#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jt2 s GLU 2 N 0.00 4.76 -1.74 0.00 4.04 -1.26 -3.46 118.70 121.04 3jt2 s GLU 2 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 54.97 56.63 3jt2 s GLU 2 Cb 0.00 -3.24 0.00 0.00 0.02 0.00 0.00 34.13 30.91 3jt2 s GLU 2 CO 0.00 0.39 0.00 0.00 -1.84 0.00 0.00 175.26 173.81 3jt2 s SER 4 N -2.29 -0.10 -0.15 0.00 1.04 -1.23 -1.75 113.70 109.23 3jt2 s SER 4 Ca 0.00 -0.60 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 3jt2 s SER 4 Cb 0.00 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.72 3jt2 s SER 4 CO 0.00 -1.06 0.48 0.54 0.98 0.00 0.00 173.24 174.18 3jt2 s VAL 5 N -2.85 0.01 -0.20 5.02 0.11 -0.37 -4.72 120.40 117.40 3jt2 s VAL 5 Ca 0.16 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 3jt2 s VAL 5 Cb -0.03 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3jt2 s VAL 5 CO 0.05 -0.04 0.05 -1.81 -3.33 0.00 0.00 175.10 170.02 3jt2 s ASP 6 N -0.08 5.34 -0.03 3.54 1.11 -1.26 -1.24 116.67 124.04 3jt2 s ASP 6 Ca -0.03 -0.04 0.06 0.00 0.18 0.00 0.00 52.55 52.72 3jt2 s ASP 6 Cb -0.03 -1.92 -0.01 0.00 1.07 0.00 0.00 42.92 42.02 3jt2 s ASP 6 CO 0.02 0.11 -0.20 -0.51 1.18 0.00 0.00 175.17 175.76 3jt2 s ILE 7 N 0.76 1.64 0.00 0.77 2.07 0.43 -4.93 121.20 121.94 3jt2 s ILE 7 Ca 0.03 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 3jt2 s ILE 7 Cb -0.14 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.04 3jt2 s ILE 7 CO 0.02 0.46 0.02 -1.10 -1.91 0.00 0.00 174.94 172.43 3jt2 s GLN 8 N -0.34 2.83 -0.12 3.50 -0.21 -1.26 -1.74 119.66 122.31 3jt2 s GLN 8 Ca 0.04 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 54.83 3jt2 s GLN 8 Cb -0.09 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.24 3jt2 s GLN 8 CO 0.00 0.62 -0.15 0.20 -2.12 0.00 0.00 175.29 173.85 3jt2 s GLY 9 N -1.63 1.05 0.30 3.09 0.00 -0.99 -1.09 107.32 108.06 3jt2 s GLY 9 Ca 0.20 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3jt2 s GLY 9 CO 0.11 0.33 0.14 1.16 0.00 0.00 0.00 173.10 174.83 3jt2 n ASN 10 N 4.37 2.32 0.00 1.64 0.23 -1.00 -3.24 115.26 119.57 3jt2 n ASN 10 Ca -0.18 -2.14 0.13 0.00 -0.53 0.00 0.00 54.58 51.85 3jt2 n ASN 10 Cb 0.51 0.07 0.76 0.00 -2.08 0.00 0.00 39.78 39.04 3jt2 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3jt2 n ASP 11 N -1.61 0.00 -0.38 0.53 9.92 -1.21 -2.41 116.55 121.39 3jt2 n ASP 11 Ca -0.06 -0.95 0.13 0.00 -0.53 0.00 0.00 54.79 53.39 3jt2 n ASP 11 Cb 0.36 0.00 0.58 0.00 -0.64 0.00 0.00 41.12 41.41 3jt2 n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3jt2 n GLN 12 N -0.96 1.52 -3.17 -1.24 3.00 -1.26 -4.92 117.38 110.34 3jt2 n GLN 12 Ca 0.19 -0.75 -0.15 0.00 -0.01 0.00 0.00 57.00 56.28 3jt2 n GLN 12 Cb 0.09 -1.46 0.05 0.00 0.00 0.00 0.00 30.24 28.92 3jt2 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3jt2 n MET 13 N -0.07 -4.97 -4.35 -1.09 2.81 -1.01 -5.03 117.12 103.41 3jt2 n MET 13 Ca 0.19 0.52 -0.22 0.00 -1.81 0.00 0.00 57.70 56.38 3jt2 n MET 13 Cb 0.29 -4.62 -0.16 0.00 -0.71 0.00 0.00 33.22 28.01 3jt2 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3jt2 s GLN 14 N -5.77 1.23 0.25 0.03 1.11 -1.26 -4.48 119.66 110.77 3jt2 s GLN 14 Ca 0.35 -0.25 -0.23 0.00 0.01 0.00 0.00 55.36 55.24 3jt2 s GLN 14 Cb -0.15 -1.10 -0.09 0.00 -1.01 0.00 0.00 33.01 30.66 3jt2 s GLN 14 CO 0.46 -0.03 0.82 -0.06 0.01 0.00 0.00 175.29 176.48 3jt2 s PHE 15 N 0.81 3.71 -2.02 0.91 0.08 -1.25 -2.38 117.98 117.83 3jt2 s PHE 15 Ca -0.13 1.58 0.21 0.00 0.12 0.00 0.00 56.93 58.72 3jt2 s PHE 15 Cb -0.15 -2.76 1.22 0.00 -0.57 0.00 0.00 43.02 40.76 3jt2 s PHE 15 CO 0.02 0.32 1.79 0.27 -0.10 0.00 0.00 175.22 177.52 3jt2 n ASN 16 N 0.81 0.11 -3.79 1.36 0.23 -0.25 -4.68 115.26 109.05 3jt2 n ASN 16 Ca -0.01 -1.37 -0.13 0.00 -0.53 0.00 0.00 54.58 52.54 3jt2 n ASN 16 Cb 0.50 -0.01 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 3jt2 n ASN 16 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3jt2 s THR 17 N -1.99 0.02 -2.12 5.53 -1.32 -1.26 -5.00 115.64 109.50 3jt2 s THR 17 Ca 0.31 -0.16 0.17 0.00 -1.21 0.00 0.00 61.69 60.81 3jt2 s THR 17 Cb 0.15 -0.42 0.16 0.00 -1.51 0.00 0.00 72.50 70.87 3jt2 s THR 17 CO 0.24 -0.09 1.07 -0.46 -2.21 0.00 0.00 174.62 173.18 3jt2 n ASN 18 N 2.49 2.50 -3.70 8.08 0.23 -1.26 -4.79 115.26 118.81 3jt2 n ASN 18 Ca -0.15 -1.74 -0.11 0.00 -0.53 0.00 0.00 