#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3e s ASP 4 N 0.00 7.52 -0.28 1.61 -0.00 -1.26 -5.01 116.67 119.26 1x3e s ASP 4 Ca 0.00 1.80 -0.24 0.00 -0.00 0.00 0.00 52.55 54.11 1x3e s ASP 4 Cb 0.00 -2.57 -0.00 0.00 -0.00 0.00 0.00 42.92 40.35 1x3e s ASP 4 CO 0.00 0.12 0.83 -0.89 -0.00 0.00 0.00 175.17 175.23 1x3e s THR 5 N -0.85 4.79 0.23 -1.27 2.01 -1.26 -5.03 115.64 114.26 1x3e s THR 5 Ca 0.41 1.42 0.06 0.00 0.31 0.00 0.00 61.69 63.89 1x3e s THR 5 Cb -0.24 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1x3e s THR 5 CO 0.29 -0.18 0.27 0.42 -0.69 0.00 0.00 174.62 174.74 1x3e s THR 6 N 2.96 4.90 -0.04 -0.82 -4.23 -1.26 -1.34 115.64 115.80 1x3e s THR 6 Ca 0.35 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1x3e s THR 6 Cb -0.14 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1x3e s THR 6 CO 0.10 -0.30 0.24 -0.51 -0.54 0.00 0.00 174.62 173.61 1x3e s ILE 7 N -2.00 0.04 -0.14 2.99 2.07 -0.36 -4.85 121.20 118.95 1x3e s ILE 7 Ca 0.33 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1x3e s ILE 7 Cb -0.09 -0.47 -0.00 0.00 0.13 0.00 0.00 42.46 42.03 1x3e s ILE 7 CO 0.27 -0.20 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.04 1x3e s THR 8 N -0.79 2.60 -0.02 4.00 2.01 -1.26 -1.65 115.64 120.54 1x3e s THR 8 Ca -0.09 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1x3e s THR 8 Cb -0.05 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1x3e s THR 8 CO 0.02 0.53 -0.15 0.54 -0.69 0.00 0.00 174.62 174.86 1x3e s VAL 9 N 0.61 1.24 -0.15 3.82 0.11 0.97 -4.99 120.40 122.01 1x3e s VAL 9 Ca -0.09 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 1x3e s VAL 9 Cb -0.16 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1x3e s VAL 9 CO 0.03 0.35 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.35 1x3e s VAL 10 N -0.23 3.15 0.00 2.04 1.01 -1.26 -0.79 120.40 124.32 1x3e s VAL 10 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1x3e s VAL 10 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1x3e s VAL 10 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1x3e n GLY 11 N 3.75 0.70 3.46 4.51 0.00 -0.96 -4.48 105.19 112.17 1x3e n GLY 11 Ca -0.18 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1x3e n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x3e s ASN 12 N 0.52 4.02 0.28 1.61 -0.87 0.10 -0.99 114.94 119.61 1x3e s ASN 12 Ca 0.00 -0.21 -0.30 0.00 -1.57 0.00 0.00 52.86 50.78 1x3e s ASN 12 Cb 0.00 -0.94 -0.11 0.00 -0.02 0.00 0.00 41.25 40.19 1x3e s ASN 12 CO 0.00 0.33 1.53 -0.76 -2.57 0.00 0.00 177.10 175.63 1x3e s LEU 13 N -0.61 4.36 0.44 0.60 1.43 -0.79 -0.80 118.68 123.32 1x3e s LEU 13 Ca 0.09 2.85 0.25 0.00 -1.03 0.00 0.00 54.13 56.28 1x3e s LEU 13 Cb -0.11 -3.63 0.60 0.00 0.03 0.00 0.00 46.19 43.08 1x3e s LEU 13 CO 0.01 -0.83 1.70 0.71 0.23 0.00 0.00 176.35 178.17 1x3e h THR 14 N 3.43 0.17 -3.00 5.49 1.35 -1.60 -1.41 112.91 117.35 1x3e h THR 14 Ca -0.47 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1x3e h THR 14 Cb 1.22 1.92 -0.10 0.00 -1.73 0.00 0.00 68.15 69.46 1x3e h THR 14 CO 0.78 0.09 0.21 0.00 -0.25 0.00 0.00 175.52 176.35 1x3e s ALA 15 N -3.33 -1.50 0.33 6.62 0.00 -1.26 -4.80 121.76 117.82 1x3e s ALA 15 Ca 0.05 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1x3e s ALA 15 Cb 0.07 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.94 1x3e s ALA 15 CO 0.65 -0.84 1.25 -0.25 0.00 0.00 0.00 175.76 176.56 1x3e n ASP 16 N -0.40 2.53 -4.77 0.00 8.00 -1.26 -4.01 116.55 116.63 1x3e n ASP 16 Ca -0.14 1.20 -0.41 0.00 0.71 0.00 0.00 54.79 56.16 1x3e n ASP 16 Cb 0.63 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1x3e n ASP 16 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1x3e s PRO 17 N -1.77 4.00 -0.37 -0.24 0.02 -1.26 -4.87 135.00 130.51 1x3e s PRO 17 Ca 0.56 2.49 -0.13 0.00 0.02 0.00 0.00 61.00 