#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjs s LEU 3 N 0.00 3.39 0.10 2.23 1.43 -1.26 -4.30 118.68 120.27 2jjs s LEU 3 Ca 0.00 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2jjs s LEU 3 Cb 0.00 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2jjs s LEU 3 CO 0.00 0.22 -0.27 -0.36 0.23 0.00 0.00 176.35 176.18 2jjs s PHE 4 N -1.19 2.32 -0.77 0.29 0.08 -1.26 -0.35 117.98 117.10 2jjs s PHE 4 Ca 0.22 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 2jjs s PHE 4 Cb -0.11 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.13 2jjs s PHE 4 CO 0.14 0.28 1.05 1.21 -0.10 0.00 0.00 175.22 177.79 2jjs s ASN 5 N -1.81 6.34 0.48 1.36 3.84 -0.17 -4.84 114.94 120.14 2jjs s ASN 5 Ca 0.13 -1.36 -0.21 0.00 0.21 0.00 0.00 52.86 51.63 2jjs s ASN 5 Cb -0.10 -2.42 -0.08 0.00 -0.55 0.00 0.00 41.25 38.10 2jjs s ASN 5 CO 0.05 -1.33 1.10 -0.54 -2.79 0.00 0.00 177.10 173.59 2jjs s LYS 6 N 3.69 3.73 -0.07 0.43 1.02 -1.26 -4.52 119.74 122.76 2jjs s LYS 6 Ca 0.27 1.58 0.02 0.00 0.02 0.00 0.00 55.97 57.86 2jjs s LYS 6 Cb -0.12 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2jjs s LYS 6 CO 0.03 -0.53 -0.12 0.99 -0.92 0.00 0.00 175.35 174.80 2jjs s THR 7 N -1.74 1.14 0.03 2.17 2.01 -1.26 -5.05 115.64 112.94 2jjs s THR 7 Ca 0.66 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 2jjs s THR 7 Cb -0.23 -1.05 -0.18 0.00 0.01 0.00 0.00 72.50 71.04 2jjs s THR 7 CO 0.28 0.36 1.46 0.50 -0.69 0.00 0.00 174.62 176.53 2jjs h LYS 8 N 7.13 -0.01 -2.99 4.92 3.64 -1.96 -3.40 116.57 123.89 2jjs h LYS 8 Ca -0.31 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2jjs h LYS 8 Cb 1.18 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 2jjs h LYS 8 CO 0.47 0.27 0.22 -1.54 -2.27 0.00 0.00 179.45 176.59 2jjs s SER 9 N -5.46 -0.55 0.11 4.20 1.04 -1.26 -1.90 113.70 109.87 2jjs s SER 9 Ca -0.15 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2jjs s SER 9 Cb 0.03 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 2jjs s SER 9 CO 0.66 -0.98 -0.13 0.68 0.98 0.00 0.00 173.24 174.45 2jjs s VAL 10 N -3.75 1.23 0.05 5.02 -7.23 -0.38 -4.92 120.40 110.42 2jjs s VAL 10 Ca 0.02 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2jjs s VAL 10 Cb -0.01 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2jjs s VAL 10 CO -0.12 -0.41 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.36 2jjs s GLU 11 N -2.54 1.32 0.18 4.82 2.12 -1.26 -1.00 118.70 122.34 2jjs s GLU 11 Ca 0.06 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.44 2jjs s GLU 11 Cb -0.05 -1.46 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 2jjs s GLU 11 CO 0.02 0.37 -0.01 -0.59 -0.54 0.00 0.00 175.26 174.51 2jjs s PHE 12 N -0.87 1.25 0.32 5.30 -0.12 -0.51 -4.97 117.98 118.38 2jjs s PHE 12 Ca 0.07 -0.99 0.01 0.00 -0.05 0.00 0.00 56.93 55.98 2jjs s PHE 12 Cb -0.09 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.58 2jjs s PHE 12 CO 0.02 -0.17 0.05 0.25 -0.05 0.00 0.00 175.22 175.32 2jjs n THR 13 N -0.26 0.00 0.18 -4.49 -2.24 -1.26 -0.59 114.28 105.62 2jjs n THR 13 Ca -0.07 -1.66 0.18 0.00 -2.27 0.00 0.00 64.05 60.24 2jjs n THR 13 Cb 0.63 0.46 0.81 0.00 -2.10 0.00 0.00 70.33 70.13 2jjs n THR 13 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2jjs h PHE 14 N 1.33 0.00 0.00 4.78 -5.15 -1.99 -2.55 116.94 113.35 2jjs h PHE 14 Ca -0.26 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.45 2jjs h PHE 14 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.02 2jjs h PHE 14 CO 0.00 0.00 -0.32 0.78 -2.00 0.00 0.00 178.31 176.77 2jjs h GLY 15 N 0.00 0.00 -5.34 6.09 0.00 -1.96 -3.43 103.07 98.43 2jjs h GLY 15 Ca 0.11 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.89 2jjs h GLY 15 CO -0.00 0.00 1.02 -1.31 0.00 0.00 0.00 176.54 176.25 2jjs s ASN 16 N -6.35 6.73 0.15 0.19 -0.87 -0.96 -4.90 114.94 108.92 2jjs s ASN 16 Ca 0.00 1.93 -0.02 0.00 -1.57 0.00 0.00 52.86 53.20 2jjs s ASN 16 Cb 0.11 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.76 