54.58 52.05 3jt2 n ASN 18 Cb 0.57 -0.02 -0.10 0.00 -2.08 0.00 0.00 39.78 38.15 3jt2 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jt2 s ALA 19 N -1.41 -1.16 -0.08 -2.53 0.00 -1.26 -0.44 121.76 114.87 3jt2 s ALA 19 Ca 0.21 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.74 3jt2 s ALA 19 Cb 0.15 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3jt2 s ALA 19 CO 0.22 -0.26 -0.15 0.42 0.00 0.00 0.00 175.76 175.99 3jt2 s ILE 20 N 1.03 1.35 -0.17 0.00 1.01 0.14 -4.94 121.20 119.62 3jt2 s ILE 20 Ca -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3jt2 s ILE 20 Cb -0.06 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3jt2 s ILE 20 CO -0.09 0.40 -0.08 -0.89 0.00 0.00 0.00 174.94 174.28 3jt2 s THR 21 N 0.66 3.30 -0.28 2.92 2.01 -1.26 -0.50 115.64 122.50 3jt2 s THR 21 Ca -0.14 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 3jt2 s THR 21 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3jt2 s THR 21 CO 0.04 0.48 0.13 -0.69 -0.69 0.00 0.00 174.62 173.89 3jt2 s VAL 22 N 0.80 4.64 0.20 3.82 1.01 0.12 -4.95 120.40 126.04 3jt2 s VAL 22 Ca -0.03 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.44 3jt2 s VAL 22 Cb -0.15 -3.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 3jt2 s VAL 22 CO 0.01 0.23 1.56 -0.67 0.00 0.00 0.00 175.10 176.23 3jt2 n ASP 23 N 4.98 3.19 0.31 3.32 2.03 -1.26 -1.26 116.55 127.85 3jt2 n ASP 23 Ca -0.15 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.45 3jt2 n ASP 23 Cb 0.51 -1.46 1.01 0.00 -0.72 0.00 0.00 41.12 40.46 3jt2 n ASP 23 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3jt2 h LYS 24 N 5.53 0.00 0.00 -0.67 3.64 -0.95 -0.09 116.57 124.03 3jt2 h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3jt2 h LYS 24 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3jt2 h LYS 24 CO 0.86 0.00 -0.52 1.03 -2.27 0.00 0.00 179.45 178.55 3jt2 h SER 25 N 0.00 0.00 -3.36 4.20 0.87 -1.88 -3.45 113.55 109.93 3jt2 h SER 25 Ca 0.02 -0.05 -0.53 0.00 -1.23 0.00 0.00 61.79 60.00 3jt2 h SER 25 Cb 0.29 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.32 3jt2 h SER 25 CO -0.00 0.03 0.85 0.00 -0.53 0.00 0.00 176.83 177.18 3jt2 n LYS 27 N 2.15 0.68 -4.37 0.00 5.02 -1.26 -4.66 118.16 115.72 3jt2 n LYS 27 Ca 0.08 0.23 -0.25 0.00 -2.02 0.00 0.00 58.31 56.35 3jt2 n LYS 27 Cb 0.38 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 3jt2 n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jt2 s GLN 28 N -2.56 1.36 -0.06 1.97 1.11 -1.26 -0.75 119.66 119.46 3jt2 s GLN 28 Ca -0.13 -1.41 0.01 0.00 0.01 0.00 0.00 55.36 53.84 3jt2 s GLN 28 Cb 0.07 -1.60 0.02 0.00 -1.01 0.00 0.00 33.01 30.50 3jt2 s GLN 28 CO 0.79 0.35 -0.07 0.12 0.01 0.00 0.00 175.29 176.49 3jt2 s PHE 29 N -1.68 1.02 -0.12 0.91 5.36 -0.95 -4.77 117.98 117.75 3jt2 s PHE 29 Ca 0.16 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 3jt2 s PHE 29 Cb -0.08 -0.85 -0.00 0.00 -0.34 0.00 0.00 43.02 41.75 3jt2 s PHE 29 CO 0.07 -0.26 -0.20 0.99 -1.46 0.00 0.00 175.22 174.36 3jt2 s THR 30 N 1.03 2.34 -0.14 0.12 2.01 -0.72 -0.82 115.64 119.47 3jt2 s THR 30 Ca -0.09 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 3jt2 s THR 30 Cb -0.14 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 3jt2 s THR 30 CO -0.00 0.54 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 3jt2 s VAL 31 N 0.50 3.56 -0.40 3.82 1.01 0.19 -1.24 120.40 127.84 3jt2 s VAL 31 Ca -0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3jt2 s VAL 31 Cb -0.17 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.77 3jt2 s VAL 31 CO 0.05 0.51 0.21 0.20 0.00 0.00 0.00 175.10 176.07 3jt2 s ASN 32 N 0.31 5.38 -0.15 3.32 0.01 -0.38 -0.66 114.94 122.78 3jt2 s ASN 32 Ca -0.06 -1.71 -0.12 0.00 -0.71 0.00 0.00 52.86 50.26 3jt2 s ASN 32 Cb -0.15 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.58 3jt2 s ASN 32 CO 0.04 -0.51 0.24 -0.22 -1.51 0.00 0.00 177.10 175.14 3jt2 s LEU 33 N 1.28 4.27 0.25 0.60 2.96 0.37 -0.43 118.68 127.99 3jt2 s LEU 33 Ca 0.04 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3jt2 s LEU 33 Cb -0.23 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 3jt2 s LEU 33 CO -0.01 0.18 0.11 -0.94 -1.32 0.00 0.00 176.35 174.36 3jt2 s SER 34 N 0.12 1.04 -0.35 3.68 1.04 -0.71 0.54 113.70 119.06 3jt2 s SER 34 Ca 0.15 -1.40 0.01 0.00 0.48 0.00 0.00 55.95 55.19 