#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 4.58 -0.67 0.00 4.04 -1.26 -3.72 118.70 121.66 3jt2 s GLU 2 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 54.97 56.36 3jt2 s GLU 2 Cb 0.00 -3.43 0.00 0.00 0.02 0.00 0.00 34.13 30.72 3jt2 s GLU 2 CO 0.00 0.05 0.00 0.00 -1.84 0.00 0.00 175.26 173.47 3jt2 s SER 4 N -2.40 -0.09 -0.13 0.00 1.04 -1.24 -1.71 113.70 109.17 3jt2 s SER 4 Ca 0.00 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.34 3jt2 s SER 4 Cb 0.00 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3jt2 s SER 4 CO 0.00 -1.16 0.46 0.54 0.98 0.00 0.00 173.24 174.05 3jt2 s VAL 5 N -3.98 0.01 -0.26 5.02 0.11 -0.28 -4.73 120.40 116.29 3jt2 s VAL 5 Ca 0.22 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 3jt2 s VAL 5 Cb -0.01 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 3jt2 s VAL 5 CO 0.09 -0.06 0.16 -1.81 -3.33 0.00 0.00 175.10 170.15 3jt2 s ASP 6 N -0.27 5.89 -0.03 3.54 1.11 -1.26 -0.17 116.67 125.47 3jt2 s ASP 6 Ca -0.04 -0.01 0.05 0.00 0.18 0.00 0.00 52.55 52.74 3jt2 s ASP 6 Cb -0.03 -2.08 -0.01 0.00 1.07 0.00 0.00 42.92 41.87 3jt2 s ASP 6 CO 0.03 -0.01 -0.20 -0.51 1.18 0.00 0.00 175.17 175.66 3jt2 s ILE 7 N 1.49 1.61 -0.06 0.77 2.07 0.15 -4.95 121.20 122.29 3jt2 s ILE 7 Ca 0.07 -0.84 0.06 0.00 -1.41 0.00 0.00 60.65 58.52 3jt2 s ILE 7 Cb -0.15 -1.36 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 3jt2 s ILE 7 CO 0.08 0.46 -0.23 -1.10 -1.91 0.00 0.00 174.94 172.23 3jt2 s GLN 8 N -0.23 2.53 -0.20 3.50 -0.21 -1.26 -1.73 119.66 122.05 3jt2 s GLN 8 Ca 0.02 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 3jt2 s GLN 8 Cb -0.10 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.70 3jt2 s GLN 8 CO 0.01 0.42 -0.05 0.20 -2.12 0.00 0.00 175.29 173.75 3jt2 s GLY 9 N -0.26 1.62 0.52 3.09 0.00 -1.08 -0.69 107.32 110.51 3jt2 s GLY 9 Ca -0.00 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.68 3jt2 s GLY 9 CO 0.03 0.29 0.34 0.54 0.00 0.00 0.00 173.10 174.29 3jt2 s ASN 10 N 1.19 4.58 0.00 1.64 4.22 -0.81 -3.64 114.94 122.13 3jt2 s ASN 10 Ca 0.02 -1.24 0.18 0.00 -2.14 0.00 0.00 52.86 49.68 3jt2 s ASN 10 Cb -0.14 0.27 0.93 0.00 1.28 0.00 0.00 41.25 43.58 3jt2 s ASN 10 CO -0.01 -0.99 1.53 0.47 -2.04 0.00 0.00 177.10 176.06 3jt2 n ASP 11 N -1.64 0.00 -1.30 3.54 9.92 -1.24 -2.38 116.55 123.44 3jt2 n ASP 11 Ca -0.03 -0.06 0.08 0.00 -0.53 0.00 0.00 54.79 54.26 3jt2 n ASP 11 Cb 0.64 -0.24 0.29 0.00 -0.64 0.00 0.00 41.12 41.17 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 -1.24 3.02 -2.84 -1.24 3.00 -1.26 -4.91 117.38 111.90 3jt2 n GLN 12 Ca 0.09 -2.33 -0.20 0.00 -0.01 0.00 0.00 57.00 54.55 3jt2 n GLN 12 Cb 0.13 -1.70 0.03 0.00 0.00 0.00 0.00 30.24 28.70 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 1.03 -3.94 -4.77 -1.09 2.81 -1.00 -4.99 117.12 105.17 3jt2 n MET 13 Ca 0.21 0.84 -0.26 0.00 -1.81 0.00 0.00 57.70 56.68 3jt2 n MET 13 Cb 0.69 -5.49 -0.16 0.00 -0.71 0.00 0.00 33.22 27.54 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 -5.47 1.91 0.17 0.03 1.11 -1.26 -4.43 119.66 111.71 3jt2 s GLN 14 Ca 0.23 -0.55 -0.28 0.00 0.01 0.00 0.00 55.36 54.77 3jt2 s GLN 14 Cb -0.10 -1.57 -0.08 0.00 -1.01 0.00 0.00 33.01 30.25 3jt2 s GLN 14 CO 0.28 0.13 0.86 -0.06 0.01 0.00 0.00 175.29 176.52 3jt2 s PHE 15 N 0.37 3.90 -2.00 0.91 0.08 -1.26 -1.92 117.98 118.06 3jt2 s PHE 15 Ca -0.11 1.75 0.03 0.00 0.12 0.00 0.00 56.93 58.72 3jt2 s PHE 15 Cb -0.14 -2.90 0.18 0.00 -0.57 0.00 0.00 43.02 39.59 3jt2 s PHE 15 CO 0.04 0.42 1.03 0.27 -0.10 0.00 0.00 175.22 176.87 3jt2 n ASN 16 N 1.89 0.00 -3.73 1.36 6.94 0.13 -4.69 115.26 117.16 3jt2 n ASN 16 Ca -0.03 -1.71 -0.14 0.00 -0.02 0.00 0.00 54.58 52.68 3jt2 n ASN 16 Cb 0.48 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 3jt2 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3jt2 s THR 17 N -2.00 0.04 -0.92 5.53 -1.32 -1.26 -4.98 115.64 110.73 3jt2 s THR 17 Ca 0.05 -0.