63.95 1x3e s PRO 17 Cb -0.59 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1x3e s PRO 17 CO 0.61 -0.59 0.25 -1.21 -0.33 0.00 0.00 177.00 175.74 1x3e s GLU 18 N -2.18 3.21 -0.15 5.54 2.02 -0.50 -4.93 118.70 121.71 1x3e s GLU 18 Ca 0.55 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.54 1x3e s GLU 18 Cb -0.45 -3.84 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 1x3e s GLU 18 CO 0.60 -0.58 0.38 -1.17 0.02 0.00 0.00 175.26 174.51 1x3e s LEU 19 N 1.68 4.25 0.34 1.80 2.96 -1.26 -1.83 118.68 126.61 1x3e s LEU 19 Ca 0.05 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1x3e s LEU 19 Cb -0.18 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1x3e s LEU 19 CO 0.09 0.04 0.16 -0.13 -1.32 0.00 0.00 176.35 175.20 1x3e s ARG 20 N 0.61 1.72 -0.07 1.98 0.52 -0.06 -5.00 118.95 118.64 1x3e s ARG 20 Ca 0.21 -2.01 0.02 0.00 -0.52 0.00 0.00 55.73 53.43 1x3e s ARG 20 Cb -0.14 -0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.11 1x3e s ARG 20 CO 0.07 -0.47 -0.12 -0.06 0.02 0.00 0.00 175.30 174.74 1x3e s PHE 21 N -3.45 1.47 0.99 -0.53 0.40 -1.26 -0.85 117.98 114.75 1x3e s PHE 21 Ca 0.33 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1x3e s PHE 21 Cb 0.04 -1.09 0.19 0.00 0.51 0.00 0.00 43.02 42.66 1x3e s PHE 21 CO 0.18 -0.31 1.11 0.95 0.70 0.00 0.00 175.22 177.86 1x3e s THR 22 N 0.78 2.04 0.54 0.64 -4.23 0.35 -4.80 115.64 110.95 1x3e s THR 22 Ca -0.12 0.01 0.30 0.00 -1.18 0.00 0.00 61.69 60.70 1x3e s THR 22 Cb -0.15 -2.03 0.45 0.00 1.34 0.00 0.00 72.50 72.11 1x3e s THR 22 CO 0.02 -0.02 1.91 -0.65 -0.54 0.00 0.00 174.62 175.35 1x3e h PRO 23 N -2.11 0.00 0.00 3.99 0.11 -2.01 -0.34 132.00 131.64 1x3e h PRO 23 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1x3e h PRO 23 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1x3e h PRO 23 CO 0.44 0.00 -0.25 0.77 -0.21 0.00 0.00 178.00 178.75 1x3e h SER 24 N 0.00 0.00 0.00 -2.05 0.02 -2.05 -3.46 113.55 106.01 1x3e h SER 24 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1x3e h SER 24 Cb 1.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1x3e h SER 24 CO -0.00 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1x3e n GLY 25 N -0.35 0.92 3.73 -3.77 0.00 -0.14 -5.10 105.19 100.48 1x3e n GLY 25 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1x3e n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3e s ALA 26 N -2.00 3.26 0.16 4.61 0.00 -1.26 -4.74 121.76 121.80 1x3e s ALA 26 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1x3e s ALA 26 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1x3e s ALA 26 CO 0.00 -0.03 0.98 0.00 0.00 0.00 0.00 175.76 176.71 1x3e s ALA 27 N 0.11 3.30 -0.00 0.00 0.00 -1.26 -0.49 121.76 123.41 1x3e s ALA 27 Ca 0.46 0.63 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1x3e s ALA 27 Cb -0.22 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1x3e s ALA 27 CO 0.28 0.02 -0.04 0.54 0.00 0.00 0.00 175.76 176.56 1x3e s VAL 28 N -0.43 0.30 -0.05 0.00 0.11 -0.03 -2.08 120.40 118.22 1x3e s VAL 28 Ca 0.45 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1x3e s VAL 28 Cb -0.25 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1x3e s VAL 28 CO 0.32 0.08 -0.25 0.00 -3.33 0.00 0.00 175.10 171.92 1x3e s ALA 29 N -0.10 2.15 -0.06 1.54 0.00 -0.67 -0.88 121.76 123.74 1x3e s ALA 29 Ca 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1x3e s ALA 29 Cb -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1x3e s ALA 29 CO -0.00 0.42 -0.21 -0.80 0.00 0.00 0.00 175.76 175.17 1x3e s ASN 30 N -0.19 3.44 0.12 0.00 -0.87 -0.76 -2.14 114.94 114.54 1x3e s ASN 30 Ca -0.03 -0.40 -0.16 0.00 -1.57 0.00 0.00 52.86 50.69 1x3e s ASN 30 Cb -0.13 -0.93 0.04 0.00 -0.02 0.00 0.00 41.25 40.21 1x3e s ASN 30 CO 0.03 0.26 0.41 0.72 -2.57 0.00 0.00 177.10 175.95 1x3e s PHE 31 N -0.25 -0.22 -0.11 2.20 -0.71 -0.84 -1.41 117.98 116.64 1x3e s PHE 31 Ca -0.00 -0.07 0.03 0.00 -1.04 0.00 0.00 56.93 55.84 1x3e s PHE 31 Cb -0.13 0.26 -0.00 0.00 -1.21 0.00 0.00 43.02 41.94 1x3e s PHE 31 CO 0.03 -0.69 -0.21 0.99 -1.34 0.00 0.00 175.22 174.00 1x3e s THR 32 N -3.69 2.38 -0.25 -4.49 2.01 -1.26 -0.05 115.64 110.29 1x3e s THR 32 Ca 0.02 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 1x3e s THR 32 Cb 0.02 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1x3e s THR 32 CO -0.11 0.55 0.36 -0.69 -0.69 0.00 0.00 174.62 174.04 1x3e s VAL 33 N 0.34 5.19 -0.34 3.82 1.01 -0.19 -1.43 120.40 128.81 1x3e s VAL 33 Ca -0.16 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1x3e s VAL 33 Cb -0.17 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1x3e s VAL 33 CO 0.08 0.19 0.45 0.00 0.00 0.00 0.00 175.10 175.82 1x3e s ALA 34 N 1.83 3.49 -0.34 5.51 0.00 0.02 -0.77 121.76 131.50 1x3e s ALA 34 Ca 0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1x3e s ALA 34 Cb -0.15 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1x3e s ALA 34 CO 0.09 -1.12 0.15 0.45 0.00 0.00 0.00 175.76 175.34 1x3e s SER 35 N 1.73 5.49 -0.38 0.00 0.15 -0.17 -0.72 113.70 119.80 1x3e s SER 35 Ca 0.16 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 1x3e s SER 35 Cb -0.16 -1.96 0.10 0.00 -1.71 0.00 0.00 66.02 62.29 1x3e s SER 35 CO 0.12 -0.30 0.14 0.42 1.20 0.00 0.00 173.24 174.83 1x3e s THR 36 N 1.52 3.00 0.59 6.45 -4.23 -1.26 -3.90 115.64 117.82 1x3e s THR 36 Ca 0.02 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.28 1x3e s THR 36 Cb -0.18 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 1x3e s THR 36 CO 0.05 -0.60 1.31 -2.84 -0.54 0.00 0.00 174.62 171.99 1x3e s PRO 37 N 1.09 2.87 0.05 3.99 0.02 -1.26 -4.88 135.00 136.88 1x3e s PRO 37 Ca 0.07 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1x3e s PRO 37 Cb -0.22 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1x3e s PRO 37 CO -0.05 -1.36 -0.05 1.03 -0.33 0.00 0.00 177.00 176.24 1x3e s ARG 38 N -3.16 0.52 -0.34 5.54 0.52 -1.26 -1.30 118.95 119.47 1x3e s ARG 38 Ca 0.77 -0.89 0.15 0.00 -0.52 0.00 0.00 55.73 55.25 1x3e s ARG 38 Cb -0.38 -0.06 0.44 0.00 0.52 0.00 0.00 34.95 35.47 1x3e s ARG 38 CO 0.42 -0.02 1.05 -1.33 0.02 0.00 0.00 175.30 175.44 1x3e n MET 39 N 1.02 1.15 0.00 3.54 2.81 -1.20 -5.00 117.12 119.45 1x3e n MET 39 Ca -0.20 -2.87 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 1x3e n MET 39 Cb 0.57 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 1x3e n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1x3e n GLU 46 N -0.19 0.00 -3.32 0.03 -0.58 -1.26 -4.94 120.64 110.39 1x3e n GLU 46 Ca 0.06 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1x3e n GLU 46 Cb 0.82 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.66 1x3e n GLU 46 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1x3e s TRP 47 N 0.00 -0.71 -0.16 -0.32 1.48 -1.26 -5.10 118.94 112.87 1x3e s TRP 47 Ca 0.00 1.06 -0.06 0.00 -1.06 0.00 0.00 56.10 56.04 1x3e s TRP 47 Cb 0.00 0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.69 1x3e s TRP 47 CO 0.00 -0.36 0.12 1.63 -4.06 0.00 0.00 176.95 174.27 1x3e n LYS 48 N 5.13 -2.95 -1.97 3.25 4.76 -1.26 -4.98 118.16 120.13 1x3e n LYS 48 Ca -0.08 2.41 -0.40 0.00 -2.87 0.00 0.00 58.31 57.38 1x3e n LYS 48 Cb 0.53 -3.92 0.00 0.00 -1.84 0.00 0.00 35.03 29.80 1x3e n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x3e s ASP 49 N -0.70 6.16 0.62 4.39 1.11 -1.26 -3.22 116.67 123.77 1x3e s ASP 49 Ca -0.13 2.74 -0.01 0.00 0.18 0.00 0.00 52.55 55.32 1x3e s ASP 49 Cb 0.01 -2.64 0.06 0.00 1.07 0.00 0.00 42.92 41.41 1x3e s ASP 49 CO 0.55 -0.96 0.37 0.61 1.18 0.00 0.00 175.17 176.92 1x3e n GLY 50 N 0.63 0.27 3.77 0.21 0.00 -0.42 -4.99 105.19 104.66 1x3e n GLY 50 Ca 0.04 