3jt2 s SER 34 Cb -0.13 0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.35 3jt2 s SER 34 CO 0.03 -0.76 0.29 -2.28 0.98 0.00 0.00 173.24 171.50 3jt2 s HIS 35 N -3.81 0.07 0.45 5.02 2.46 -0.99 -2.33 115.29 116.16 3jt2 s HIS 35 Ca 0.38 -1.01 -0.23 0.00 0.47 0.00 0.00 55.06 54.66 3jt2 s HIS 35 Cb 0.07 -0.62 -0.08 0.00 -0.13 0.00 0.00 32.58 31.83 3jt2 s HIS 35 CO 0.14 -0.90 1.18 -1.25 -2.47 0.00 0.00 174.74 171.43 3jt2 s PRO 36 N 1.49 3.79 0.00 2.88 0.04 -1.20 0.18 135.00 142.18 3jt2 s PRO 36 Ca 0.16 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3jt2 s PRO 36 Cb -0.18 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.90 3jt2 s PRO 36 CO -0.09 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3jt2 n GLY 37 N 0.50 0.95 0.00 0.56 0.00 -1.26 -3.35 105.19 102.58 3jt2 n GLY 37 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3jt2 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jt2 n ASN 38 N 0.45 1.03 -4.81 1.61 5.03 -1.26 -4.54 115.26 112.78 3jt2 n ASN 38 Ca 0.00 -0.07 -0.36 0.00 0.87 0.00 0.00 54.58 55.02 3jt2 n ASN 38 Cb 0.00 0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 39.05 3jt2 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3jt2 s LEU 39 N -0.91 4.34 0.64 3.41 1.43 -1.26 -4.89 118.68 121.45 3jt2 s LEU 39 Ca 0.00 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.47 3jt2 s LEU 39 Cb 0.00 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 3jt2 s LEU 39 CO 0.00 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 3jt2 s PRO 40 N -1.99 2.98 0.55 1.29 0.04 -1.26 -2.69 135.00 133.92 3jt2 s PRO 40 Ca 0.45 1.30 0.28 0.00 0.04 0.00 0.00 61.00 63.06 3jt2 s PRO 40 Cb -0.17 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 33.84 3jt2 s PRO 40 CO 0.22 -1.09 1.96 -0.22 0.04 0.00 0.00 177.00 177.90 3jt2 h LYS 41 N 0.11 0.00 -0.01 4.56 3.64 -1.82 -0.84 116.57 122.21 3jt2 h LYS 41 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3jt2 h LYS 41 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3jt2 h LYS 41 CO 0.55 0.00 -0.09 0.27 -2.27 0.00 0.00 179.45 177.92 3jt2 n ASN 42 N -4.18 0.70 0.00 4.20 6.94 -1.26 0.40 115.26 122.05 3jt2 n ASN 42 Ca 0.11 -0.89 0.00 0.00 -0.02 0.00 0.00 54.58 53.78 3jt2 n ASN 42 Cb 0.68 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 3jt2 n ASN 42 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3jt2 n VAL 43 N -0.67 0.00 -2.77 3.53 3.14 -0.89 -4.84 118.33 115.83 3jt2 n VAL 43 Ca 0.17 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.52 3jt2 n VAL 43 Cb 0.28 0.16 0.05 0.00 -1.06 0.00 0.00 33.84 33.27 3jt2 n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3jt2 n MET 44 N -1.35 1.52 -2.44 1.45 0.00 -0.37 -5.03 117.12 110.89 3jt2 n MET 44 Ca 0.00 -3.24 -0.36 0.00 -0.00 0.00 0.00 57.70 54.10 3jt2 n MET 44 Cb 0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 33.22 31.95 3jt2 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3jt2 s GLY 45 N -3.36 2.68 0.01 -5.12 0.00 0.16 -4.66 107.32 97.04 3jt2 s GLY 45 Ca 0.26 0.75 0.03 0.00 0.00 0.00 0.00 44.72 45.76 3jt2 s GLY 45 CO -0.02 1.15 -0.10 0.30 0.00 0.00 0.00 173.10 174.42 3jt2 s HIS 46 N -1.73 0.90 0.04 1.90 3.76 -0.53 -4.66 115.29 114.98 3jt2 s HIS 46 Ca 0.63 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 55.26 3jt2 s HIS 46 Cb -0.22 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 3jt2 s HIS 46 CO 0.27 -0.01 0.03 -1.54 -0.85 0.00 0.00 174.74 172.64 3jt2 s SER 47 N -0.66 0.32 -0.38 1.40 1.04 -1.26 -0.21 113.70 113.95 3jt2 s SER 47 Ca 0.01 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 3jt2 s SER 47 Cb -0.06 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.34 3jt2 s SER 47 CO 0.00 -0.53 0.17 0.86 0.98 0.00 0.00 173.24 174.72 3jt2 s TRP 48 N -3.06 3.37 -0.12 5.02 -0.00 -1.26 -3.18 118.94 119.71 3jt2 s TRP 48 Ca -0.01 -1.78 0.03 0.00 -0.00 0.00 0.00 56.10 54.34 3jt2 s TRP 48 Cb 0.02 -2.73 0.00 0.00 -0.00 0.00 0.00 33.47 30.75 3jt2 s TRP 48 CO -0.07 -0.85 -0.22 0.08 -0.00 0.00 0.00 176.95 175.90 3jt2 s VAL 49 N 1.32 2.19 -0.19 5.86 1.01 -0.29 -1.04 120.40 129.26 3jt2 s VAL 49 Ca 0.02 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3jt2 s VAL 49 Cb -0.22 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3jt2 s VAL 49 CO 0.00 0.55 0.08 -0.22 0.00 0.00 0.00 175.10 175.51 3jt2 s LEU 50 N 