2jjs s ASN 16 CO 0.67 -0.91 1.34 0.44 -2.57 0.00 0.00 177.10 176.07 2jjs h ASP 17 N 9.20 0.43 -4.50 -1.22 3.32 -1.90 -3.42 116.42 118.33 2jjs h ASP 17 Ca -0.33 -0.34 -0.27 0.00 0.02 0.00 0.00 57.03 56.11 2jjs h ASP 17 Cb 1.14 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 2jjs h ASP 17 CO 0.97 1.13 -0.68 0.42 -1.72 0.00 0.00 179.24 179.36 2jjs s THR 18 N -3.28 0.71 0.14 0.35 -4.23 -1.26 -1.69 115.64 106.39 2jjs s THR 18 Ca -0.05 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2jjs s THR 18 Cb 0.09 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 2jjs s THR 18 CO 0.85 -0.61 -0.18 0.68 -0.54 0.00 0.00 174.62 174.83 2jjs s VAL 19 N -3.63 1.69 -0.08 2.29 -7.23 0.11 -4.83 120.40 108.72 2jjs s VAL 19 Ca 0.20 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2jjs s VAL 19 Cb 0.06 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.29 2jjs s VAL 19 CO 0.01 -0.30 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.68 2jjs s VAL 20 N -1.92 1.25 -0.29 1.32 1.01 -1.26 -1.54 120.40 118.97 2jjs s VAL 20 Ca 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2jjs s VAL 20 Cb -0.06 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2jjs s VAL 20 CO 0.05 0.39 0.11 -0.63 0.00 0.00 0.00 175.10 175.02 2jjs s ILE 21 N 0.77 4.26 0.36 2.22 1.01 0.25 -4.98 121.20 125.09 2jjs s ILE 21 Ca -0.12 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 2jjs s ILE 21 Cb -0.16 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 2jjs s ILE 21 CO 0.02 0.11 1.12 -2.16 0.00 0.00 0.00 174.94 174.04 2jjs s PRO 22 N 1.56 4.29 -0.20 2.79 0.04 -1.26 -1.32 135.00 140.90 2jjs s PRO 22 Ca 0.04 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 2jjs s PRO 22 Cb -0.17 -2.83 0.10 0.00 0.04 0.00 0.00 34.50 31.65 2jjs s PRO 22 CO 0.04 -0.09 0.35 0.00 0.04 0.00 0.00 177.00 177.34 2jjs s PHE 24 N 2.52 1.17 -0.05 0.00 0.08 -1.26 -0.94 117.98 119.50 2jjs s PHE 24 Ca 0.05 -0.69 -0.26 0.00 0.12 0.00 0.00 56.93 56.15 2jjs s PHE 24 Cb -0.14 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2jjs s PHE 24 CO -0.13 -0.51 0.80 0.08 -0.10 0.00 0.00 175.22 175.36 2jjs s VAL 25 N 1.81 4.98 -0.68 -0.44 1.01 0.98 -1.00 120.40 127.07 2jjs s VAL 25 Ca 0.02 1.66 0.24 0.00 0.00 0.00 0.00 61.98 63.90 2jjs s VAL 25 Cb -0.14 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2jjs s VAL 25 CO -0.07 0.22 1.26 0.35 0.00 0.00 0.00 175.10 176.86 2jjs n THR 26 N 3.84 0.27 -2.17 3.92 -2.24 0.52 -4.31 114.28 114.11 2jjs n THR 26 Ca 0.01 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2jjs n THR 26 Cb 0.51 -0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 2jjs n THR 26 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jjs n ASN 27 N -2.00 2.92 -4.75 3.42 6.94 -1.26 -5.03 115.26 115.50 2jjs n ASN 27 Ca 0.03 -3.17 -0.41 0.00 -0.02 0.00 0.00 54.58 51.01 2jjs n ASN 27 Cb 0.43 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 2jjs n ASN 27 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2jjs s MET 28 N -3.11 4.25 -0.03 -3.83 1.75 -1.26 -4.92 119.30 112.14 2jjs s MET 28 Ca 0.40 2.35 0.05 0.00 -1.25 0.00 0.00 55.69 57.24 2jjs s MET 28 Cb 0.38 -3.09 0.08 0.00 2.84 0.00 0.00 34.83 35.04 2jjs s MET 28 CO -0.03 -0.43 0.97 0.39 -0.65 0.00 0.00 175.02 175.27 2jjs n GLU 29 N 2.05 0.56 -1.89 4.11 1.02 -1.26 -4.96 120.64 120.25 2jjs n GLU 29 Ca 0.06 -1.38 -0.41 0.00 -0.02 0.00 0.00 57.16 55.41 2jjs n GLU 29 Cb 0.40 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 31.01 2jjs n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jjs s ALA 30 N -0.83 3.58 -0.26 0.62 0.00 -1.26 -4.93 121.76 118.67 2jjs s ALA 30 Ca 0.08 1.48 0.18 0.00 0.00 0.00 0.00 51.96 53.70 2jjs s ALA 30 Cb 0.07 -3.58 -0.26 0.00 0.00 0.00 0.00 23.12 19.36 2jjs s ALA 30 CO 0.01 -0.92 0.50 1.04 0.00 0.00 0.00 175.76 176.39 2jjs n GLN 31 N 0.88 0.73 -3.67 0.00 6.02 -1.26 -4.92 117.38 115.15 2jjs n GLN 31 Ca 0.02 -0.12 -0.15 0.00 -0.01 0.00 0.00 57.00 56.74 2jjs n