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1x3e n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3e s GLU 51 N -3.47 4.22 0.19 1.61 2.02 -1.26 -4.69 118.70 117.32 1x3e s GLU 51 Ca 0.23 2.17 0.26 0.00 0.02 0.00 0.00 54.97 57.65 1x3e s GLU 51 Cb -0.01 -2.95 0.70 0.00 0.10 0.00 0.00 34.13 31.97 1x3e s GLU 51 CO 0.16 -0.29 1.67 0.00 0.02 0.00 0.00 175.26 176.82 1x3e n ALA 52 N 0.54 2.43 -2.50 5.21 0.00 -1.26 -4.41 120.51 120.53 1x3e n ALA 52 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1x3e n ALA 52 Cb 0.43 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 1x3e n ALA 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1x3e n LEU 53 N -2.24 -3.04 -4.09 0.00 -0.00 -1.25 -3.25 117.00 103.13 1x3e n LEU 53 Ca 0.05 1.32 -0.33 0.00 -0.00 0.00 0.00 56.01 57.05 1x3e n LEU 53 Cb 0.43 -1.88 -0.15 0.00 -0.00 0.00 0.00 43.42 41.83 1x3e n LEU 53 CO 0.32 -2.39 -0.44 -0.36 -0.00 0.00 0.00 177.39 174.51 1x3e s PHE 54 N -0.13 3.27 -0.31 1.96 0.40 -1.26 -1.00 117.98 120.91 1x3e s PHE 54 Ca -0.03 -2.25 -0.09 0.00 -0.60 0.00 0.00 56.93 53.96 1x3e s PHE 54 Cb 0.00 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.57 1x3e s PHE 54 CO 0.08 -0.87 0.13 -0.51 0.70 0.00 0.00 175.22 174.74 1x3e s LEU 55 N 1.13 4.04 0.25 -0.37 1.43 0.05 -4.92 118.68 120.28 1x3e s LEU 55 Ca -0.08 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 1x3e s LEU 55 Cb -0.20 -1.95 -0.11 0.00 0.03 0.00 0.00 46.19 43.96 1x3e s LEU 55 CO -0.04 -0.20 1.58 -0.13 0.23 0.00 0.00 176.35 177.78 1x3e s ARG 56 N 1.56 4.16 -0.01 1.70 0.52 -1.26 -1.02 118.95 124.61 1x3e s ARG 56 Ca 0.04 2.50 0.04 0.00 -0.52 0.00 0.00 55.73 57.79 1x3e s ARG 56 Cb -0.17 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1x3e s ARG 56 CO 0.05 -0.61 -0.14 0.00 0.02 0.00 0.00 175.30 174.62 1x3e s ASN 58 N -0.35 2.12 0.04 0.00 4.22 -0.88 -1.99 114.94 118.10 1x3e s ASN 58 Ca 0.05 -0.46 -0.06 0.00 -2.14 0.00 0.00 52.86 50.25 1x3e s ASN 58 Cb -0.05 -0.17 -0.01 0.00 1.28 0.00 0.00 41.25 42.29 1x3e s ASN 58 CO -0.00 0.13 0.10 -0.51 -2.04 0.00 0.00 177.10 174.77 1x3e s ILE 59 N -0.75 0.13 0.29 0.54 2.07 -0.91 -1.36 121.20 121.22 1x3e s ILE 59 Ca 0.05 -1.10 0.05 0.00 -1.41 0.00 0.00 60.65 58.25 1x3e s ILE 59 Cb -0.08 -0.91 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1x3e s ILE 59 CO 0.01 -0.60 -0.01 0.26 -1.91 0.00 0.00 174.94 172.69 1x3e s TRP 60 N -2.64 1.92 0.00 3.50 0.51 -1.26 -1.67 118.94 119.30 1x3e s TRP 60 Ca -0.05 -0.82 0.00 0.00 -2.12 0.00 0.00 56.10 53.11 1x3e s TRP 60 Cb -0.01 -1.17 0.00 0.00 -0.81 0.00 0.00 33.47 31.48 1x3e s TRP 60 CO -0.05 0.14 0.00 0.54 -0.51 0.00 0.00 176.95 177.08 1x3e n ARG 61 N -0.61 0.00 -0.19 4.98 1.74 -0.88 -3.33 116.66 118.36 1x3e n ARG 61 Ca -0.04 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1x3e n ARG 61 Cb 0.65 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.39 1x3e n ARG 61 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1x3e h GLU 62 N 0.00 0.84 -0.69 5.56 4.81 -1.99 -1.85 114.58 121.26 1x3e h GLU 62 Ca 0.00 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1x3e h GLU 62 Cb 0.00 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.13 1x3e h GLU 62 CO 0.00 0.55 0.35 0.00 -0.73 0.00 0.00 179.01 179.19 1x3e h ALA 63 N 1.58 0.94 -0.28 2.92 0.00 -1.97 0.75 119.26 123.20 1x3e h ALA 63 Ca 0.30 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1x3e h ALA 63 Cb 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1x3e h ALA 63 CO -0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 179.25 178.93 1x3e h ALA 64 N 1.40 -0.04 -0.66 0.00 0.00 -1.33 -0.40 119.26 118.23 1x3e h ALA 64 Ca 0.33 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1x3e h ALA 64 Cb 0.31 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x3e h ALA 64 CO -0.24 -0.62 0.21 0.93 0.00 0.00 0.00 179.25 179.53 1x3e