0.57 3.86 0.22 3.92 2.96 -0.47 -0.99 118.68 128.75 3jt2 s LEU 50 Ca -0.13 0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 3jt2 s LEU 50 Cb -0.17 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3jt2 s LEU 50 CO 0.04 0.15 0.36 -0.94 -1.32 0.00 0.00 176.35 174.64 3jt2 s SER 51 N 0.50 -0.01 0.86 3.68 1.04 -0.65 0.32 113.70 119.43 3jt2 s SER 51 Ca 0.04 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 3jt2 s SER 51 Cb -0.12 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.61 3jt2 s SER 51 CO 0.01 -1.01 1.10 0.42 0.98 0.00 0.00 173.24 174.73 3jt2 s THR 52 N -4.03 2.82 0.40 2.02 -4.23 -1.26 -0.57 115.64 110.79 3jt2 s THR 52 Ca 0.24 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3jt2 s THR 52 Cb 0.02 -2.67 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3jt2 s THR 52 CO 0.07 -0.35 2.04 0.00 -0.54 0.00 0.00 174.62 175.84 3jt2 h ALA 53 N -1.47 1.67 0.00 3.99 0.00 -1.41 -2.61 119.26 119.42 3jt2 h ALA 53 Ca -0.47 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3jt2 h ALA 53 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3jt2 h ALA 53 CO 0.51 0.29 -0.38 0.00 0.00 0.00 0.00 179.25 179.67 3jt2 h ALA 54 N 1.72 1.11 -0.02 0.00 0.00 -1.90 -3.15 119.26 117.01 3jt2 h ALA 54 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jt2 h ALA 54 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3jt2 h ALA 54 CO -0.03 0.48 -0.20 -0.25 0.00 0.00 0.00 179.25 179.25 3jt2 n ASP 55 N -3.71 2.33 -0.06 0.00 8.00 -1.00 -4.58 116.55 117.53 3jt2 n ASP 55 Ca -0.01 -1.67 -0.09 0.00 0.71 0.00 0.00 54.79 53.73 3jt2 n ASP 55 Cb 0.47 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3jt2 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3jt2 h MET 56 N 3.20 -0.33 -0.81 -1.24 4.05 -1.46 -1.17 114.93 117.17 3jt2 h MET 56 Ca 0.00 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3jt2 h MET 56 Cb 0.78 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.61 3jt2 h MET 56 CO 0.00 -0.22 0.49 0.37 0.23 0.00 0.00 176.91 177.78 3jt2 h GLN 57 N -0.34 1.10 -0.85 0.39 5.75 -1.81 0.27 115.11 119.62 3jt2 h GLN 57 Ca 0.13 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3jt2 h GLN 57 Cb 0.55 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 3jt2 h GLN 57 CO -0.45 0.77 0.42 0.78 -2.65 0.00 0.00 178.83 177.70 3jt2 h GLY 58 N 1.14 1.31 1.00 2.39 0.00 -1.55 0.14 103.07 107.50 3jt2 h GLY 58 Ca 0.29 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3jt2 h GLY 58 CO -0.05 0.61 -0.27 -2.08 0.00 0.00 0.00 176.54 174.75 3jt2 h VAL 59 N 1.21 1.29 0.56 4.60 2.07 -0.55 -1.46 116.25 123.97 3jt2 h VAL 59 Ca 0.29 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3jt2 h VAL 59 Cb 0.11 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3jt2 h VAL 59 CO -0.04 0.46 -0.27 0.58 0.02 0.00 0.00 177.57 178.33 3jt2 h VAL 60 N 0.52 0.44 -0.38 2.57 2.07 -0.07 -0.13 116.25 121.28 3jt2 h VAL 60 Ca 0.06 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3jt2 h VAL 60 Cb 0.84 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3jt2 h VAL 60 CO 0.07 0.01 -0.05 0.74 0.02 0.00 0.00 177.57 178.36 3jt2 h THR 61 N -0.79 0.66 -0.10 2.57 2.02 -0.73 -1.23 112.91 115.32 3jt2 h THR 61 Ca -0.08 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 3jt2 h THR 61 Cb 0.59 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3jt2 h THR 61 CO 0.13 0.01 -0.57 0.44 0.37 0.00 0.00 175.52 175.89 3jt2 h ASP 62 N 0.04 0.35 -0.50 4.18 3.32 -1.26 -3.14 116.42 119.41 3jt2 h ASP 62 Ca 0.18 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3jt2 h ASP 62 Cb 0.27 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3jt2 h ASP 62 CO -0.35 0.85 0.29 1.23 -1.72 0.00 0.00 179.24 179.53 3jt2 h GLY 63 N 1.35 0.70 2.00 2.75 0.00 -0.16 -2.59 103.07 107.12 3jt2 h GLY 63 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3jt2 h GLY 63 CO 0.09 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.81 3jt2 h MET 64 N 0.58 0.00 0.00 4.80 -0.00 -1.21 -1.71 114.93 117.38 3jt2 h MET 64 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 3jt2 h MET 64 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 3jt2 h MET 64 CO -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.81 3jt2 n ALA 65 N -1.80 2.36 0.81 -3.00 0.00 -0.98 -3.67 120.51 114.23 3jt2 n ALA 65 Ca 0.05 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3jt2 