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.30 3jt2 s THR 17 Cb 0.02 -0.64 0.04 0.00 -1.51 0.00 0.00 72.50 70.41 3jt2 s THR 17 CO 0.03 -0.17 0.68 -0.46 -2.21 0.00 0.00 174.62 172.49 3jt2 n ASN 18 N 1.64 1.43 -3.76 8.08 0.23 -1.26 -4.82 115.26 116.79 3jt2 n ASN 18 Ca -0.19 -1.21 -0.13 0.00 -0.53 0.00 0.00 54.58 52.51 3jt2 n ASN 18 Cb 0.56 0.21 -0.14 0.00 -2.08 0.00 0.00 39.78 38.34 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 -0.92 -0.32 -0.10 -2.53 0.00 -1.26 -0.08 121.76 116.55 3jt2 s ALA 19 Ca 0.08 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.72 3jt2 s ALA 19 Cb 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3jt2 s ALA 19 CO 0.15 -0.14 -0.19 0.42 0.00 0.00 0.00 175.76 176.00 3jt2 s ILE 20 N 0.89 1.74 -0.22 0.00 1.01 0.33 -4.91 121.20 120.04 3jt2 s ILE 20 Ca -0.07 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 3jt2 s ILE 20 Cb -0.09 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3jt2 s ILE 20 CO -0.05 0.49 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 3jt2 s THR 21 N 0.62 4.33 -0.37 2.92 2.01 -1.26 -0.82 115.64 123.07 3jt2 s THR 21 Ca -0.14 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 3jt2 s THR 21 Cb -0.16 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.38 3jt2 s THR 21 CO 0.04 0.40 0.21 -0.69 -0.69 0.00 0.00 174.62 173.88 3jt2 s VAL 22 N 1.11 4.66 0.23 3.82 1.01 0.82 -4.95 120.40 127.09 3jt2 s VAL 22 Ca 0.04 -0.75 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 3jt2 s VAL 22 Cb -0.14 -3.56 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3jt2 s VAL 22 CO 0.03 -0.19 1.69 -0.67 0.00 0.00 0.00 175.10 175.96 3jt2 n ASP 23 N 5.01 3.91 0.30 3.32 -0.08 -1.26 -0.57 116.55 127.18 3jt2 n ASP 23 Ca -0.12 1.08 0.19 0.00 -1.51 0.00 0.00 54.79 54.43 3jt2 n ASP 23 Cb 0.47 -1.57 0.98 0.00 2.34 0.00 0.00 41.12 43.34 3jt2 n ASP 23 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3jt2 h LYS 24 N 6.26 0.00 0.00 -0.67 3.64 0.17 0.15 116.57 126.12 3jt2 h LYS 24 Ca -0.44 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 3jt2 h LYS 24 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3jt2 h LYS 24 CO 0.92 0.00 -0.27 1.03 -2.27 0.00 0.00 179.45 178.86 3jt2 h SER 25 N 0.00 0.00 -3.39 4.20 0.87 -1.88 -3.46 113.55 109.89 3jt2 h SER 25 Ca 0.02 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.05 3jt2 h SER 25 Cb 0.33 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.38 3jt2 h SER 25 CO -0.00 0.27 0.86 0.00 -0.53 0.00 0.00 176.83 177.43 3jt2 h LYS 27 N 4.71 0.28 -5.91 0.00 1.57 -1.89 -3.41 116.57 111.93 3jt2 h LYS 27 Ca -0.47 -0.49 -0.52 0.00 -1.87 0.00 0.00 60.65 57.30 3jt2 h LYS 27 Cb 1.22 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 33.55 3jt2 h LYS 27 CO 0.78 1.18 -0.76 -0.65 -0.57 0.00 0.00 179.45 179.42 3jt2 s GLN 28 N -2.58 1.40 -0.04 3.15 1.11 -1.26 -1.99 119.66 119.46 3jt2 s GLN 28 Ca -0.17 -1.56 0.01 0.00 0.01 0.00 0.00 55.36 53.65 3jt2 s GLN 28 Cb 0.06 -1.39 0.02 0.00 -1.01 0.00 0.00 33.01 30.69 3jt2 s GLN 28 CO 0.81 0.26 -0.05 0.12 0.01 0.00 0.00 175.29 176.45 3jt2 s PHE 29 N -2.46 0.71 -0.12 0.91 5.36 0.25 -4.81 117.98 117.82 3jt2 s PHE 29 Ca 0.22 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 3jt2 s PHE 29 Cb -0.04 -0.61 0.01 0.00 -0.34 0.00 0.00 43.02 42.04 3jt2 s PHE 29 CO 0.09 -0.16 -0.21 0.99 -1.46 0.00 0.00 175.22 174.47 3jt2 s THR 30 N 0.76 1.90 -0.21 0.12 2.01 -0.69 -0.58 115.64 118.95 3jt2 s THR 30 Ca -0.10 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 3jt2 s THR 30 Cb -0.13 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 3jt2 s THR 30 CO 0.00 0.52 0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 3jt2 s VAL 31 N 0.72 3.97 -0.39 3.82 1.01 -0.64 -1.12 120.40 127.76 3jt2 s VAL 31 Ca -0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3jt2 s VAL 31 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3jt2 s VAL 31 CO 0.01 0.42 0.25 0.20 0.00 0.00 0.00 175.10 175.97 3jt2 s ASN 32 N 1.10 5.84 -0.19 3.32 0.01 0.76 -1.81 114.94 123.97 3jt2 s ASN 32 Ca 0.03 -1.06 -0.08 0.00 -0.71 0.00 0.00 52.86 51.04 3jt2 s ASN 32 Cb -0.14 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 3jt2 s ASN 32 CO 0.02 -0.44 0.07 -0.22 -1.51 0.00 0.00 177.10 175.01 3jt2 s LEU 33 N 1.57 3.82 0.30 0.60 2.96 0.23 0.31 118.68 128.47 3jt2 s LEU 33 Ca 0.03 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 