#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jac s LYS 2 N 0.00 4.11 0.39 1.61 2.20 0.17 -4.74 119.74 123.47 1jac s LYS 2 Ca 0.00 0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 55.88 1jac s LYS 2 Cb 0.00 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 1jac s LYS 2 CO 0.00 -0.40 1.14 0.00 -0.36 0.00 0.00 175.35 175.74 1jac s ALA 3 N 2.45 3.16 0.25 3.13 0.00 -1.26 -1.38 121.76 128.10 1jac s ALA 3 Ca 0.26 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1jac s ALA 3 Cb -0.16 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1jac s ALA 3 CO 0.09 -0.45 0.04 -0.59 0.00 0.00 0.00 175.76 174.84 1jac s PHE 4 N -1.44 1.57 -0.30 0.00 -0.12 0.11 -4.93 117.98 112.87 1jac s PHE 4 Ca 0.56 -1.02 -0.03 0.00 -0.05 0.00 0.00 56.93 56.40 1jac s PHE 4 Cb -0.29 -0.93 0.19 0.00 -0.63 0.00 0.00 43.02 41.36 1jac s PHE 4 CO 0.37 -0.14 0.81 0.34 -0.05 0.00 0.00 175.22 176.54 1jac s ASP 5 N -3.32 -1.04 0.14 1.98 2.15 -1.26 -1.51 116.67 113.81 1jac s ASP 5 Ca 0.32 0.26 -0.08 0.00 0.43 0.00 0.00 52.55 53.48 1jac s ASP 5 Cb 0.07 1.71 -0.06 0.00 -0.30 0.00 0.00 42.92 44.34 1jac s ASP 5 CO 0.11 -0.19 1.37 0.44 -0.17 0.00 0.00 175.17 176.73 1jac h ASP 6 N 7.76 0.77 0.00 -0.34 3.32 -1.10 -3.49 116.42 123.34 1jac h ASP 6 Ca -0.09 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1jac h ASP 6 Cb 1.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1jac h ASP 6 CO 0.05 1.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 1jac n GLY 7 N 0.60 -1.65 3.33 2.75 0.00 -1.24 -4.94 105.19 104.04 1jac n GLY 7 Ca -0.06 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1jac n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jac s ALA 8 N -2.00 2.43 0.00 4.61 0.00 -1.26 -3.56 121.76 121.97 1jac s ALA 8 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1jac s ALA 8 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1jac s ALA 8 CO 0.00 0.34 0.00 1.19 0.00 0.00 0.00 175.76 177.29 1jac n PHE 9 N 3.21 0.00 0.55 0.00 3.01 0.49 -5.00 117.46 119.72 1jac n PHE 9 Ca -0.18 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.40 1jac n PHE 9 Cb 0.53 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.16 1jac n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jac n THR 10 N 0.00 0.31 -1.12 4.37 -2.24 -0.31 -4.85 114.28 110.44 1jac n THR 10 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1jac n THR 10 Cb 0.00 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1jac n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jac n GLY 11 N 1.41 -2.36 3.11 3.38 0.00 -1.18 -4.93 105.19 104.61 1jac n GLY 11 Ca 0.17 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1jac n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jac s ILE 12 N -2.29 1.57 -0.18 -0.61 1.01 -1.26 -1.50 121.20 117.94 1jac s ILE 12 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1jac s ILE 12 Cb 0.00 -1.39 -0.15 0.00 0.01 0.00 0.00 42.46 40.93 1jac s ILE 12 CO 0.00 0.45 -0.08 0.54 0.00 0.00 0.00 174.94 175.85 1jac n ARG 13 N 3.71 0.92 -3.65 2.79 1.74 -1.03 -4.74 116.66 116.41 1jac n ARG 13 Ca -0.21 0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 56.82 1jac n ARG 13 Cb 0.52 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1jac n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1jac s GLU 14 N -2.38 0.74 -0.15 5.56 2.12 -1.03 -1.50 118.70 122.05 1jac s GLU 14 Ca -0.18 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1jac s GLU 14 Cb 0.06 0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 1jac s GLU 14 CO 0.52 -0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 175.39 1jac s ILE 15 N 0.87 2.68 -0.38 -3.70 1.01 0.11 -1.53 121.20 120.27 1jac s ILE 15 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1jac s ILE 15 Cb -0.05 -2.13 0.10 0.00 0.01 0.00 0.00 42.46 40.39 1jac s ILE 15 CO -0.07 0.51 0.14 0.20 0.00 0.00 0.00 174.94 175.73 1jac s ASN 16 N 0.79 5.10 0.33 3.58 0.01 -0.46 0.15 114.94 124.44 1jac s ASN 16 Ca -0.06 -1.96 0.03 0.00 -0.71 0.00 0.00 52.86 50.16 1jac