n ALA 65 Cb 0.38 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.47 3jt2 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3jt2 n SER 66 N -1.20 0.66 -0.39 0.00 7.64 -0.65 -5.07 113.62 114.61 3jt2 n SER 66 Ca 0.15 -0.40 0.03 0.00 1.01 0.00 0.00 58.87 59.66 3jt2 n SER 66 Cb 0.17 0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 3jt2 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jt2 n GLY 67 N 1.44 -2.91 0.35 0.23 0.00 -1.24 -3.95 105.19 99.12 3jt2 n GLY 67 Ca 0.04 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.90 3jt2 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jt2 h LEU 68 N -0.27 0.19 -1.82 0.99 7.12 -1.93 -1.35 115.31 118.23 3jt2 h LEU 68 Ca -0.04 0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.12 3jt2 h LEU 68 Cb 0.34 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.41 3jt2 h LEU 68 CO 0.02 0.11 0.42 -2.24 -0.13 0.00 0.00 178.44 176.61 3jt2 h ASP 69 N 0.21 0.17 -0.48 1.25 2.03 -2.02 0.89 116.42 118.47 3jt2 h ASP 69 Ca 0.24 0.01 -0.24 0.00 -0.73 0.00 0.00 57.03 56.31 3jt2 h ASP 69 Cb 0.68 -0.03 -0.15 0.00 -0.83 0.00 0.00 39.33 39.01 3jt2 h ASP 69 CO -0.04 0.09 0.06 0.29 -1.03 0.00 0.00 179.24 178.61 3jt2 n LYS 70 N -4.42 1.94 -1.96 4.15 4.76 -0.57 -4.92 118.16 117.13 3jt2 n LYS 70 Ca 0.11 -3.16 -0.18 0.00 -2.87 0.00 0.00 58.31 52.21 3jt2 n LYS 70 Cb 0.54 -1.89 -0.04 0.00 -1.84 0.00 0.00 35.03 31.80 3jt2 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3jt2 n ASP 71 N -1.12 -5.08 -3.75 4.39 9.92 0.31 -2.31 116.55 118.90 3jt2 n ASP 71 Ca 0.38 0.25 -0.24 0.00 -0.53 0.00 0.00 54.79 54.66 3jt2 n ASP 71 Cb 1.16 -4.40 0.04 0.00 -0.64 0.00 0.00 41.12 37.28 3jt2 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3jt2 n TYR 72 N -3.00 -2.09 -3.80 1.24 4.01 -0.83 -4.78 117.16 107.90 3jt2 n TYR 72 Ca -0.20 0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 58.27 3jt2 n TYR 72 Cb 0.63 -4.33 -0.16 0.00 -0.31 0.00 0.00 39.34 35.18 3jt2 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3jt2 s LEU 73 N -6.88 1.23 0.18 7.72 2.01 -0.98 -4.22 118.68 117.74 3jt2 s LEU 73 Ca 0.23 0.03 -0.31 0.00 0.01 0.00 0.00 54.13 54.09 3jt2 s LEU 73 Cb -0.12 -0.07 -0.10 0.00 0.01 0.00 0.00 46.19 45.92 3jt2 s LEU 73 CO 0.81 -0.11 1.53 -0.75 1.01 0.00 0.00 176.35 178.85 3jt2 s LYS 74 N 0.89 4.23 0.06 1.70 2.20 -1.26 -4.86 119.74 122.70 3jt2 s LYS 74 Ca -0.08 2.34 -0.36 0.00 -0.36 0.00 0.00 55.97 57.51 3jt2 s LYS 74 Cb -0.11 -3.15 -0.16 0.00 -1.51 0.00 0.00 37.83 32.91 3jt2 s LYS 74 CO -0.02 -0.56 1.48 -2.30 -0.36 0.00 0.00 175.35 173.59 3jt2 n PRO 75 N 3.58 1.48 -3.14 4.03 -0.02 -1.26 -1.81 135.00 137.86 3jt2 n PRO 75 Ca 0.12 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 3jt2 n PRO 75 Cb 0.39 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3jt2 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jt2 n ASP 76 N 3.32 -4.05 -4.54 2.55 8.00 -1.26 -4.80 116.55 115.77 3jt2 n ASP 76 Ca 0.19 -0.26 -0.46 0.00 0.71 0.00 0.00 54.79 54.97 3jt2 n ASP 76 Cb 0.22 -3.35 -0.05 0.00 -0.02 0.00 0.00 41.12 37.92 3jt2 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3jt2 n ASP 77 N -2.22 2.83 0.17 -2.24 -0.08 -0.75 -4.78 116.55 109.47 3jt2 n ASP 77 Ca -0.05 0.32 0.12 0.00 -1.51 0.00 0.00 54.79 53.67 3jt2 n ASP 77 Cb 0.56 -1.43 0.60 0.00 2.34 0.00 0.00 41.12 43.19 3jt2 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3jt2 h SER 78 N 13.76 0.00 1.89 1.67 4.64 -1.91 -2.37 113.55 131.23 3jt2 h SER 78 Ca -0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 3jt2 h SER 78 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3jt2 h SER 78 CO 0.98 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 176.86 3jt2 h ARG 79 N 0.00 0.00 -6.17 4.77 3.08 -1.97 -3.44 114.38 110.65 3jt2 h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3jt2 h ARG 79 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3jt2 h ARG 79 CO 0.00 0.08 0.77 0.08 -1.07 0.00 0.00 179.97 179.83 3jt2 s VAL 80 N -3.17 4.52 -0.07 2.04 1.01 -0.89 -4.40 120.40 119.43 3jt2 s VAL 80 Ca 0.06 1.82 0.13 0.00 0.00 0.00 0.00 61.98 63.99 3jt2 s VAL 80 Cb 0.06 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3jt2 s VAL 80 CO 0.69 -0.11 1.24 0.16 0.00 0.00 0.00 175.10 177.08 3jt2 h ILE 81 N 5.33 1.04 -2.57 2.22 -0.00 -0.43 -3.47 117.51 