h GLU 65 N -0.19 1.01 -0.37 0.00 5.08 -1.21 -2.23 114.58 116.67 1x3e h GLU 65 Ca 0.15 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1x3e h GLU 65 Cb 0.42 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1x3e h GLU 65 CO -0.40 0.86 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.41 1x3e h ASN 66 N 0.98 0.67 -0.09 1.42 2.35 -0.49 -1.61 115.58 118.81 1x3e h ASN 66 Ca 0.22 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1x3e h ASN 66 Cb 0.27 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1x3e h ASN 66 CO -0.01 0.84 0.05 0.58 -1.65 0.00 0.00 177.43 177.24 1x3e h VAL 67 N 0.61 1.09 -0.35 2.81 2.07 -0.90 -0.65 116.25 120.93 1x3e h VAL 67 Ca 0.10 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1x3e h VAL 67 Cb 0.61 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1x3e h VAL 67 CO 0.04 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.63 1x3e h ALA 68 N 0.94 1.20 0.00 1.67 0.00 -1.19 0.19 119.26 122.07 1x3e h ALA 68 Ca 0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1x3e h ALA 68 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1x3e h ALA 68 CO -0.00 0.52 -0.71 1.49 0.00 0.00 0.00 179.25 180.54 1x3e h GLU 69 N 0.55 0.00 0.00 0.00 4.81 -1.19 -3.39 114.58 115.36 1x3e h GLU 69 Ca 0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1x3e h GLU 69 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1x3e h GLU 69 CO 0.03 0.71 -1.83 0.43 -0.73 0.00 0.00 179.01 177.61 1x3e n SER 70 N -3.56 1.47 -4.42 1.04 7.64 -0.26 -5.02 113.62 110.50 1x3e n SER 70 Ca -0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1x3e n SER 70 Cb 0.72 1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 65.12 1x3e n SER 70 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x3e s LEU 71 N -4.52 2.43 0.32 -3.43 1.43 0.01 -5.06 118.68 109.85 1x3e s LEU 71 Ca -0.06 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1x3e s LEU 71 Cb 0.07 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1x3e s LEU 71 CO 0.62 0.15 0.23 0.42 0.23 0.00 0.00 176.35 177.99 1x3e s THR 72 N -1.39 0.09 -0.06 5.49 -4.23 -1.26 -4.47 115.64 109.81 1x3e s THR 72 Ca 0.18 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.32 1x3e s THR 72 Cb -0.09 -2.48 -0.16 0.00 1.34 0.00 0.00 72.50 71.11 1x3e s THR 72 CO 0.09 0.00 1.57 -1.14 -0.54 0.00 0.00 174.62 174.59 1x3e n ARG 73 N -0.60 1.35 0.00 3.99 0.63 -1.26 -1.57 116.66 119.21 1x3e n ARG 73 Ca 0.05 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1x3e n ARG 73 Cb 0.63 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1x3e n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x3e n GLY 74 N 3.42 3.39 3.72 5.14 0.00 -0.53 -4.90 105.19 115.43 1x3e n GLY 74 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1x3e n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3e n SER 75 N 0.00 3.92 -4.70 1.61 7.64 -0.61 -4.51 113.62 116.97 1x3e n SER 75 Ca 0.00 1.07 -0.40 0.00 1.01 0.00 0.00 58.87 60.54 1x3e n SER 75 Cb 0.00 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 61.59 1x3e n SER 75 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x3e s ARG 76 N 1.08 4.38 0.08 1.43 3.52 -1.26 -1.89 118.95 126.29 1x3e s ARG 76 Ca 0.75 0.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.33 1x3e s ARG 76 Cb -0.52 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 1x3e s ARG 76 CO 0.33 -0.10 -0.09 0.14 -0.81 0.00 0.00 175.30 174.77 1x3e s VAL 77 N 1.35 0.82 -0.16 7.11 -7.23 -0.17 -0.91 120.40 121.20 1x3e s VAL 77 Ca 0.38 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1x3e s VAL 77 Cb -0.17 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1x3e s VAL 77 CO 0.16 -0.55 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.66 1x3e s ILE 78 N -2.33 2.97 -0.07 -0.62 1.01 0.40 -2.26 121.20 120.30 1x3e s ILE 78 