3jt2 s LEU 33 Cb -0.20 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 3jt2 s LEU 33 CO 0.07 0.17 0.03 -0.94 -1.32 0.00 0.00 176.35 174.36 3jt2 s SER 34 N 0.41 2.34 -0.35 3.68 1.04 -0.71 0.10 113.70 120.21 3jt2 s SER 34 Ca 0.03 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.14 3jt2 s SER 34 Cb -0.12 -0.08 0.14 0.00 0.10 0.00 0.00 66.02 66.06 3jt2 s SER 34 CO 0.00 -0.55 0.25 -2.28 0.98 0.00 0.00 173.24 171.64 3jt2 s HIS 35 N -3.28 0.37 0.47 5.02 2.46 -0.89 -2.65 115.29 116.80 3jt2 s HIS 35 Ca 0.34 -1.31 -0.23 0.00 0.47 0.00 0.00 55.06 54.34 3jt2 s HIS 35 Cb 0.08 -0.76 -0.07 0.00 -0.13 0.00 0.00 32.58 31.70 3jt2 s HIS 35 CO 0.14 -0.87 1.19 -1.25 -2.47 0.00 0.00 174.74 171.48 3jt2 s PRO 36 N 1.28 3.68 0.00 2.88 0.04 -1.24 -0.75 135.00 140.89 3jt2 s PRO 36 Ca 0.17 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3jt2 s PRO 36 Cb -0.20 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3jt2 s PRO 36 CO -0.04 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.78 3jt2 n GLY 37 N 0.47 0.98 0.00 0.56 0.00 -1.26 -3.68 105.19 102.26 3jt2 n GLY 37 Ca 0.08 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 2.85 3.38 -4.82 1.61 5.03 -1.26 -4.47 115.26 117.58 3jt2 n ASN 38 Ca 0.00 -0.12 -0.36 0.00 0.87 0.00 0.00 54.58 54.97 3jt2 n ASN 38 Cb 0.00 0.92 -0.06 0.00 -1.02 0.00 0.00 39.78 39.62 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 -2.51 4.35 0.40 3.41 1.43 -1.26 -4.91 118.68 119.58 3jt2 s LEU 39 Ca 0.00 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.26 3jt2 s LEU 39 Cb 0.00 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 3jt2 s LEU 39 CO 0.00 0.05 0.95 -2.16 0.23 0.00 0.00 176.35 175.42 3jt2 s PRO 40 N -1.94 4.34 0.45 1.29 0.04 -1.26 -2.43 135.00 135.49 3jt2 s PRO 40 Ca 0.42 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.87 3jt2 s PRO 40 Cb -0.17 -2.38 1.14 0.00 0.04 0.00 0.00 34.50 33.13 3jt2 s PRO 40 CO 0.21 0.06 1.59 -0.22 0.04 0.00 0.00 177.00 178.68 3jt2 h LYS 41 N 2.32 0.00 0.00 4.56 3.64 -1.83 -0.70 116.57 124.56 3jt2 h LYS 41 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3jt2 h LYS 41 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3jt2 h LYS 41 CO 0.62 0.00 -0.17 0.27 -2.27 0.00 0.00 179.45 177.90 3jt2 n ASN 42 N -2.39 0.37 0.00 4.20 6.94 -1.26 -0.95 115.26 122.16 3jt2 n ASN 42 Ca -0.01 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.87 3jt2 n ASN 42 Cb 0.29 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.75 0.00 -2.62 3.53 3.14 -0.35 -4.81 118.33 115.47 3jt2 n VAL 43 Ca 0.06 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.46 3jt2 n VAL 43 Cb 0.37 0.19 0.03 0.00 -1.06 0.00 0.00 33.84 33.37 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 -1.60 0.69 -1.99 1.45 0.00 -0.74 -5.04 117.12 109.89 3jt2 n MET 44 Ca 0.00 -2.55 -0.36 0.00 -0.00 0.00 0.00 57.70 54.79 3jt2 n MET 44 Cb 0.10 -0.60 0.04 0.00 0.00 0.00 0.00 33.22 32.76 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 -2.66 2.76 0.00 -5.12 0.00 -0.12 -4.67 107.32 97.51 3jt2 s GLY 45 Ca 0.30 1.04 0.02 0.00 0.00 0.00 0.00 44.72 46.09 3jt2 s GLY 45 CO -0.12 1.45 -0.06 0.30 0.00 0.00 0.00 173.10 174.67 3jt2 s HIS 46 N -1.56 0.56 0.05 1.90 3.76 0.12 -4.67 115.29 115.45 3jt2 s HIS 46 Ca 0.77 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3jt2 s HIS 46 Cb -0.31 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 3jt2 s HIS 46 CO 0.34 -0.02 -0.00 -1.54 -0.85 0.00 0.00 174.74 172.67 3jt2 s SER 47 N -0.35 0.40 -0.37 1.40 1.04 -1.26 -0.69 113.70 113.87 3jt2 s SER 47 Ca 0.01 -0.87 -0.06 0.00 0.48 0.00 0.00 55.95 55.51 3jt2 s SER 47 Cb -0.03 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.35 3jt2 s SER 47 CO -0.00 -0.57 0.15 0.86 0.98 0.00 0.00 173.24 174.66 3jt2 s TRP 48 N -3.52 3.35 -0.13 5.02 -0.00 -1.26 -3.14 118.94 119.26 3jt2 s TRP 48 Ca 0.03 -1.74 -0.00 0.00 -0.00 0.00 0.00 56.10 54.39 3jt2 s TRP 48 Cb 0.05 -2.62 -0.01 0.00 -0.00 0.00 0.00 33.47 30.88 3jt2 s TRP 48 CO -0.09 -0.83 -0.13 0.08 -0.00 0.00 0.00 176.95 175.99 3jt2 s VAL 49 N 1.33 3.03 -0.20 5.86 1.01 0.18 -0.71 120.40 130.90 3jt2 s VAL 49 