33 1.70 1.25 -0.92 0.00 0.00 175.35 177.37 2r4h h HIS 65 N 2.24 0.17 -0.66 3.18 -0.00 -1.84 -0.76 115.15 117.47 2r4h h HIS 65 Ca -0.49 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 59.94 2r4h h HIS 65 Cb 1.23 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.62 2r4h h HIS 65 CO 0.56 -0.05 0.42 0.66 -0.00 0.00 0.00 177.93 179.52 2r4h h SER 66 N 0.24 0.71 -0.85 3.26 4.64 -1.92 -1.71 113.55 117.92 2r4h h SER 66 Ca 0.32 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 2r4h h SER 66 Cb 0.48 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 2r4h h SER 66 CO -0.42 0.51 0.45 -0.09 -0.87 0.00 0.00 176.83 176.41 2r4h h ARG 67 N 0.85 1.19 -0.55 4.77 9.65 -1.81 -0.15 114.38 128.32 2r4h h ARG 67 Ca 0.25 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 59.05 2r4h h ARG 67 Cb -0.04 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.26 2r4h h ARG 67 CO -0.08 0.89 0.25 0.00 2.80 0.00 0.00 179.97 183.83 2r4h h ALA 68 N 1.24 0.70 -0.25 2.80 0.00 -0.52 -0.95 119.26 122.28 2r4h h ALA 68 Ca 0.30 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2r4h h ALA 68 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2r4h h ALA 68 CO -0.04 -0.12 -0.53 0.82 0.00 0.00 0.00 179.25 179.37 2r4h h ILE 69 N 0.47 1.29 -0.27 0.00 1.08 -1.13 -1.97 117.51 116.98 2r4h h ILE 69 Ca 0.26 -1.73 0.02 0.00 -0.39 0.00 0.00 64.86 63.02 2r4h h ILE 69 Cb 0.22 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 2r4h h ILE 69 CO -0.21 0.55 0.12 -0.08 -0.69 0.00 0.00 178.15 177.85 2r4h h GLU 70 N 0.54 0.26 -0.82 2.37 4.81 -0.81 -0.97 114.58 119.96 2r4h h GLU 70 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2r4h h GLU 70 Cb 1.14 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 2r4h h GLU 70 CO 0.12 0.17 0.49 -0.07 -0.73 0.00 0.00 179.01 178.99 2r4h h LEU 71 N 0.27 0.74 -0.48 1.64 3.38 -1.09 0.72 115.31 120.48 2r4h h LEU 71 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2r4h h LEU 71 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2r4h h LEU 71 CO -0.09 0.46 0.05 0.40 0.09 0.00 0.00 178.44 179.35 2r4h h ILE 72 N 0.87 1.25 -0.55 1.22 2.04 -1.13 -1.83 117.51 119.39 2r4h h ILE 72 Ca 0.37 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 2r4h h ILE 72 Cb 0.23 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2r4h h ILE 72 CO -0.20 0.34 -0.03 0.11 0.00 0.00 0.00 178.15 178.37 2r4h h LYS 73 N 0.68 0.99 0.00 2.37 1.57 -0.75 -2.94 116.57 118.50 2r4h h LYS 73 Ca 0.14 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2r4h h LYS 73 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2r4h h LYS 73 CO 0.01 1.01 0.00 0.09 -0.57 0.00 0.00 179.45 180.00 2r4h n ASN 74 N -4.22 0.22 -0.00 0.86 3.02 0.21 -2.75 115.26 112.60 2r4h n ASN 74 Ca 0.02 0.54 0.14 0.00 -0.03 0.00 0.00 54.58 55.25 2r4h n ASN 74 Cb 0.36 -0.59 0.64 0.00 -0.61 0.00 0.00 39.78 39.57 2r4h n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r4h n GLY 75 N 0.66 -1.45 7.00 7.41 0.00 -0.70 -4.99 105.19 113.12 2r4h n GLY 75 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2r4h n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r4h n GLY 76 N 1.46 1.77 0.05 -0.02 0.00 -1.11 -3.43 105.19 103.92 2r4h n GLY 76 Ca 0.08 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.76 2r4h n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2r4h n ARG 77 N 12.61 0.10 -4.20 1.61 0.00 -1.26 -4.78 116.66 120.74 2r4h n ARG 77 Ca 0.00 0.25 -0.18 0.00 -0.00 0.00 0.00 57.85 57.92 2r4h n ARG 77 Cb 0.00 -1.66 -0.12 