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1x3e s ILE 78 Cb -0.04 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1x3e s ILE 78 CO -0.01 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 1x3e s VAL 79 N 0.84 1.05 0.02 2.92 1.01 0.03 -1.78 120.40 124.49 1x3e s VAL 79 Ca -0.04 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1x3e s VAL 79 Cb -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1x3e s VAL 79 CO 0.00 0.34 -0.22 0.28 0.00 0.00 0.00 175.10 175.50 1x3e s THR 80 N 0.92 1.79 0.00 3.92 -1.32 -0.59 -0.02 115.64 120.34 1x3e s THR 80 Ca -0.10 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 1x3e s THR 80 Cb -0.15 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1x3e s THR 80 CO 0.01 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 1x3e n GLY 81 N 2.10 0.64 3.71 6.08 0.00 -0.66 -0.80 105.19 116.26 1x3e n GLY 81 Ca -0.16 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1x3e n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3e s ARG 82 N -1.62 3.79 -0.09 1.61 3.00 -0.36 -1.22 118.95 124.07 1x3e s ARG 82 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 55.73 55.17 1x3e s ARG 82 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 34.95 31.73 1x3e s ARG 82 CO 0.00 0.43 0.91 -1.17 0.00 0.00 0.00 175.30 175.47 1x3e s LEU 83 N -0.06 4.27 0.14 2.53 2.96 -0.45 -0.53 118.68 127.53 1x3e s LEU 83 Ca 0.08 1.43 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 1x3e s LEU 83 Cb -0.12 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1x3e s LEU 83 CO 0.01 -0.33 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.97 1x3e s LYS 84 N 1.58 1.22 -0.00 1.98 -0.14 0.29 -4.71 119.74 119.95 1x3e s LYS 84 Ca 0.45 -1.31 -0.00 0.00 -1.36 0.00 0.00 55.97 53.74 1x3e s LYS 84 Cb -0.18 -1.35 -0.00 0.00 -1.68 0.00 0.00 37.83 34.62 1x3e s LYS 84 CO 0.19 0.29 0.01 -1.14 -0.76 0.00 0.00 175.35 173.94 1x3e s GLN 85 N -2.46 0.06 0.03 1.68 0.74 -1.26 -0.09 119.66 118.36 1x3e s GLN 85 Ca 0.12 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.51 1x3e s GLN 85 Cb -0.07 0.02 -0.02 0.00 1.10 0.00 0.00 33.01 34.04 1x3e s GLN 85 CO 0.06 -0.01 -0.18 1.03 -0.55 0.00 0.00 175.29 175.64 1x3e s ARG 86 N -0.22 1.24 -0.12 1.67 1.81 -0.35 -5.01 118.95 117.96 1x3e s ARG 86 Ca -0.02 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 1x3e s ARG 86 Cb -0.02 -1.28 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 1x3e s ARG 86 CO -0.00 0.33 -0.18 -1.54 -0.68 0.00 0.00 175.30 173.23 1x3e s SER 87 N -1.00 3.59 -0.48 0.23 1.04 -1.26 -1.92 113.70 113.91 1x3e s SER 87 Ca 0.05 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 55.94 1x3e s SER 87 Cb -0.08 -1.53 0.12 0.00 0.10 0.00 0.00 66.02 64.63 1x3e s SER 87 CO 0.01 0.15 0.36 -0.36 0.98 0.00 0.00 173.24 174.38 1x3e s PHE 88 N 0.43 3.39 -0.08 5.02 0.40 0.17 -4.99 117.98 122.33 1x3e s PHE 88 Ca -0.13 -1.76 -0.14 0.00 -0.60 0.00 0.00 56.93 54.31 1x3e s PHE 88 Cb -0.17 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 39.82 1x3e s PHE 88 CO 0.06 -0.99 0.34 -1.21 0.70 0.00 0.00 175.22 174.12 1x3e s GLU 89 N 1.40 3.99 0.30 0.44 2.02 -1.26 -1.64 118.70 123.94 1x3e s GLU 89 Ca 0.05 0.23 -0.13 0.00 0.02 0.00 0.00 54.97 55.14 1x3e s GLU 89 Cb -0.26 -3.30 0.05 0.00 0.10 0.00 0.00 34.13 30.72 1x3e s GLU 89 CO 0.00 0.51 0.69 2.41 0.02 0.00 0.00 175.26 178.90 1x3e n THR 90 N 2.56 0.00 0.00 3.63 -1.04 -1.26 -5.02 114.28 113.16 1x3e n THR 90 Ca -0.14 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.11 1x3e n THR 90 Cb 0.53 0.79 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 1x3e n THR 90 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1x3e n ARG 91 N -0.47 0.00 0.00 -2.82 1.85 -1.26 -4.77 116.66 109.19 1x3e n ARG 91 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1x3e n ARG 91 Cb 0.49 