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3jt2 s VAL 49 Cb -0.21 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3jt2 s VAL 49 CO 0.00 0.53 0.00 -0.22 0.00 0.00 0.00 175.10 175.41 3jt2 s LEU 50 N 0.34 3.30 0.31 3.92 2.96 0.98 -1.32 118.68 129.18 3jt2 s LEU 50 Ca -0.11 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3jt2 s LEU 50 Cb -0.16 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3jt2 s LEU 50 CO 0.06 0.08 0.50 -0.94 -1.32 0.00 0.00 176.35 174.73 3jt2 s SER 51 N 0.92 0.47 0.56 3.68 1.04 -1.03 -0.26 113.70 119.08 3jt2 s SER 51 Ca 0.01 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 54.98 3jt2 s SER 51 Cb -0.14 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 3jt2 s SER 51 CO 0.02 -1.28 1.12 0.42 0.98 0.00 0.00 173.24 174.49 3jt2 s THR 52 N -3.29 3.22 0.30 2.02 -4.23 -1.26 -0.72 115.64 111.68 3jt2 s THR 52 Ca 0.26 0.72 0.04 0.00 -1.18 0.00 0.00 61.69 61.53 3jt2 s THR 52 Cb -0.01 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.86 3jt2 s THR 52 CO 0.15 -0.20 1.84 0.00 -0.54 0.00 0.00 174.62 175.87 3jt2 h ALA 53 N 1.02 1.61 -0.92 3.99 0.00 -1.72 -1.70 119.26 121.54 3jt2 h ALA 53 Ca -0.49 0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.58 3jt2 h ALA 53 Cb 1.26 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3jt2 h ALA 53 CO 0.57 0.12 0.59 0.00 0.00 0.00 0.00 179.25 180.52 3jt2 h ALA 54 N 1.57 1.75 -0.03 0.00 0.00 -1.91 -2.89 119.26 117.75 3jt2 h ALA 54 Ca 0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3jt2 h ALA 54 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3jt2 h ALA 54 CO -0.27 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 3jt2 n ASP 55 N -4.58 2.71 -0.08 0.00 8.00 -0.67 -4.59 116.55 117.34 3jt2 n ASP 55 Ca 0.18 -1.85 -0.07 0.00 0.71 0.00 0.00 54.79 53.76 3jt2 n ASP 55 Cb 0.44 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 4.01 -0.10 -0.29 -1.24 1.85 -1.26 -2.23 114.93 115.67 3jt2 h MET 56 Ca 0.00 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 3jt2 h MET 56 Cb 0.85 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.86 3jt2 h MET 56 CO 0.00 -0.07 -0.01 0.37 -0.40 0.00 0.00 176.91 176.80 3jt2 h GLN 57 N -0.11 0.07 -0.06 0.39 5.75 -1.81 0.26 115.11 119.61 3jt2 h GLN 57 Ca 0.16 -0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.49 3jt2 h GLN 57 Cb 0.35 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3jt2 h GLN 57 CO -0.37 0.05 -0.67 0.78 -2.65 0.00 0.00 178.83 175.97 3jt2 h GLY 58 N 0.07 0.27 0.99 2.39 0.00 -1.86 0.76 103.07 105.69 3jt2 h GLY 58 Ca 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3jt2 h GLY 58 CO -0.25 0.32 0.25 -2.08 0.00 0.00 0.00 176.54 174.78 3jt2 h VAL 59 N 0.17 1.12 0.72 4.60 2.07 -0.75 0.52 116.25 124.70 3jt2 h VAL 59 Ca -0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3jt2 h VAL 59 Cb 1.20 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3jt2 h VAL 59 CO 0.10 0.12 -0.35 0.58 0.02 0.00 0.00 177.57 178.05 3jt2 h VAL 60 N 0.53 0.17 -0.91 2.57 2.07 -0.13 0.66 116.25 121.21 3jt2 h VAL 60 Ca 0.14 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.61 3jt2 h VAL 60 Cb -0.02 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 29.87 3jt2 h VAL 60 CO -0.03 0.02 0.52 0.74 0.02 0.00 0.00 177.57 178.84 3jt2 h THR 61 N -1.13 0.79 -0.41 2.57 2.02 0.57 -0.81 112.91 116.51 3jt2 h THR 61 Ca -0.10 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 3jt2 h THR 61 Cb 0.77 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3jt2 h THR 61 CO 0.16 0.14 -0.34 0.44 0.37 0.00 0.00 175.52 176.29 3jt2 h ASP 62 N 0.76 0.99 -0.11 4.18 5.19 0.11 -3.19 116.42 124.35 3jt2 h ASP 62 Ca 0.49 -0.43 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 3jt2 h ASP 62 Cb 0.63 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3jt2 h ASP 62 CO -0.33 1.23 0.02 1.23 -3.12 0.00 0.00 179.24 178.27 3jt2 h GLY 63 N 0.82 0.12 2.00 2.75 0.00 0.48 -2.52 103.07 106.71 3jt2 h GLY 63 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3jt2 h GLY 63 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3jt2 h MET 64 N 0.07 0.00 -0.48 4.80 -0.00 -1.26 0.65 114.93 118.70 3jt2 h MET 64 