119.63 3jt2 h ILE 81 Ca -0.26 -2.56 0.07 0.00 -0.00 0.00 0.00 64.86 62.12 3jt2 h ILE 81 Cb 1.10 2.48 -0.13 0.00 -0.00 0.00 0.00 36.82 40.28 3jt2 h ILE 81 CO 0.94 0.59 0.38 0.00 -0.00 0.00 0.00 178.15 180.06 3jt2 s ALA 82 N -2.86 -1.69 -0.18 0.16 0.00 -1.23 -4.96 121.76 110.99 3jt2 s ALA 82 Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 3jt2 s ALA 82 Cb 0.08 0.63 0.11 0.00 0.00 0.00 0.00 23.12 23.94 3jt2 s ALA 82 CO 0.78 -0.78 0.90 -3.38 0.00 0.00 0.00 175.76 173.29 3jt2 s HIS 83 N -3.40 -0.51 0.56 0.00 -3.43 -1.26 -1.37 115.29 105.88 3jt2 s HIS 83 Ca 0.05 1.03 0.02 0.00 -0.80 0.00 0.00 55.06 55.36 3jt2 s HIS 83 Cb -0.01 0.40 0.05 0.00 -1.43 0.00 0.00 32.58 31.58 3jt2 s HIS 83 CO -0.08 -0.38 0.78 0.95 -2.00 0.00 0.00 174.74 174.02 3jt2 s THR 84 N -0.60 2.61 1.03 -5.38 -4.23 -0.21 -4.87 115.64 103.98 3jt2 s THR 84 Ca -0.02 -0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.65 3jt2 s THR 84 Cb -0.02 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 71.12 3jt2 s THR 84 CO 0.01 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.65 3jt2 s LYS 85 N -4.76 0.19 -0.15 3.99 1.02 -1.26 -4.44 119.74 114.32 3jt2 s LYS 85 Ca 0.58 0.42 -0.24 0.00 0.02 0.00 0.00 55.97 56.75 3jt2 s LYS 85 Cb -0.09 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 3jt2 s LYS 85 CO 0.39 -2.87 0.76 -1.17 -0.92 0.00 0.00 175.35 171.53 3jt2 s LEU 86 N -6.52 4.20 0.31 3.17 2.96 -1.26 -4.39 118.68 117.15 3jt2 s LEU 86 Ca 0.66 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 55.75 3jt2 s LEU 86 Cb -0.18 -3.13 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 3jt2 s LEU 86 CO 0.57 -0.30 -0.05 0.27 -1.32 0.00 0.00 176.35 175.52 3jt2 s ILE 87 N 1.76 1.72 0.35 6.68 -4.36 0.71 -4.89 121.20 123.17 3jt2 s ILE 87 Ca 0.36 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 3jt2 s ILE 87 Cb -0.17 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.01 3jt2 s ILE 87 CO 0.13 -0.23 0.25 0.61 0.24 0.00 0.00 174.94 175.95 3jt2 n GLY 88 N -0.66 2.89 3.66 6.27 0.00 -1.26 -1.45 105.19 114.64 3jt2 n GLY 88 Ca -0.05 -2.25 -0.44 0.00 0.00 0.00 0.00 46.02 43.28 3jt2 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jt2 n SER 89 N -1.87 2.39 0.00 1.61 3.41 -1.09 -1.63 113.62 116.43 3jt2 n SER 89 Ca -0.02 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3jt2 n SER 89 Cb 0.40 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 3jt2 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jt2 n GLY 90 N 1.30 0.28 4.02 5.00 0.00 0.49 -4.97 105.19 111.31 3jt2 n GLY 90 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3jt2 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jt2 s GLU 91 N -0.97 2.59 -0.03 1.61 2.02 -0.65 -4.92 118.70 118.34 3jt2 s GLU 91 Ca 0.00 -1.40 -0.18 0.00 0.02 0.00 0.00 54.97 53.41 3jt2 s GLU 91 Cb 0.00 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.56 3jt2 s GLU 91 CO 0.00 -0.55 0.40 -1.59 0.02 0.00 0.00 175.26 173.54 3jt2 s LYS 92 N -4.50 0.75 -0.10 1.61 -2.85 -1.26 -2.35 119.74 111.04 3jt2 s LYS 92 Ca 0.58 -0.05 -0.24 0.00 -1.00 0.00 0.00 55.97 55.26 3jt2 s LYS 92 Cb -0.08 0.34 0.06 0.00 -2.06 0.00 0.00 37.83 36.08 3jt2 s LYS 92 CO 0.36 -0.21 0.58 0.34 0.10 0.00 0.00 175.35 176.52 3jt2 s ASP 93 N -1.22 -0.55 0.18 0.03 2.15 0.19 -4.99 116.67 112.46 3jt2 s ASP 93 Ca -0.12 0.74 0.10 0.00 0.43 0.00 0.00 52.55 53.70 3jt2 s ASP 93 Cb -0.04 0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 43.25 3jt2 s ASP 93 CO 0.05 -0.45 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.98 3jt2 s SER 94 N -0.74 3.74 -0.13 -0.34 0.01 -1.26 0.14 113.70 115.12 3jt2 s SER 94 Ca -0.08 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.32 3jt2 s SER 94 Cb -0.02 -0.43 0.03 0.00 0.21 0.00 0.00 66.02 65.81 3jt2 s SER 94 CO 0.06 0.13 0.36 0.54 0.41 0.00 0.00 173.24 174.73 3jt2 s VAL 95 N -1.58 0.00 0.06 3.43 0.11 0.17 -4.88 120.40 117.71 3jt2 s VAL 95 Ca 0.21 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 3jt2 s VAL 95 Cb -0.09 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3jt2 s VAL 95 CO 0.11 -0.01 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.85 3jt2 s THR 96 N 0.14 3.12 0.14 5.04 2.01 -1.26 0.53 115.64 125.36 3jt2 s THR 96 Ca -0.00 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 60.75 3jt2 s THR 96 Cb -0.03 