GLN 31 Cb 0.40 -1.41 -0.08 0.00 1.02 0.00 0.00 30.24 30.18 2jjs n GLN 31 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jjs s ASN 32 N -3.68 -0.35 0.62 1.08 3.84 -1.26 -5.04 114.94 110.14 2jjs s ASN 32 Ca -0.03 0.28 0.41 0.00 0.21 0.00 0.00 52.86 53.73 2jjs s ASN 32 Cb 0.12 0.39 2.06 0.00 -0.55 0.00 0.00 41.25 43.27 2jjs s ASN 32 CO 0.75 -0.52 2.23 0.71 -2.79 0.00 0.00 177.10 177.48 2jjs h THR 33 N 3.51 0.00 -0.00 -5.21 1.35 -1.93 -2.02 112.91 108.61 2jjs h THR 33 Ca -0.29 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2jjs h THR 33 Cb 1.17 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2jjs h THR 33 CO 0.40 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 176.38 2jjs h THR 34 N 0.00 0.16 0.00 6.82 1.35 -1.94 -1.85 112.91 117.46 2jjs h THR 34 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jjs h THR 34 Cb 0.16 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2jjs h THR 34 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 2jjs n GLU 35 N -3.31 0.02 -4.49 4.72 1.02 -0.76 -3.39 120.64 114.44 2jjs n GLU 35 Ca -0.03 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2jjs n GLU 35 Cb 0.07 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 2jjs n GLU 35 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jjs s VAL 36 N -3.01 3.42 -0.02 2.62 1.01 -0.69 -0.89 120.40 122.84 2jjs s VAL 36 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2jjs s VAL 36 Cb 0.18 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2jjs s VAL 36 CO 0.53 0.36 -0.07 -0.47 0.00 0.00 0.00 175.10 175.45 2jjs s TYR 37 N -1.00 0.69 -0.06 5.22 5.04 -0.45 -1.36 117.35 125.44 2jjs s TYR 37 Ca 0.17 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.69 2jjs s TYR 37 Cb -0.11 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.71 2jjs s TYR 37 CO 0.07 -0.05 -0.16 0.08 -1.34 0.00 0.00 175.55 174.15 2jjs s VAL 38 N 0.08 1.42 -0.06 3.14 1.01 -0.57 -0.88 120.40 124.53 2jjs s VAL 38 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2jjs s VAL 38 Cb -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2jjs s VAL 38 CO -0.00 0.41 -0.18 -0.54 0.00 0.00 0.00 175.10 174.79 2jjs s LYS 39 N 0.27 2.05 -0.16 2.72 1.02 -0.19 -1.20 119.74 124.26 2jjs s LYS 39 Ca -0.09 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 2jjs s LYS 39 Cb -0.14 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 2jjs s LYS 39 CO 0.04 0.20 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.04 2jjs s TRP 40 N 0.21 3.00 0.04 3.18 0.52 0.23 -0.19 118.94 125.93 2jjs s TRP 40 Ca -0.09 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.73 2jjs s TRP 40 Cb -0.14 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2jjs s TRP 40 CO 0.04 -0.11 -0.25 0.15 0.02 0.00 0.00 176.95 176.80 2jjs s LYS 41 N 0.51 1.87 -0.04 4.98 1.02 0.19 -0.86 119.74 127.41 2jjs s LYS 41 Ca -0.04 -1.07 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 2jjs s LYS 41 Cb -0.14 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2jjs s LYS 41 CO 0.03 0.52 0.08 0.12 -0.92 0.00 0.00 175.35 175.18 2jjs s PHE 42 N -0.82 -0.02 -1.57 3.18 5.36 -0.30 -1.23 117.98 122.58 2jjs s PHE 42 Ca 0.12 0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 56.29 2jjs s PHE 42 Cb -0.10 -0.30 0.08 0.00 -0.34 0.00 0.00 43.02 42.36 2jjs s PHE 42 CO 0.02 -0.16 0.62 1.63 -1.46 0.00 0.00 175.22 175.87 2jjs n LYS 43 N 4.76 -3.26 -0.56 10.12 5.02 -1.26 -1.60 118.16 131.38 2jjs n LYS 43 Ca -0.15 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2jjs n LYS 43 Cb 0.50 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 2jjs n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jjs n GLY 44 N -1.70 1.80 3.82 0.72 0.00 -1.26 -5.02 105.19 103.55 2jjs n GLY 44 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2jjs n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jjs s ARG 45 N -0.03 3.20 -0.68 1.61 0.52 -0.62 -5.06 118.95 117.89 2jjs s ARG 45 Ca 0.00 -0.39 -0.27 0.00 -0.52 