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 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 -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.84 3jt2 n ALA 65 N -2.04 2.64 0.20 -3.00 0.00 -0.96 -3.97 120.51 113.38 3jt2 n ALA 65 Ca -0.00 -0.71 0.11 0.00 0.00 0.00 0.00 53.44 52.83 3jt2 n ALA 65 Cb 0.23 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 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 0.49 0.26 0.00 0.00 7.64 0.23 -5.09 113.62 117.14 3jt2 n SER 66 Ca 0.12 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3jt2 n SER 66 Cb 0.41 1.66 0.00 0.00 -1.01 0.00 0.00 64.21 65.27 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 1.30 -2.14 0.35 0.23 0.00 -1.24 -3.82 105.19 99.87 3jt2 n GLY 67 Ca -0.02 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.00 -1.12 0.99 5.85 -1.94 -1.28 115.31 117.82 3jt2 h LEU 68 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 3jt2 h LEU 68 Cb 0.00 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 3jt2 h LEU 68 CO 0.00 0.00 0.61 -2.24 -0.34 0.00 0.00 178.44 176.47 3jt2 h ASP 69 N 0.00 0.75 -0.19 1.25 2.03 -2.02 -2.52 116.42 115.73 3jt2 h ASP 69 Ca 0.14 0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 56.43 3jt2 h ASP 69 Cb 0.66 -0.07 -0.05 0.00 -0.83 0.00 0.00 39.33 39.04 3jt2 h ASP 69 CO -0.00 0.32 -0.20 0.29 -1.03 0.00 0.00 179.24 178.62 3jt2 n LYS 70 N -4.67 1.80 -1.67 4.15 4.76 -0.57 -4.94 118.16 117.03 3jt2 n LYS 70 Ca 0.21 -3.11 -0.19 0.00 -2.87 0.00 0.00 58.31 52.34 3jt2 n LYS 70 Cb 0.53 -1.72 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.10 -5.14 -3.62 4.39 9.92 -0.95 -1.86 116.55 118.19 3jt2 n ASP 71 Ca 0.25 0.42 -0.23 0.00 -0.53 0.00 0.00 54.79 54.70 3jt2 n ASP 71 Cb 0.86 -4.54 0.07 0.00 -0.64 0.00 0.00 41.12 36.88 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 -2.49 -2.57 -3.71 1.24 4.01 -0.71 -4.73 117.16 108.20 3jt2 n TYR 72 Ca -0.20 0.97 -0.16 0.00 -0.16 0.00 0.00 57.90 58.35 3jt2 n TYR 72 Cb 0.64 -4.84 -0.16 0.00 -0.31 0.00 0.00 39.34 34.67 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 -7.05 0.40 0.10 7.72 2.01 -0.78 -4.33 118.68 116.75 3jt2 s LEU 73 Ca 0.42 0.21 -0.31 0.00 0.01 0.00 0.00 54.13 54.46 3jt2 s LEU 73 Cb -0.19 0.13 -0.09 0.00 0.01 0.00 0.00 46.19 46.05 3jt2 s LEU 73 CO 0.75 -0.20 1.71 -0.75 1.01 0.00 0.00 176.35 178.87 3jt2 s LYS 74 N 1.74 4.18 0.17 1.70 2.20 -1.26 -4.86 119.74 123.61 3jt2 s LYS 74 Ca -0.02 2.43 -0.33 0.00 -0.36 0.00 0.00 55.97 57.69 3jt2 s LYS 74 Cb -0.12 -3.56 -0.13 0.00 -1.51 0.00 0.00 37.83 32.51 3jt2 s LYS 74 CO -0.05 -0.76 1.61 -2.30 -0.36 0.00 0.00 175.35 173.49 3jt2 n PRO 75 N 5.49 2.28 -3.64 4.03 -0.02 -1.26 -2.09 135.00 139.78 3jt2 n PRO 75 Ca 0.16 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.23 3jt2 n PRO 75 Cb 0.39 -2.61 0.07 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.53 -4.88 -4.64 2.55 8.00 -1.26 -4.89 116.55 114.95 3jt2 n ASP 76 Ca 0.17 -0.63 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 3jt2 n ASP 76 Cb 0.30 -4.73 -0.03 0.00 -0.02 0.00 0.00 41.12 36.64 3jt2 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3jt2 s ASP 77 N -3.58 6.45 0.00 -2.24 -1.08 -0.89 -4.85 116.67 110.47 3jt2 s ASP 77 Ca 0.45 1.87 0.29 0.00 -0.52 0.00 0.00 52.55 54.65 3jt2 s ASP 77 Cb -0.21 -2.53 1.58 0.00 -1.46 0.00 0.00 42.92 40.30 3jt2 s ASP 77 CO 0.76 -1.16 2.05 -1.54 0.52 0.00 0.00 175.17 175.80 3jt2 n SER 78 N 8.09 0.00 0.13 -0.34 3.41 -1.26 -2.40 113.62 121.25 3jt2 n SER 78 Ca 0.19 -0.42 0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3jt2 n SER 78 Cb 0.44 -0.18 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 3jt2 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3jt2 h ARG 79 N 0.00 0.00 -5.86 4.33 3.08 -1.98 -3.45 114.38 110.51 3jt2 h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3jt2 h ARG 79 Cb 0.