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 3jt2 s THR 96 CO 0.01 0.27 0.28 0.72 -0.69 0.00 0.00 174.62 175.20 3jt2 s PHE 97 N -1.03 0.28 -0.23 4.92 -0.71 0.00 -4.96 117.98 116.25 3jt2 s PHE 97 Ca 0.17 -0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 55.12 3jt2 s PHE 97 Cb -0.11 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 3jt2 s PHE 97 CO 0.08 -0.68 1.96 -0.51 -1.34 0.00 0.00 175.22 174.73 3jt2 s ASP 98 N -2.93 5.85 0.61 1.98 1.11 -1.26 -2.24 116.67 119.79 3jt2 s ASP 98 Ca 0.13 1.74 0.38 0.00 0.18 0.00 0.00 52.55 54.98 3jt2 s ASP 98 Cb 0.03 -2.52 1.91 0.00 1.07 0.00 0.00 42.92 43.41 3jt2 s ASP 98 CO -0.04 -1.67 2.19 0.58 1.18 0.00 0.00 175.17 177.41 3jt2 h VAL 99 N 6.72 0.08 0.00 -1.27 2.07 -1.21 -0.64 116.25 122.01 3jt2 h VAL 99 Ca -0.38 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3jt2 h VAL 99 Cb 1.20 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3jt2 h VAL 99 CO 0.99 0.01 0.00 0.77 0.02 0.00 0.00 177.57 179.36 3jt2 h SER 100 N 0.00 0.00 0.65 0.57 4.64 -1.88 -2.32 113.55 115.21 3jt2 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jt2 h SER 100 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3jt2 h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3jt2 n LYS 101 N -3.02 0.04 -4.06 4.77 5.02 -0.25 -4.66 118.16 116.01 3jt2 n LYS 101 Ca -0.01 0.24 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 3jt2 n LYS 101 Cb 0.18 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3jt2 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jt2 s LEU 102 N -3.31 3.73 -0.15 -0.35 1.43 -0.88 -5.09 118.68 114.06 3jt2 s LEU 102 Ca 0.08 0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3jt2 s LEU 102 Cb 0.11 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3jt2 s LEU 102 CO 0.34 0.17 0.09 -0.75 0.23 0.00 0.00 176.35 176.43 3jt2 s LYS 103 N 0.40 3.64 0.48 1.70 2.20 -1.26 -5.05 119.74 121.84 3jt2 s LYS 103 Ca 0.02 -0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 55.13 3jt2 s LYS 103 Cb -0.13 -3.16 -0.07 0.00 -1.51 0.00 0.00 37.83 32.96 3jt2 s LYS 103 CO 0.01 0.53 1.36 -2.00 -0.36 0.00 0.00 175.35 174.89 3jt2 s GLU 104 N -0.35 3.56 0.00 4.03 2.12 -1.26 -2.28 118.70 124.51 3jt2 s GLU 104 Ca 0.10 2.25 0.00 0.00 0.36 0.00 0.00 54.97 57.68 3jt2 s GLU 104 Cb -0.12 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.76 3jt2 s GLU 104 CO 0.01 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 3jt2 n GLY 105 N 0.63 1.91 3.88 -1.50 0.00 -1.26 -5.01 105.19 103.85 3jt2 n GLY 105 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3jt2 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jt2 s GLU 106 N -0.04 3.77 -0.14 1.61 2.12 -0.97 -5.06 118.70 119.99 3jt2 s GLU 106 Ca 0.00 0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.58 3jt2 s GLU 106 Cb 0.00 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 3jt2 s GLU 106 CO 0.00 0.15 0.06 1.14 -0.54 0.00 0.00 175.26 176.07 3jt2 s GLN 107 N -3.41 3.53 0.14 4.30 -2.07 -1.26 -4.82 119.66 116.06 3jt2 s GLN 107 Ca 0.48 -0.31 0.11 0.00 -1.82 0.00 0.00 55.36 53.82 3jt2 s GLN 107 Cb -0.11 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.70 3jt2 s GLN 107 CO 0.27 0.53 -0.26 0.71 -1.32 0.00 0.00 175.29 175.22 3jt2 s TYR 108 N -0.37 2.25 0.01 9.60 2.02 -1.18 -1.12 117.35 128.56 3jt2 s TYR 108 Ca 0.09 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 3jt2 s TYR 108 Cb -0.12 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 3jt2 s TYR 108 CO 0.02 0.35 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.56 3jt2 s MET 109 N -2.16 1.15 0.07 -0.62 -1.94 0.27 -0.79 119.30 115.27 3jt2 s MET 109 Ca 0.14 -0.65 0.04 0.00 -1.71 0.00 0.00 55.69 53.51 3jt2 s MET 109 Cb -0.10 -1.