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.67 1x3e n ARG 91 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1x3e n GLU 94 N -0.27 0.00 -4.53 2.89 4.71 -1.26 -5.28 120.64 116.90 1x3e n GLU 94 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1x3e n GLU 94 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 30.29 1x3e n GLU 94 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1x3e s LYS 95 N -3.04 3.38 -0.05 3.49 -0.14 -1.26 -4.51 119.74 117.60 1x3e s LYS 95 Ca 0.00 -0.67 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1x3e s LYS 95 Cb 0.00 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1x3e s LYS 95 CO 0.00 0.10 -0.06 0.50 -0.76 0.00 0.00 175.35 175.14 1x3e s ARG 96 N 0.65 0.96 0.08 1.68 3.52 -0.65 -5.01 118.95 120.16 1x3e s ARG 96 Ca -0.06 -0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.46 1x3e s ARG 96 Cb -0.15 -0.92 -0.03 0.00 -1.56 0.00 0.00 34.95 32.29 1x3e s ARG 96 CO 0.03 -0.06 -0.21 0.95 -0.81 0.00 0.00 175.30 175.20 1x3e s THR 97 N 0.87 1.67 0.13 4.11 -4.23 -1.26 0.46 115.64 117.38 1x3e s THR 97 Ca -0.12 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1x3e s THR 97 Cb -0.15 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1x3e s THR 97 CO 0.01 0.04 -0.13 0.68 -0.54 0.00 0.00 174.62 174.68 1x3e s VAL 98 N -1.02 1.27 0.40 2.29 -7.23 -0.81 -5.01 120.40 110.30 1x3e s VAL 98 Ca 0.07 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1x3e s VAL 98 Cb -0.09 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1x3e s VAL 98 CO 0.03 -0.52 0.19 0.68 -0.31 0.00 0.00 175.10 175.17 1x3e s VAL 99 N -2.50 2.50 -0.09 1.32 -7.23 -1.26 -1.21 120.40 111.93 1x3e s VAL 99 Ca 0.11 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 1x3e s VAL 99 Cb -0.03 -2.99 0.10 0.00 0.56 0.00 0.00 36.38 34.03 1x3e s VAL 99 CO 0.02 -0.04 0.85 -0.70 -0.31 0.00 0.00 175.10 174.92 1x3e s GLU 100 N -3.92 0.82 -0.22 4.82 2.12 0.88 -4.58 118.70 118.62 1x3e s GLU 100 Ca 0.41 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.82 1x3e s GLU 100 Cb 0.02 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1x3e s GLU 100 CO 0.23 -0.27 0.02 0.08 -0.54 0.00 0.00 175.26 174.78 1x3e s VAL 101 N -1.40 4.01 -0.57 3.70 1.01 -0.60 0.10 120.40 126.66 1x3e s VAL 101 Ca -0.05 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 1x3e s VAL 101 Cb -0.00 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1x3e s VAL 101 CO 0.04 0.39 1.04 -1.61 0.00 0.00 0.00 175.10 174.95 1x3e s GLU 102 N 1.32 3.38 -0.04 2.72 2.02 0.31 -2.06 118.70 126.34 1x3e s GLU 102 Ca 0.04 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 1x3e s GLU 102 Cb -0.15 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 1x3e s GLU 102 CO 0.02 -1.58 1.36 0.08 0.02 0.00 0.00 175.26 175.16 1x3e s VAL 103 N 4.34 3.89 -0.15 2.63 1.01 -0.46 -1.22 120.40 130.44 1x3e s VAL 103 Ca 0.34 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 1x3e s VAL 103 Cb -0.11 -3.78 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 1x3e s VAL 103 CO 0.21 -0.03 0.43 0.44 0.00 0.00 0.00 175.10 176.15 1x3e h ASP 104 N 7.96 0.00 -5.05 3.32 3.32 -1.31 -3.46 116.42 121.20 1x3e h ASP 104 Ca -0.36 -0.62 -0.16 0.00 0.02 0.00 0.00 57.03 55.91 1x3e h ASP 104 Cb 1.16 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1x3e h ASP 104 CO 0.91 1.00 -0.69 -1.61 -1.72 0.00 0.00 179.24 177.13 1x3e s GLU 105 N -2.13 0.52 -0.09 3.56 0.41 -0.91 -5.03 118.70 115.02 1x3e s GLU 105 Ca -0.17 -0.98 -0.14 0.00 -0.41 0.00 0.00 54.97 53.27 1x3e s GLU 105 Cb -0.00 0.10 0.03 0.00 -1.78 0.00 0.00 34.13 32.48 1x3e s GLU 105 CO 0.50 -0.07 0.35 -1.50 -0.49 0.00 0.00 175.26 174.05 1x3e s ILE 106 N -2.83 0.02 0.06 -1.63 2.07 -1.26 -1.54 121.20 116.08 1x3e s ILE 106 Ca -0.02 -0.15 -0.18 0.00 -1.41 0.00 0.00 60.65 58.89 1x3e s ILE 106 Cb 0.00 -0.55 0.04 0.00 0.13 