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 3jt2 h ARG 79 CO 0.00 0.00 0.52 0.08 -1.07 0.00 0.00 179.97 179.50 3jt2 s VAL 80 N -3.28 4.78 -0.28 2.04 1.01 -1.01 -4.41 120.40 119.25 3jt2 s VAL 80 Ca 0.03 1.52 0.22 0.00 0.00 0.00 0.00 61.98 63.75 3jt2 s VAL 80 Cb 0.09 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.39 3jt2 s VAL 80 CO 0.74 -0.17 1.21 0.16 0.00 0.00 0.00 175.10 177.04 3jt2 h ILE 81 N 5.51 0.08 -1.97 2.22 -0.00 -0.94 -3.48 117.51 118.92 3jt2 h ILE 81 Ca -0.23 -1.13 0.12 0.00 -0.00 0.00 0.00 64.86 63.62 3jt2 h ILE 81 Cb 1.09 1.73 -0.18 0.00 -0.00 0.00 0.00 36.82 39.46 3jt2 h ILE 81 CO 0.90 0.04 0.55 0.00 -0.00 0.00 0.00 178.15 179.64 3jt2 s ALA 82 N -3.27 -1.89 -0.07 0.16 0.00 -1.18 -4.97 121.76 110.54 3jt2 s ALA 82 Ca 0.02 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3jt2 s ALA 82 Cb 0.08 0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.33 3jt2 s ALA 82 CO 0.75 -0.57 0.80 -3.38 0.00 0.00 0.00 175.76 173.36 3jt2 s HIS 83 N -2.47 -0.53 0.43 0.00 -3.43 -1.26 -0.01 115.29 108.02 3jt2 s HIS 83 Ca 0.04 0.84 0.05 0.00 -0.80 0.00 0.00 55.06 55.19 3jt2 s HIS 83 Cb -0.01 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.59 3jt2 s HIS 83 CO -0.05 -0.53 0.60 0.95 -2.00 0.00 0.00 174.74 173.71 3jt2 s THR 84 N -1.46 3.38 0.90 -5.38 -4.23 0.12 -4.79 115.64 104.18 3jt2 s THR 84 Ca -0.06 -0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 59.48 3jt2 s THR 84 Cb -0.00 -3.19 0.13 0.00 1.34 0.00 0.00 72.50 70.79 3jt2 s THR 84 CO 0.04 -0.09 1.13 -0.54 -0.54 0.00 0.00 174.62 174.62 3jt2 s LYS 85 N -4.42 1.20 -0.04 3.99 1.02 -1.26 -4.49 119.74 115.73 3jt2 s LYS 85 Ca 0.52 0.37 -0.28 0.00 0.02 0.00 0.00 55.97 56.60 3jt2 s LYS 85 Cb -0.10 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3jt2 s LYS 85 CO 0.34 -2.18 0.88 -1.17 -0.92 0.00 0.00 175.35 172.31 3jt2 s LEU 86 N -6.05 4.33 0.28 3.17 2.96 -1.26 -4.49 118.68 117.62 3jt2 s LEU 86 Ca 0.63 1.47 0.07 0.00 -0.22 0.00 0.00 54.13 56.09 3jt2 s LEU 86 Cb -0.15 -3.39 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 3jt2 s LEU 86 CO 0.54 -0.24 -0.08 0.27 -1.32 0.00 0.00 176.35 175.52 3jt2 s ILE 87 N 1.10 1.79 0.53 6.68 -4.36 0.13 -4.91 121.20 122.17 3jt2 s ILE 87 Ca 0.46 -2.16 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 3jt2 s ILE 87 Cb -0.19 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.11 3jt2 s ILE 87 CO 0.23 -0.31 0.26 0.61 0.24 0.00 0.00 174.94 175.96 3jt2 n GLY 88 N -0.60 3.05 3.68 6.27 0.00 -1.26 -0.70 105.19 115.62 3jt2 n GLY 88 Ca -0.06 -2.33 -0.39 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.64 1.90 0.00 1.61 3.41 -1.02 -1.71 113.62 116.17 3jt2 n SER 89 Ca -0.09 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 3jt2 n SER 89 Cb 0.63 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 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 0.98 1.26 3.93 5.00 0.00 0.07 -4.98 105.19 111.45 3jt2 n GLY 90 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 2.63 -0.01 1.61 2.02 -0.70 -4.94 118.70 119.25 3jt2 s GLU 91 Ca 0.00 -1.44 -0.19 0.00 0.02 0.00 0.00 54.97 53.35 3jt2 s GLU 91 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.75 3jt2 s GLU 91 CO 0.00 -0.25 0.42 -1.59 0.02 0.00 0.00 175.26 173.87 3jt2 s LYS 92 N -4.23 0.82 -0.13 1.61 -2.85 -1.26 -2.09 119.74 111.61 3jt2 s LYS 92 Ca 0.51 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 3jt2 s LYS 92 Cb -0.06 0.37 0.08 0.00 -2.06 0.00 0.00 37.83 36.17 3jt2 s LYS 92 CO 0.30 -0.25 0.76 0.34 0.10 0.00 0.00 175.35 176.60 3jt2 s ASP 93 N -1.46 -0.63 0.22 0.03 2.15 0.11 -5.00 116.67 112.11 3jt2 s ASP 93 Ca -0.11 0.85 0.11 0.00 0.43 0.00 0.00 52.55 53.83 3jt2 s ASP 93 Cb -0.03 0.74 -0.05 0.00 -0.30 0.00 0.00 42.92 43.29 3jt2 s ASP 93 CO 0.04 -0.46 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.95 3jt2 s SER 94 N -0.73 3.69 -0.05 -0.34 0.01 -1.26 0.75 113.70 115.77 3jt2 s SER 94 Ca -0.06 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.29 3jt2 s SER 94 Cb -0.02 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.84 3jt2 s SER 94 CO 0.06 0.08 0.14 0.54 0.41 0.00 0.00 173.24 174.47 3jt2 s VAL 95 N -1.99 -0.00 -0.01 3.43 0.11 -0.75 -4.85 120.40 116.33 3jt2 s VAL 95 Ca 0.25 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 3jt2 s VAL 95 Cb -0.07 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 3jt2 s VAL 95 CO 0.13 0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.92 