0.00 -0.00 0.00 0.00 32.46 30.68 2r4h n ARG 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2r4h s ARG 78 N -3.11 0.80 -0.05 2.89 3.00 -1.22 -1.19 118.95 120.07 2r4h s ARG 78 Ca 0.08 -0.87 0.05 0.00 0.00 0.00 0.00 55.73 54.99 2r4h s ARG 78 Cb 0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 34.95 34.28 2r4h s ARG 78 CO 0.40 0.18 -0.19 0.54 0.00 0.00 0.00 175.30 176.22 2r4h s VAL 79 N -1.16 1.61 -0.13 3.52 0.11 -0.35 -4.63 120.40 119.36 2r4h s VAL 79 Ca -0.02 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.18 2r4h s VAL 79 Cb -0.09 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2r4h s VAL 79 CO 0.02 0.46 -0.00 -0.13 -3.33 0.00 0.00 175.10 172.11 2r4h s ARG 80 N 0.02 3.43 0.05 1.54 0.52 -1.26 -0.22 118.95 123.03 2r4h s ARG 80 Ca -0.05 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2r4h s ARG 80 Cb -0.12 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 2r4h s ARG 80 CO 0.03 0.45 -0.11 -0.51 0.02 0.00 0.00 175.30 175.18 2r4h s LEU 81 N -0.18 2.24 -0.10 2.53 1.43 0.16 -1.01 118.68 123.76 2r4h s LEU 81 Ca 0.05 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2r4h s LEU 81 Cb -0.13 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2r4h s LEU 81 CO 0.02 -0.11 -0.21 0.12 0.23 0.00 0.00 176.35 176.40 2r4h s PHE 82 N -1.21 2.34 0.05 0.29 2.19 -0.68 -1.44 117.98 119.52 2r4h s PHE 82 Ca -0.05 -0.97 0.04 0.00 0.33 0.00 0.00 56.93 56.29 2r4h s PHE 82 Cb -0.09 -1.58 -0.02 0.00 -1.31 0.00 0.00 43.02 40.01 2r4h s PHE 82 CO 0.01 -0.41 -0.11 -0.51 1.83 0.00 0.00 175.22 176.03 2r4h s LEU 83 N 0.45 2.23 -0.19 6.12 1.02 0.22 -0.22 118.68 128.31 2r4h s LEU 83 Ca -0.17 -0.53 -0.10 0.00 0.02 0.00 0.00 54.13 53.34 2r4h s LEU 83 Cb -0.17 -0.39 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 2r4h s LEU 83 CO 0.07 -0.09 0.16 -0.75 0.02 0.00 0.00 176.35 175.75 2r4h s LYS 84 N -1.48 4.17 0.30 1.70 2.36 0.11 -1.68 119.74 125.21 2r4h s LYS 84 Ca -0.04 -0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 52.92 2r4h s LYS 84 Cb -0.09 -3.41 -0.10 0.00 -1.05 0.00 0.00 37.83 33.18 2r4h s LYS 84 CO 0.01 0.31 1.15 1.03 1.55 0.00 0.00 175.35 179.41 2r4h s ARG 85 N 0.31 4.54 1.02 4.03 0.52 -0.27 -0.71 118.95 128.39 2r4h s ARG 85 Ca 0.10 1.90 -0.17 0.00 -0.52 0.00 0.00 55.73 57.04 2r4h s ARG 85 Cb -0.11 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.24 2r4h s ARG 85 CO -0.01 0.09 -0.09 0.41 0.02 0.00 0.00 175.30 175.72 2r4h n GLY 86 N 1.05 -2.66 3.54 -3.53 0.00 -1.26 -4.58 105.19 97.76 2r4h n GLY 86 Ca -0.01 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2r4h n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r4h s GLU 87 N -3.18 3.39 -0.11 1.61 0.41 -1.26 -4.83 118.70 114.73 2r4h s GLU 87 Ca 0.52 -0.79 0.10 0.00 -0.41 0.00 0.00 54.97 54.39 2r4h s GLU 87 Cb -0.15 -4.74 -0.14 0.00 -1.78 0.00 0.00 34.13 27.32 2r4h s GLU 87 CO 0.69 -2.11 0.05 0.25 -0.49 0.00 0.00 175.26 173.65 2r4h n THR 88 N 6.48 0.77 -2.80 3.63 -2.24 -1.26 -5.00 114.28 113.86 2r4h n THR 88 Ca 0.17 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2r4h n THR 88 Cb 0.50 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 2r4h n THR 88 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2r4h s SER 89 N -4.40 6.92 0.00 3.42 0.15 -1.26 -5.30 113.70 113.22 2r4h s SER 89 Ca -0.06 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2r4h s SER 89 Cb 0.04 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2r4h s SER 89 CO 0.48 -0.60 0.34 1.33 1.20 0.00 0.00 173.24 175.99