0.00 0.00 55.73 54.55 2jjs s ARG 45 Cb 0.00 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.52 2jjs s ARG 45 CO 0.00 0.67 1.50 -0.51 0.02 0.00 0.00 175.30 176.98 2jjs s ASP 46 N -1.64 5.83 0.07 0.23 1.01 -1.26 -1.15 116.67 119.76 2jjs s ASP 46 Ca 0.22 -0.12 0.23 0.00 0.71 0.00 0.00 52.55 53.60 2jjs s ASP 46 Cb -0.12 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.40 2jjs s ASP 46 CO 0.13 -2.03 1.12 2.30 0.21 0.00 0.00 175.17 176.90 2jjs n ILE 47 N 6.71 0.23 -3.73 0.77 -6.64 -0.04 -4.66 119.36 112.00 2jjs n ILE 47 Ca 0.10 -0.25 -0.12 0.00 -1.77 0.00 0.00 62.75 60.70 2jjs n ILE 47 Cb 0.50 0.10 -0.11 0.00 -1.44 0.00 0.00 39.64 38.69 2jjs n ILE 47 CO 0.00 0.00 0.00 -0.47 -1.77 0.00 0.00 176.55 174.31 2jjs s TYR 48 N -3.19 -0.47 0.04 4.28 5.04 -1.10 -4.19 117.35 117.77 2jjs s TYR 48 Ca 0.04 1.07 0.03 0.00 -2.44 0.00 0.00 57.07 55.77 2jjs s TYR 48 Cb 0.14 0.17 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 2jjs s TYR 48 CO 0.78 -0.25 -0.08 0.95 -1.34 0.00 0.00 175.55 175.60 2jjs s THR 49 N 0.77 0.60 -0.15 4.34 -4.23 -0.54 -0.60 115.64 115.83 2jjs s THR 49 Ca -0.05 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2jjs s THR 49 Cb -0.06 -0.64 0.04 0.00 1.34 0.00 0.00 72.50 73.18 2jjs s THR 49 CO -0.05 -0.30 -0.06 0.12 -0.54 0.00 0.00 174.62 173.78 2jjs s PHE 50 N -1.22 1.66 -0.50 3.99 5.36 -0.34 -0.95 117.98 125.98 2jjs s PHE 50 Ca -0.08 -0.99 -0.16 0.00 -0.96 0.00 0.00 56.93 54.74 2jjs s PHE 50 Cb -0.09 -1.30 0.09 0.00 -0.34 0.00 0.00 43.02 41.38 2jjs s PHE 50 CO 0.01 -0.59 0.44 0.34 -1.46 0.00 0.00 175.22 173.96 2jjs s ASP 51 N 1.65 6.16 0.35 6.13 -1.08 0.01 -1.52 116.67 128.37 2jjs s ASP 51 Ca 0.02 -1.44 0.05 0.00 -0.52 0.00 0.00 52.55 50.65 2jjs s ASP 51 Cb -0.14 -2.20 0.65 0.00 -1.46 0.00 0.00 42.92 39.76 2jjs s ASP 51 CO -0.08 -0.73 1.91 1.23 0.52 0.00 0.00 175.17 178.02 2jjs h GLY 52 N 8.86 0.58 1.39 2.66 0.00 -1.39 -0.16 103.07 115.01 2jjs h GLY 52 Ca -0.29 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 46.76 2jjs h GLY 52 CO 0.93 0.29 0.35 0.00 0.00 0.00 0.00 176.54 178.12 2jjs h ALA 53 N 1.55 1.72 -0.02 3.60 0.00 -1.74 -2.81 119.26 121.56 2jjs h ALA 53 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jjs h ALA 53 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jjs h ALA 53 CO 0.00 0.23 -0.14 1.28 0.00 0.00 0.00 179.25 180.62 2jjs n LEU 54 N -4.47 2.11 -3.97 0.00 4.77 -0.92 -4.97 117.00 109.55 2jjs n LEU 54 Ca 0.06 -0.90 -0.27 0.00 -0.03 0.00 0.00 56.01 54.87 2jjs n LEU 54 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2jjs n LEU 54 CO 0.35 0.38 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.42 2jjs n ASN 55 N 0.52 -1.11 -4.16 -1.43 5.15 -0.14 -4.96 115.26 109.14 2jjs n ASN 55 Ca 0.09 -0.98 -0.33 0.00 -0.60 0.00 0.00 54.58 52.76 2jjs n ASN 55 Cb 0.39 -3.16 -0.16 0.00 -0.53 0.00 0.00 39.78 36.33 2jjs n ASN 55 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jjs s LYS 56 N -6.56 3.02 -0.13 1.20 2.47 -0.82 -4.98 119.74 113.93 2jjs s LYS 56 Ca 0.15 -0.84 -0.07 0.00 -1.56 0.00 0.00 55.97 53.66 2jjs s LYS 56 Cb -0.08 -2.51 -0.04 0.00 -1.46 0.00 0.00 37.83 33.74 2jjs s LYS 56 CO 0.88 -0.10 0.13 -1.12 0.16 0.00 0.00 175.35 175.30 2jjs s SER 57 N 1.03 6.26 -0.07 1.43 0.01 -1.26 -0.81 113.70 120.29 2jjs s SER 57 Ca -0.02 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.66 2jjs s SER 57 Cb -0.14 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.08 2jjs s SER 57 CO -0.07 0.37 -0.08 -0.89 0.41 0.00 0.00 173.24 172.98 2jjs s THR 58 N -0.77 0.84 0.06 1.44 2.01 -0.12 -4.99 115.64 114.11 2jjs s THR 58 Ca 0.14 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2jjs s THR 58 Cb -0.12 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2jjs s THR 58 CO 0.03 0.30 -0.14 0.68 -0.69 0.00 0.00 174.62 174.80 2jjs s VAL 59 N 1.01 1.13 0.69 3.82 -7.23 -1.26 -1.47 120.40 117.08 2jjs s VAL 59 Ca -0.09 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2jjs