3jt2 s THR 96 N 0.18 3.41 0.07 5.04 2.01 -1.26 -1.62 115.64 123.46 3jt2 s THR 96 Ca -0.01 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3jt2 s THR 96 Cb -0.02 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 3jt2 s THR 96 CO -0.00 0.46 0.07 0.72 -0.69 0.00 0.00 174.62 175.18 3jt2 s PHE 97 N -0.90 0.37 -0.20 4.92 -0.71 0.25 -4.93 117.98 116.78 3jt2 s PHE 97 Ca 0.15 -0.86 -0.29 0.00 -1.04 0.00 0.00 56.93 54.88 3jt2 s PHE 97 Cb -0.11 -0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.43 3jt2 s PHE 97 CO 0.05 -0.46 1.51 -0.51 -1.34 0.00 0.00 175.22 174.46 3jt2 s ASP 98 N -2.90 6.57 0.58 1.98 1.11 -1.26 0.87 116.67 123.62 3jt2 s ASP 98 Ca 0.07 1.64 0.29 0.00 0.18 0.00 0.00 52.55 54.73 3jt2 s ASP 98 Cb 0.07 -2.53 1.77 0.00 1.07 0.00 0.00 42.92 43.29 3jt2 s ASP 98 CO -0.10 -1.10 2.24 0.58 1.18 0.00 0.00 175.17 177.98 3jt2 h VAL 99 N 5.92 0.56 0.00 -1.27 2.07 -1.64 -0.64 116.25 121.26 3jt2 h VAL 99 Ca -0.32 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3jt2 h VAL 99 Cb 1.14 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3jt2 h VAL 99 CO 1.00 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 0.92 0.57 4.64 -1.87 0.23 113.55 118.04 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 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 -3.23 0.04 -3.69 4.77 5.02 -0.25 -4.70 118.16 116.12 3jt2 n LYS 101 Ca -0.03 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 3jt2 n LYS 101 Cb 0.08 -1.55 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.25 4.13 0.12 -0.35 1.43 0.81 -5.08 118.68 116.49 3jt2 s LEU 102 Ca 0.11 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 3jt2 s LEU 102 Cb 0.15 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 3jt2 s LEU 102 CO 0.47 0.10 0.64 -0.75 0.23 0.00 0.00 176.35 177.04 3jt2 s LYS 103 N 0.82 4.27 0.34 1.70 2.20 -1.26 -5.03 119.74 122.77 3jt2 s LYS 103 Ca 0.08 0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 56.24 3jt2 s LYS 103 Cb -0.13 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 32.94 3jt2 s LYS 103 CO 0.02 0.57 1.22 -2.00 -0.36 0.00 0.00 175.35 174.80 3jt2 s GLU 104 N -1.34 4.35 0.00 4.03 2.12 -1.26 -3.39 118.70 123.21 3jt2 s GLU 104 Ca 0.34 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.68 3jt2 s GLU 104 Cb -0.19 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3jt2 s GLU 104 CO 0.21 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 3jt2 n GLY 105 N 0.86 2.78 3.77 -1.50 0.00 -1.26 -5.00 105.19 104.85 3jt2 n GLY 105 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 4.33 0.02 1.61 2.56 -1.22 -5.01 118.70 120.92 3jt2 s GLU 106 Ca 0.00 1.57 -0.04 0.00 0.00 0.00 0.00 54.97 56.50 3jt2 s GLU 106 Cb 0.00 -2.74 -0.04 0.00 2.00 0.00 0.00 34.13 33.34 3jt2 s GLU 106 CO 0.00 -0.00 0.23 1.14 -0.56 0.00 0.00 175.26 176.06 3jt2 s GLN 107 N -2.16 3.49 0.12 4.30 -2.07 -1.26 -4.91 119.66 117.17 3jt2 s GLN 107 Ca 0.53 -0.25 0.09 0.00 -1.82 0.00 0.00 55.36 53.91 3jt2 s GLN 107 Cb -0.24 -3.06 -0.04 0.00 -1.09 0.00 0.00 33.01 28.58 3jt2 s GLN 107 CO 0.31 0.64 -0.21 0.71 -1.32 0.00 0.00 175.29 175.42 3jt2 s TYR 108 N -1.37 1.84 0.01 9.60 2.02 -1.24 -2.26 117.35 125.94 3jt2 s TYR 108 Ca 0.30 -0.43 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 3jt2 s TYR 108 Cb -0.13 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3jt2 s TYR 108 CO 0.20 0.25 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.64 3jt2 s MET 109 N -2.16 1.09 0.06 -0.62 -1.94 0.11 -2.58 119.30 113.26 3jt2 s MET 109 Ca 0.09 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.49 3jt2 s MET 109 Cb -0.09 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 3jt2 s MET 109 CO 0.05 0.28 0.05 -0.59 -0.01 0.00 0.00 175.02 174.80 3jt2 s PHE 110 N -0.54 3.13 -0.07 -0.03 -0.12 -0.83 -2.46 117.98 117.06 3jt2 s PHE 110 Ca 0.04 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.69 3jt2 s PHE 110 Cb -0.06 -1.61 0.11 0.00 -0.63 0.00 0.00 43.02 40.82 3jt2 s PHE 110 CO 0.00 0.50 0.95 -0.59 -0.05 0.00 0.00 175.22 176.04 3jt2 s PHE 111 N -1.31 -0.33 0.25 3.49 -0.71 -0.43 -1.85 117.98 117.09 3jt2 s PHE 111 Ca 0.26 