0.00 0.00 42.46 42.08 1x3e s ILE 106 CO -0.06 -0.08 0.41 -0.83 -1.91 0.00 0.00 174.94 172.47 1x3e s GLY 107 N -0.32 -0.27 0.20 1.50 0.00 -0.73 -5.00 107.32 102.69 1x3e s GLY 107 Ca -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 1x3e s GLY 107 CO 0.02 -0.01 1.11 2.56 0.00 0.00 0.00 173.10 176.78 1x3e s PRO 108 N -2.67 4.60 0.39 2.90 0.04 -1.26 -0.45 135.00 138.54 1x3e s PRO 108 Ca -0.04 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1x3e s PRO 108 Cb -0.00 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 1x3e s PRO 108 CO -0.04 0.09 1.22 0.45 0.04 0.00 0.00 177.00 178.76 1x3e s SER 109 N -0.22 6.52 -0.15 6.66 0.15 -0.09 -4.83 113.70 121.74 1x3e s SER 109 Ca 0.49 2.47 0.17 0.00 0.70 0.00 0.00 55.95 59.78 1x3e s SER 109 Cb -0.30 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.12 1x3e s SER 109 CO 0.36 -0.69 1.65 0.18 1.20 0.00 0.00 173.24 175.94 1x3e n LEU 110 N 0.23 4.96 -0.13 3.45 4.77 -1.26 -4.33 117.00 124.68 1x3e n LEU 110 Ca 0.03 -2.59 -0.10 0.00 -0.03 0.00 0.00 56.01 53.32 1x3e n LEU 110 Cb 0.45 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1x3e n LEU 110 CO 0.53 0.76 0.83 -0.09 -1.33 0.00 0.00 177.39 178.10 1x3e h ARG 111 N 3.93 0.64 0.00 3.23 2.43 -1.97 -3.32 114.38 119.33 1x3e h ARG 111 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1x3e h ARG 111 Cb 1.58 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1x3e h ARG 111 CO 0.30 0.70 -0.12 0.66 -1.51 0.00 0.00 179.97 179.99 1x3e n TYR 112 N -4.53 0.00 -3.47 2.20 0.53 -1.26 -5.06 117.16 105.57 1x3e n TYR 112 Ca -0.01 -0.69 -0.12 0.00 -1.02 0.00 0.00 57.90 56.06 1x3e n TYR 112 Cb 0.23 -0.11 -0.03 0.00 -1.03 0.00 0.00 39.34 38.40 1x3e n TYR 112 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1x3e s ALA 113 N -1.95 -1.45 0.35 -0.72 0.00 -1.25 -5.17 121.76 111.57 1x3e s ALA 113 Ca 0.21 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.65 1x3e s ALA 113 Cb 0.18 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1x3e s ALA 113 CO 0.02 -0.72 0.24 0.95 0.00 0.00 0.00 175.76 176.24 1x3e s THR 114 N -3.64 3.15 -0.07 0.00 -4.23 -1.26 -4.33 115.64 105.26 1x3e s THR 114 Ca 0.01 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 58.92 1x3e s THR 114 Cb -0.00 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.79 1x3e s THR 114 CO -0.12 -0.15 0.22 0.00 -0.54 0.00 0.00 174.62 174.03 1x3e s ALA 115 N -2.39 -0.53 -0.26 3.99 0.00 -1.26 -5.05 121.76 116.25 1x3e s ALA 115 Ca 0.41 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1x3e s ALA 115 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1x3e s ALA 115 CO 0.25 -0.12 0.49 0.15 0.00 0.00 0.00 175.76 176.53 1x3e s LYS 116 N -0.10 4.05 -0.09 0.00 3.01 -1.26 -5.06 119.74 120.29 1x3e s LYS 116 Ca -0.02 0.26 -0.03 0.00 -1.01 0.00 0.00 55.97 55.17 1x3e s LYS 116 Cb -0.02 -3.66 -0.04 0.00 -1.01 0.00 0.00 37.83 33.10 1x3e s LYS 116 CO 0.01 -0.35 0.05 0.08 0.51 0.00 0.00 175.35 175.65 1x3e s VAL 117 N 2.28 4.72 -0.21 3.17 1.01 -1.26 -5.09 120.40 125.01 1x3e s VAL 117 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1x3e s VAL 117 Cb -0.16 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.28 1x3e s VAL 117 CO 0.09 0.60 0.08 0.20 0.00 0.00 0.00 175.10 176.08 1x3e s ASN 118 N -0.95 2.85 0.14 3.32 0.01 -1.26 -5.12 114.94 113.93 1x3e s ASN 118 Ca 0.14 -0.88 -0.31 0.00 -0.71 0.00 0.00 52.86 51.10 1x3e s ASN 118 Cb -0.12 -0.40 -0.10 0.00 0.41 0.00 0.00 41.25 41.05 1x3e s ASN 118 CO 0.03 -0.36 1.60 -0.54 -1.51 0.00 0.00 177.10 176.32 1x3e s LYS 119 N 2.02 4.21 0.00 -0.60 -0.14 -1.26 -5.23 119.74 118.75 1x3e s LYS 119 Ca 0.03 2.35 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 1x3e s LYS 119 Cb -0.16 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 1x3e s LYS 119 CO -0.16 -0.65 0.00 0.00 -0.76 0.00 0.00 175.35 173.79