s VAL 59 Cb -0.15 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.74 2jjs s VAL 59 CO -0.00 -0.15 1.06 -2.16 -0.31 0.00 0.00 175.10 173.55 2jjs s PRO 60 N -1.55 2.90 0.60 4.82 0.04 -1.26 -4.95 135.00 135.60 2jjs s PRO 60 Ca -0.01 1.03 0.36 0.00 0.04 0.00 0.00 61.00 62.43 2jjs s PRO 60 Cb -0.09 -1.98 1.95 0.00 0.04 0.00 0.00 34.50 34.42 2jjs s PRO 60 CO 0.02 -1.13 2.24 1.79 0.04 0.00 0.00 177.00 179.95 2jjs h THR 61 N -0.59 0.24 -0.00 1.26 1.35 -1.98 -0.99 112.91 112.20 2jjs h THR 61 Ca -0.44 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2jjs h THR 61 Cb 1.21 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2jjs h THR 61 CO 0.56 0.03 -0.19 -0.90 -0.25 0.00 0.00 175.52 174.77 2jjs n ASP 62 N -3.38 0.42 -2.19 5.36 5.75 -1.26 -3.53 116.55 117.72 2jjs n ASP 62 Ca -0.02 -0.30 -0.22 0.00 -0.01 0.00 0.00 54.79 54.24 2jjs n ASP 62 Cb 0.14 -0.07 0.02 0.00 -1.03 0.00 0.00 41.12 40.17 2jjs n ASP 62 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2jjs n PHE 63 N -1.17 2.72 0.23 2.11 3.72 -0.38 -4.89 117.46 119.80 2jjs n PHE 63 Ca 0.11 -2.40 0.15 0.00 -0.05 0.00 0.00 57.45 55.25 2jjs n PHE 63 Cb 0.31 -0.28 0.80 0.00 -0.94 0.00 0.00 39.48 39.37 2jjs n PHE 63 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2jjs h SER 64 N 2.31 0.00 0.44 4.37 4.64 -1.58 -1.69 113.55 122.04 2jjs h SER 64 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2jjs h SER 64 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2jjs h SER 64 CO 0.72 0.00 -0.49 -1.54 -0.87 0.00 0.00 176.83 174.66 2jjs n SER 65 N -4.04 0.60 -4.75 4.97 3.41 -1.26 -4.96 113.62 107.59 2jjs n SER 65 Ca -0.00 -0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 57.82 2jjs n SER 65 Cb 0.22 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2jjs n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjs s ALA 66 N -2.93 3.65 0.21 7.33 0.00 -0.64 -4.52 121.76 124.87 2jjs s ALA 66 Ca 0.13 1.39 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 2jjs s ALA 66 Cb 0.18 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2jjs s ALA 66 CO 0.68 -0.80 0.72 -1.59 0.00 0.00 0.00 175.76 174.77 2jjs s LYS 67 N -0.44 1.51 0.18 0.00 -2.85 -0.69 -4.95 119.74 112.50 2jjs s LYS 67 Ca 0.60 -0.75 0.06 0.00 -1.00 0.00 0.00 55.97 54.88 2jjs s LYS 67 Cb -0.43 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2jjs s LYS 67 CO 0.45 -0.68 -0.11 0.96 0.10 0.00 0.00 175.35 176.06 2jjs s ILE 68 N -3.75 1.40 -0.61 3.79 -4.36 -1.26 -0.59 121.20 115.82 2jjs s ILE 68 Ca 0.08 -2.12 -0.22 0.00 -0.26 0.00 0.00 60.65 58.13 2jjs s ILE 68 Cb -0.04 -1.96 0.07 0.00 1.25 0.00 0.00 42.46 41.78 2jjs s ILE 68 CO -0.01 -0.66 0.88 -0.70 0.24 0.00 0.00 174.94 174.70 2jjs s GLU 69 N -3.71 3.15 0.36 0.37 2.12 -1.26 -4.91 118.70 114.81 2jjs s GLU 69 Ca 0.20 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.79 2jjs s GLU 69 Cb 0.01 -4.18 0.71 0.00 0.26 0.00 0.00 34.13 30.94 2jjs s GLU 69 CO 0.04 -1.64 1.99 0.28 -0.54 0.00 0.00 175.26 175.38 2jjs h VAL 70 N 5.96 1.08 0.00 3.70 2.07 -1.98 -1.78 116.25 125.30 2jjs h VAL 70 Ca -0.28 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jjs h VAL 70 Cb 1.08 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jjs h VAL 70 CO 1.12 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 177.32 2jjs n SER 71 N -4.46 0.35 -0.45 0.57 3.41 -1.26 -2.21 113.62 109.57 2jjs n SER 71 Ca 0.09 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 2jjs n SER 71 Cb 0.15 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.48 2jjs n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjs n GLN 72 N -1.95 1.14 -0.00 4.33 1.13 -0.67 -4.48 117.38 116.88 2jjs n GLN 72 Ca -0.00 -0.90 -0.01 0.00 -1.94 0.00 0.00 57.00 54.15 2jjs n GLN 72 Cb 0.05 -1.48 0.27 0.00 0.11 0.00 0.00 30.24 29.19 2jjs n GLN 72 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jjs h LEU 73 N 2.19 0.50 -1.74 1.08 3.38 -1.43 -2.17 115.31 117.12 2jjs h LEU 73 Ca 