0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 56.25 3jt2 s PHE 111 Cb -0.12 0.51 -0.09 0.00 -1.21 0.00 0.00 43.02 42.11 3jt2 s PHE 111 CO 0.19 -0.45 0.84 0.00 -1.34 0.00 0.00 175.22 174.45 3jt2 n THR 113 N 0.89 0.62 -1.72 0.00 -2.24 -1.26 -3.17 114.28 107.39 3jt2 n THR 113 Ca -0.01 -0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 60.56 3jt2 n THR 113 Cb 0.50 0.82 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 3jt2 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3jt2 n PHE 114 N 1.01 2.28 -1.72 4.78 -0.00 -1.26 -4.29 117.46 118.27 3jt2 n PHE 114 Ca 0.15 0.47 -0.59 0.00 -0.00 0.00 0.00 57.45 57.48 3jt2 n PHE 114 Cb 0.48 -2.39 -0.07 0.00 -0.00 0.00 0.00 39.48 37.49 3jt2 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3jt2 n PRO 115 N -0.17 1.05 -1.64 -7.13 -0.02 -1.26 -1.38 135.00 124.44 3jt2 n PRO 115 Ca 0.07 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 3jt2 n PRO 115 Cb 0.41 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.21 0.67 0.09 -1.23 0.00 -1.26 -4.94 105.19 102.73 3jt2 n GLY 116 Ca 0.27 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.22 0.08 0.26 1.61 8.25 -0.48 -4.56 115.22 117.15 3jt2 n HIS 117 Ca -0.11 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.49 3jt2 n HIS 117 Cb 0.43 -0.98 0.70 0.00 1.12 0.00 0.00 29.99 31.25 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 0.08 0.41 4.64 -1.75 0.44 113.55 117.38 3jt2 h SER 118 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 3jt2 h SER 118 Cb 2.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.23 3jt2 h SER 118 CO 0.03 0.11 -0.10 0.00 -0.87 0.00 0.00 176.83 176.00 3jt2 h ALA 119 N 1.89 1.76 0.00 5.18 0.00 -1.90 -3.27 119.26 122.92 3jt2 h ALA 119 Ca -0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.42 3jt2 h ALA 119 Cb 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3jt2 h ALA 119 CO 0.01 0.18 -2.34 1.28 0.00 0.00 0.00 179.25 178.38 3jt2 n LEU 120 N -4.39 2.50 -4.40 0.00 7.99 -0.77 -4.73 117.00 113.21 3jt2 n LEU 120 Ca -0.02 0.04 -0.44 0.00 -0.01 0.00 0.00 56.01 55.58 3jt2 n LEU 120 Cb 0.19 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 3jt2 n LEU 120 CO 0.36 0.74 1.31 0.18 -1.51 0.00 0.00 177.39 178.47 3jt2 n LEU 121 N -3.53 5.39 -3.98 2.23 4.32 0.08 -4.76 117.00 116.74 3jt2 n LEU 121 Ca -0.44 -4.60 -0.09 0.00 -0.02 0.00 0.00 56.01 50.86 3jt2 n LEU 121 Cb 0.90 -1.58 -0.05 0.00 -1.62 0.00 0.00 43.42 41.08 3jt2 n LEU 121 CO 0.15 0.91 0.22 -1.59 -1.22 0.00 0.00 177.39 175.86 3jt2 s LYS 122 N 0.84 1.60 0.00 3.23 -2.85 -1.25 -2.11 119.74 119.20 3jt2 s LYS 122 Ca 0.40 -1.24 -0.00 0.00 -1.00 0.00 0.00 55.97 54.13 3jt2 s LYS 122 Cb -0.03 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 3jt2 s LYS 122 CO -0.01 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.17 3jt2 n GLY 123 N -0.40 1.01 3.70 0.59 0.00 -0.77 -4.69 105.19 104.63 3jt2 n GLY 123 Ca -0.02 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.39 4.33 -0.08 2.61 2.01 0.89 -1.97 115.64 121.04 3jt2 s THR 124 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3jt2 s THR 124 Cb -0.00 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 3jt2 s THR 124 CO 0.00 0.45 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.94 3jt2 s LEU 125 N -1.36 2.00 -0.02 4.42 0.20 -1.07 0.12 118.68 122.98 3jt2 s LEU 125 Ca 0.18 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.46 3jt2 s LEU 125 Cb -0.12 -1.27 0.00 0.00 -0.43 0.00 0.00 46.19 44.38 3jt2 s LEU 125 CO 0.08 0.16 0.11 -0.89 -0.29 0.00 0.00 176.35 175.52 3jt2 s THR 126 N 0.24 0.04 -0.26 3.68 2.01 -0.00 -3.73 115.64 117.62 3jt2 s THR 126 Ca -0.13 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3jt2 s THR 126 Cb -0.16 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.08 3jt2 s THR 126 CO 0.06 -0.19 1.04 -0.22 -0.69 0.00 0.00 174.62 174.61 3jt2 s LEU 127 N -0.63 4.05 0.00 4.42 1.98 -1.26 -0.13 118.68 127.11 3jt2 s LEU 127 Ca -0.07 1.26 0.00 0.00 -2.89 0.00 0.00 54.13 52.43 3jt2 s LEU 127 Cb -0.04 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.29 3jt2 s LEU 127 CO 0.01 -0.72 0.42 1.17 -1.89 0.00 0.00 176.35 175.34