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.56 3jt2 s MET 109 CO 0.06 0.30 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.78 3jt2 s PHE 110 N -0.56 3.00 0.05 -0.03 -0.12 -0.66 -1.64 117.98 118.01 3jt2 s PHE 110 Ca 0.05 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 56.65 3jt2 s PHE 110 Cb -0.07 -1.57 0.09 0.00 -0.63 0.00 0.00 43.02 40.85 3jt2 s PHE 110 CO 0.00 0.47 0.83 -0.59 -0.05 0.00 0.00 175.22 175.88 3jt2 s PHE 111 N -1.25 -0.37 0.09 3.49 -0.71 -0.16 -2.11 117.98 116.97 3jt2 s PHE 111 Ca 0.24 0.20 -0.15 0.00 -1.04 0.00 0.00 56.93 56.18 3jt2 s PHE 111 Cb -0.12 0.55 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 3jt2 s PHE 111 CO 0.16 -0.64 0.52 0.00 -1.34 0.00 0.00 175.22 173.92 3jt2 n THR 113 N 1.25 0.75 -1.81 0.00 -2.24 -1.26 -3.17 114.28 107.80 3jt2 n THR 113 Ca -0.08 -0.87 -0.41 0.00 -2.27 0.00 0.00 64.05 60.41 3jt2 n THR 113 Cb 0.52 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3jt2 n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3jt2 s PHE 114 N -1.21 2.57 -0.27 4.78 2.19 -1.26 -4.30 117.98 120.48 3jt2 s PHE 114 Ca 0.41 1.20 -0.41 0.00 0.33 0.00 0.00 56.93 58.46 3jt2 s PHE 114 Cb 0.22 -3.99 -0.16 0.00 -1.31 0.00 0.00 43.02 37.78 3jt2 s PHE 114 CO 0.30 -2.94 1.67 -2.30 1.83 0.00 0.00 175.22 173.78 3jt2 n PRO 115 N 0.30 0.96 -1.04 10.12 -0.02 -1.26 -0.71 135.00 143.35 3jt2 n PRO 115 Ca 0.02 0.35 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 3jt2 n PRO 115 Cb 0.40 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3jt2 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jt2 n GLY 116 N 3.94 0.48 0.07 -1.23 0.00 -1.26 -4.94 105.19 102.25 3jt2 n GLY 116 Ca 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3jt2 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3jt2 n HIS 117 N -2.80 0.33 0.31 1.61 8.25 0.12 -4.51 115.22 118.52 3jt2 n HIS 117 Ca -0.01 0.11 0.17 0.00 -0.26 0.00 0.00 57.72 57.72 3jt2 n HIS 117 Cb 0.12 -0.83 0.98 0.00 1.12 0.00 0.00 29.99 31.39 3jt2 n HIS 117 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3jt2 h SER 118 N 0.00 0.00 0.61 0.41 4.64 -1.73 0.36 113.55 117.84 3jt2 h SER 118 Ca -0.19 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.93 3jt2 h SER 118 Cb 1.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 3jt2 h SER 118 CO 0.02 0.01 -0.88 0.00 -0.87 0.00 0.00 176.83 175.11 3jt2 h ALA 119 N 1.99 0.52 0.01 5.18 0.00 -1.90 -3.35 119.26 121.71 3jt2 h ALA 119 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 3jt2 h ALA 119 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3jt2 h ALA 119 CO 0.00 0.93 -0.71 -0.07 0.00 0.00 0.00 179.25 179.40 3jt2 h LEU 120 N 0.10 0.03 -7.96 0.00 -0.00 -1.67 -3.43 115.31 102.38 3jt2 h LEU 120 Ca -0.04 -0.75 -0.72 0.00 -0.00 0.00 0.00 57.88 56.37 3jt2 h LEU 120 Cb 1.51 -0.01 -0.20 0.00 -0.00 0.00 0.00 40.66 41.96 3jt2 h LEU 120 CO 0.13 1.28 0.58 -0.76 -0.00 0.00 0.00 178.44 179.68 3jt2 s LEU 121 N -8.00 5.52 0.29 1.67 1.02 0.05 -4.78 118.68 114.44 3jt2 s LEU 121 Ca -0.24 -2.15 -0.19 0.00 0.02 0.00 0.00 54.13 51.56 3jt2 s LEU 121 Cb 0.02 -2.34 0.06 0.00 0.02 0.00 0.00 46.19 43.94 3jt2 s LEU 121 CO 0.65 -0.94 0.88 -1.59 0.02 0.00 0.00 176.35 175.36 3jt2 s LYS 122 N 2.04 1.78 0.00 1.70 -2.85 -1.26 -1.85 119.74 119.30 3jt2 s LYS 122 Ca 0.27 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 3jt2 s LYS 122 Cb -0.08 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3jt2 s LYS 122 CO -0.08 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 174.95 3jt2 n GLY 123 N -0.57 0.29 3.84 0.59 0.00 -0.90 -4.65 105.19 103.80 3jt2 n GLY 123 Ca -0.06 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3jt2 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jt2 s THR 124 N -2.00 4.88 -0.09 2.61 2.01 0.41 -1.64 115.64 121.82 3jt2 s THR 124 Ca 0.00 0.81 0.02 0.00 0.31 0.00 0.00 61.69 62.83 3jt2 s THR 124 Cb 0.00 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.79 3jt2 s THR 124 CO 0.00 0.27 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.83 3jt2 s LEU 125 N -1.89 1.72 0.05 4.42 0.20 0.03 0.24 118.68 123.45 3jt2 s LEU 125 Ca 0.37 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.84 3jt2 s LEU 125 Cb -0.15 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.56 3jt2 s LEU 125 CO 0.19 0.04 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.27 3jt2 s THR 126 N 0.80 0.97 -0.31 3.68 2.01 0.35 -3.07 115.64 120.06 3jt2 s THR 126 Ca -0.11 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.56 3jt2 s THR 126 Cb -0.16 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 3jt2 s THR 126 CO 0.02 -0.18 0.59 -0.22 -0.69 0.00 0.00 174.62 174.14 3jt2 s LEU 127 N -1.48 4.16 0.00 4.42 1.98 -1.26 -0.70 118.68 125.80 3jt2 s LEU 127 Ca -0.03 0.36 0.03 0.00 -2.89 0.00 0.00 54.13 51.61 3jt2 s LEU 127 Cb -0.09 -2.76 0.02 0.00 0.66 0.00 0.00 46.19 44.03 3jt2 s LEU 127 CO 0.02 -0.45 0.59 1.17 -1.89 0.00 0.00 176.35 175.78