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2jjs h LEU 73 Cb 0.70 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jjs h LEU 73 CO 0.00 0.62 -0.17 -0.07 0.09 0.00 0.00 178.44 178.91 2jjs h LEU 74 N 0.49 0.00 0.00 1.67 3.38 -1.81 -0.28 115.31 118.76 2jjs h LEU 74 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jjs h LEU 74 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jjs h LEU 74 CO 0.02 0.17 0.00 0.29 0.09 0.00 0.00 178.44 179.01 2jjs n LYS 75 N -3.85 0.21 -0.17 1.13 5.02 -0.85 -4.70 118.16 114.95 2jjs n LYS 75 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2jjs n LYS 75 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2jjs n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jjs n GLY 76 N 1.05 0.67 3.55 0.72 0.00 -0.12 -4.85 105.19 106.21 2jjs n GLY 76 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2jjs n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jjs s ASP 77 N -2.75 6.35 -0.21 1.61 2.15 -1.01 -0.02 116.67 122.81 2jjs s ASP 77 Ca 0.00 -0.10 0.13 0.00 0.43 0.00 0.00 52.55 53.01 2jjs s ASP 77 Cb 0.00 -2.30 0.41 0.00 -0.30 0.00 0.00 42.92 40.73 2jjs s ASP 77 CO 0.00 -0.62 1.26 0.00 -0.17 0.00 0.00 175.17 175.64 2jjs n ALA 78 N 6.01 3.43 -1.73 3.66 0.00 -0.11 -3.29 120.51 128.48 2jjs n ALA 78 Ca -0.03 -3.06 -0.42 0.00 0.00 0.00 0.00 53.44 49.93 2jjs n ALA 78 Cb 0.48 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 2jjs n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jjs n SER 79 N -1.16 3.61 -4.80 0.00 7.64 -1.21 -4.66 113.62 113.04 2jjs n SER 79 Ca 0.21 1.15 -0.38 0.00 1.01 0.00 0.00 58.87 60.86 2jjs n SER 79 Cb 0.76 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.34 2jjs n SER 79 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jjs s LEU 80 N -0.40 4.46 -0.04 -3.43 2.96 -0.43 -4.38 118.68 117.42 2jjs s LEU 80 Ca 0.64 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 2jjs s LEU 80 Cb -0.53 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 2jjs s LEU 80 CO 0.49 0.22 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.95 2jjs s LYS 81 N -0.71 2.33 0.12 1.98 1.02 0.24 -0.58 119.74 124.15 2jjs s LYS 81 Ca 0.28 -0.91 -0.08 0.00 0.02 0.00 0.00 55.97 55.28 2jjs s LYS 81 Cb -0.18 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2jjs s LYS 81 CO 0.16 0.46 0.22 0.00 -0.92 0.00 0.00 175.35 175.27 2jjs s MET 82 N -0.36 0.98 0.65 1.68 0.23 -0.59 -1.70 119.30 120.20 2jjs s MET 82 Ca 0.02 -1.08 -0.12 0.00 -1.03 0.00 0.00 55.69 53.49 2jjs s MET 82 Cb -0.12 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2jjs s MET 82 CO 0.02 -0.33 1.04 0.16 -2.03 0.00 0.00 175.02 173.88 2jjs s ASP 83 N -2.92 5.79 0.53 -1.18 1.47 -1.26 0.04 116.67 119.15 2jjs s ASP 83 Ca 0.11 1.56 0.20 0.00 1.18 0.00 0.00 52.55 55.60 2jjs s ASP 83 Cb 0.04 -2.49 1.36 0.00 -0.34 0.00 0.00 42.92 41.50 2jjs s ASP 83 CO -0.06 -1.16 2.11 0.07 0.68 0.00 0.00 175.17 176.82 2jjs h LYS 84 N -0.40 0.00 -0.23 2.11 2.10 -1.58 -2.06 116.57 116.52 2jjs h LYS 84 Ca -0.44 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.16 2jjs h LYS 84 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2jjs h LYS 84 CO 0.59 0.00 -0.03 0.66 -2.00 0.00 0.00 179.45 178.67 2jjs h SER 85 N 0.00 0.42 -0.13 7.07 4.64 -1.92 0.56 113.55 124.19 2jjs h SER 85 Ca 0.07 -0.34 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 2jjs h SER 85 Cb 0.29 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2jjs h SER 85 CO -0.00 0.67 -0.16 0.44 -0.87 0.00 0.00 176.83 176.91 2jjs h ASP 86 N 0.17 0.51 -0.02 4.97 3.32 -1.83 -3.30 116.42 120.24 2jjs h ASP 86 Ca 0.06 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2jjs h ASP 86 Cb 0.47 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2jjs h ASP 86 CO 0.02 0.69 -0.10 0.00 -1.72 0.00 0.00 179.24 178.13 2jjs h ALA 87 N 1.36 0.04 0.00 3.45 0.00 -1.11 -3.14 119.26 119.86 2jjs h ALA 87 Ca 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2jjs h ALA 87 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jjs h ALA 87 CO 0.04 -0.06 -0.22 -0.24 0.00 0.00 0.00 179.25 178.77 2jjs h VAL 88 N -0.52 0.97 -0.01 0.00 3.04 -0.98 -1.05 116.25 117.70 2jjs h VAL 88 Ca -0.01 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2jjs h VAL 88 Cb 0.77 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2jjs h VAL 88 CO 0.02 0.21 -0.10 -1.54 -1.01 0.00 0.00 177.57 175.16 2jjs n SER 89 N -4.01 1.32 -2.64 3.17 3.41 -1.24 -4.35 113.62 109.28 2jjs n SER 89 Ca -0.02 -1.27 -0.11 0.00 -0.26 0.00 0.00 58.87 57.21 2jjs n SER 89 Cb 0.29 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2jjs n SER 89 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jjs n HIS 90 N -0.14 1.49 -2.23 7.33 8.25 -0.41 -5.09 115.22 124.43 2jjs n HIS 90 Ca 0.16 -2.80 -0.34 0.00 -0.26 0.00 0.00 57.72 54.48 2jjs n HIS 90 Cb 0.35 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 2jjs n HIS 90 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2jjs s THR 91 N -3.51 3.54 -4.28 1.59 -4.23 -1.17 -4.91 115.64 102.67 2jjs s THR 91 Ca 0.30 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2jjs s THR 91 Cb 0.44 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2jjs s THR 91 CO 0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2jjs n GLY 92 N -0.35 0.92 3.64 3.99 0.00 -0.61 -5.01 105.19 107.77 2jjs n GLY 92 Ca 0.10 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 2jjs n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jjs s ASN 93 N -4.00 6.49 -0.13 1.61 0.01 -1.26 -0.75 114.94 116.90 2jjs s ASN 93 Ca 0.00 0.58 -0.05 0.00 -0.71 0.00 0.00 52.86 52.68 2jjs s ASN 93 Cb 0.00 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 2jjs s ASN 93 CO 0.00 -0.22 0.05 -0.31 -1.51 0.00 0.00 177.10 175.11 2jjs s TYR 94 N 1.94 3.28 -0.21 2.20 2.02 -0.22 -4.34 117.35 122.02 2jjs s TYR 94 Ca 0.22 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 57.05 2jjs s TYR 94 Cb -0.15 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2jjs s TYR 94 CO 0.09 0.37 0.02 0.99 -1.57 0.00 0.00 175.55 175.46 2jjs s THR 95 N -0.35 4.17 -0.32 -0.71 2.01 -0.36 -0.86 115.64 119.21 2jjs s THR 95 Ca 0.09 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 2jjs s THR 95 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2jjs s THR 95 CO 0.02 0.42 0.22 0.00 -0.69 0.00 0.00 174.62 174.59 2jjs s GLU 97 N 1.73 3.27 -0.02 0.00 2.12 0.73 -1.32 118.70 125.20 2jjs s GLU 97 Ca 0.06 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.74 2jjs s GLU 97 Cb -0.17 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 2jjs s GLU 97 CO 0.11 -0.01 -0.22 0.08 -0.54 0.00 0.00 175.26 174.67 2jjs s VAL 98 N 0.91 1.76 -0.06 3.70 1.01 -0.47 -1.02 120.40 126.24 2jjs s VAL 98 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2jjs s VAL 98 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2jjs s VAL 98 CO -0.01 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.52 2jjs s THR 99 N -0.42 1.51 -0.23 3.92 2.01 -0.06 -1.86 115.64 120.51 2jjs s THR 99 Ca 0.06 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 2jjs s THR 99 Cb -0.10 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 71.17 2jjs s THR 99 CO 0.00 0.43 0.01 -0.70 -0.69 0.00 0.00 174.62 173.67 2jjs s GLU 100 N 0.20 1.07 4.68 4.92 2.12 0.08 -1.34 118.70 130.42 2jjs s GLU 100 Ca -0.08 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.47 2jjs s GLU 100 Cb -0.14 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.94 2jjs s GLU 100 CO 0.04 -0.68 0.00 1.28 -0.54 0.00 0.00 175.26 175.36 2jjs n LEU 101 N 4.85 0.00 -0.00 2.70 4.77 -0.07 -1.36 117.00 127.88 2jjs n LEU 101 Ca -0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 2jjs n LEU 101 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 2jjs n LEU 101 CO 0.15 0.00 -0.32 0.41 -1.33 0.00 0.00 177.39 176.29 2jjs n THR 102 N 0.00 0.00 -2.49 -5.08 -1.04 -1.26 -4.96 114.28 99.45 2jjs n THR 102 Ca 0.00 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 2jjs n THR 102 Cb 0.00 0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 69.08 2jjs n THR 102 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jjs s ARG 103 N -2.88 4.61 0.11 -2.82 0.52 -0.47 -5.05 118.95 112.97 2jjs s ARG 103 Ca 0.01 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.98 2jjs s ARG 103 Cb 0.12 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 2jjs s ARG 103 CO 0.72 0.13 -0.00 -1.83 0.02 0.00 0.00 175.30 174.34 2jjs s GLU 104 N -0.84 0.86 -0.01 3.54 -1.05 -1.26 -0.74 118.70 119.19 2jjs s GLU 104 Ca 0.47 -1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 2jjs s GLU 104 Cb -0.31 0.05 0.11 0.00 -0.44 0.00 0.00 34.13 33.54 2jjs s GLU 104 CO 0.38 -0.15 1.14 0.20 0.95 0.00 0.00 175.26 177.78 2jjs s GLY 105 N -3.04 -0.35 0.10 -3.83 0.00 -0.78 -1.49 107.32 97.94 2jjs s GLY 105 Ca 0.17 0.81 -0.06 0.00 0.00 0.00 0.00 44.72 45.64 2jjs s GLY 105 CO -0.02 0.22 0.14 -1.83 0.00 0.00 0.00 173.10 171.61 2jjs s GLU 106 N -2.72 0.87 0.01 2.90 -1.05 -1.26 -1.36 118.70 116.09 2jjs s GLU 106 Ca 0.11 -1.13 -0.11 0.00 -0.15 0.00 0.00 54.97 53.70 2jjs s GLU 106 Cb 0.01 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2jjs s GLU 106 CO -0.03 -0.26 0.23 -0.08 0.95 0.00 0.00 175.26 176.06 2jjs s THR 107 N -3.92 0.08 -0.05 1.83 -1.32 -0.43 -4.95 115.64 106.88 2jjs s THR 107 Ca 0.11 -0.67 0.04 0.00 -1.21 0.00 0.00 61.69 59.96 2jjs s THR 107 Cb 0.06 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 2jjs s THR 107 CO -0.07 -0.37 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.19 2jjs s ILE 108 N -1.79 2.96 -0.04 5.08 1.01 -1.26 -0.68 121.20 126.49 2jjs s ILE 108 Ca -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2jjs s ILE 108 Cb -0.04 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.30 2jjs s ILE 108 CO 0.01 0.59 -0.02 -0.63 0.00 0.00 0.00 174.94 174.88 2jjs s ILE 109 N -0.72 0.37 -0.21 2.92 1.09 -0.04 -4.72 121.20 119.88 2jjs s ILE 109 Ca 0.11 -0.02 -0.23 0.00 -1.10 0.00 0.00 60.65 59.41 2jjs s ILE 109 Cb -0.11 -0.42 -0.02 0.00 -1.06 0.00 0.00 42.46 40.85 2jjs s ILE 109 CO 0.00 0.19 0.73 -0.70 -0.10 0.00 0.00 174.94 175.06 2jjs s GLU 110 N 0.96 4.21 -0.26 2.79 2.12 -0.80 -1.05 118.70 126.66 2jjs s GLU 110 Ca -0.11 0.79 -0.23 0.00 0.36 0.00 0.00 54.97 55.79 2jjs s GLU 110 Cb -0.14 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 2jjs s GLU 110 CO -0.01 -0.37 0.76 -1.17 -0.54 0.00 0.00 175.26 173.94 2jjs s LEU 111 N 2.33 4.08 -0.07 2.70 2.96 0.07 -1.25 118.68 129.49 2jjs s LEU 111 Ca 0.32 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 2jjs s LEU 111 Cb -0.16 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 2jjs s LEU 111 CO 0.10 -0.50 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.89 2jjs s LYS 112 N 2.78 2.66 -0.17 1.98 1.02 -0.17 -1.57 119.74 126.26 2jjs s LYS 112 Ca 0.32 -0.80 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 2jjs s LYS 112 Cb -0.15 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 2jjs s LYS 112 CO 0.09 0.44 0.04 -0.47 -0.92 0.00 0.00 175.35 174.53 2jjs s TYR 113 N -0.28 3.21 -0.22 3.18 5.04 -1.26 -1.42 117.35 125.60 2jjs s TYR 113 Ca 0.01 0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.58 2jjs s TYR 113 Cb -0.13 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 2jjs s TYR 113 CO 0.03 0.13 0.03 0.50 -1.34 0.00 0.00 175.55 174.90 2jjs s ARG 114 N 0.33 3.63 -0.11 4.97 3.52 0.24 -4.96 118.95 126.57 2jjs s ARG 114 Ca 0.02 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 2jjs s ARG 114 Cb -0.13 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 2jjs s ARG 114 CO 0.01 -0.09 1.02 0.08 -0.81 0.00 0.00 175.30 175.50 2jjs s VAL 115 N 1.31 4.75 -1.96 7.11 1.01 -1.26 -4.41 120.40 126.95 2jjs s VAL 115 Ca 0.04 2.02 0.16 0.00 0.00 0.00 0.00 61.98 64.20 2jjs s VAL 115 Cb -0.15 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.06 2jjs s VAL 115 CO 0.02 -0.01 1.00 0.52 0.00 0.00 0.00 175.10 176.63