s ASN 16 Cb -0.15 -1.77 0.03 0.00 0.41 0.00 0.00 41.25 39.77 1jac s ASN 16 CO 0.00 -0.47 0.27 0.00 -1.51 0.00 0.00 177.10 175.39 1jac n LEU 17 N 4.52 0.00 -3.64 0.60 -0.00 -0.23 -1.89 117.00 116.36 1jac n LEU 17 Ca -0.02 -1.67 -0.15 0.00 -0.00 0.00 0.00 56.01 54.17 1jac n LEU 17 Cb 0.42 -0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.71 1jac n LEU 17 CO 0.30 -0.47 0.26 -0.55 -0.00 0.00 0.00 177.39 176.93 1jac s SER 18 N -2.92 -0.51 0.25 1.45 0.15 -0.70 -0.88 113.70 110.53 1jac s SER 18 Ca 0.20 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.43 1jac s SER 18 Cb -0.02 0.72 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1jac s SER 18 CO 0.13 -0.41 0.49 -0.72 1.20 0.00 0.00 173.24 173.93 1jac s TYR 19 N -0.65 0.32 -0.01 3.44 1.13 -1.03 0.74 117.35 121.28 1jac s TYR 19 Ca -0.07 -0.69 0.04 0.00 -1.41 0.00 0.00 57.07 54.94 1jac s TYR 19 Cb -0.03 0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 41.05 1jac s TYR 19 CO 0.05 -1.01 -0.13 1.21 -2.51 0.00 0.00 175.55 173.17 1jac s ASN 20 N -3.01 1.50 0.43 -0.18 3.84 0.15 0.40 114.94 118.07 1jac s ASN 20 Ca 0.21 -0.23 0.23 0.00 0.21 0.00 0.00 52.86 53.28 1jac s ASN 20 Cb -0.01 -0.21 0.93 0.00 -0.55 0.00 0.00 41.25 41.40 1jac s ASN 20 CO 0.09 0.14 1.84 0.11 -2.79 0.00 0.00 177.10 176.49 1jac h LYS 21 N 5.92 0.00 0.00 0.43 6.56 -1.91 -2.67 116.57 124.90 1jac h LYS 21 Ca -0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1jac h LYS 21 Cb 1.17 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1jac h LYS 21 CO 0.49 0.26 -1.95 -1.91 -2.06 0.00 0.00 179.45 174.28 1jac n GLU 22 N -3.50 0.66 0.00 3.15 2.13 -1.26 -4.62 120.64 117.20 1jac n GLU 22 Ca -0.00 -0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1jac n GLU 22 Cb 0.42 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.59 1jac n GLU 22 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1jac n THR 23 N -2.30 0.00 -2.88 6.31 -2.24 -1.01 -5.04 114.28 107.11 1jac n THR 23 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1jac n THR 23 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1jac n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jac n ALA 24 N -3.00 0.00 -2.37 6.98 0.00 -1.21 -4.60 120.51 116.31 1jac n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1jac n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jac n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jac s ILE 25 N -2.48 4.71 0.00 0.00 1.01 -1.10 -0.68 121.20 122.67 1jac s ILE 25 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1jac s ILE 25 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1jac s ILE 25 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1jac n GLY 26 N 2.33 -0.09 3.81 6.18 0.00 0.23 -1.36 105.19 116.28 1jac n GLY 26 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jac n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jac s ASP 27 N -1.00 6.38 -0.08 1.61 1.11 -1.25 -4.16 116.67 119.29 1jac s ASP 27 Ca 0.00 1.79 -0.03 0.00 0.18 0.00 0.00 52.55 54.48 1jac s ASP 27 Cb 0.00 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.49 1jac s ASP 27 CO 0.00 -0.75 0.17 0.12 1.18 0.00 0.00 175.17 175.89 1jac s PHE 28 N -2.25 -0.21 -0.06 4.23 5.36 -0.86 -1.72 117.98 122.47 1jac s PHE 28 Ca 0.64 0.60 -0.17 0.00 -0.96 0.00 0.00 56.93 57.03 1jac s PHE 28 Cb -0.14 -0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1jac s PHE 28 CO 0.25 -0.22 0.40 -1.14 -1.46 0.00 0.00 175.22 173.05 1jac s GLN 29 N 1.53 0.68 -0.11 10.12 -0.44 -0.79 -1.32 119.66 129.33 1jac s GLN 29 Ca -0.06 0.09 -0.05 0.00 -2.50 0.00 0.00 55.36 52.84 1jac s GLN 29 Cb -0.12 0.31 0.05 0.00 -1.64 0.00 0.00 33.01 31.62 1jac s GLN 29 CO -0.07 -0.17 0.24 0.54 0.50 0.00 0.00 175.29 176.34 1jac s VAL 30 N -0.88 -0.11 -0.47 1.34 0.11 -1.26 -1.36 120.40 117.76 1jac s VAL 30 Ca -0.09 0.18 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 1jac s VAL 30 Cb -0.04 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1jac s VAL 30 CO 0.04 0.07 0.57 0.54 -3.33 0.00 0.00 175.10 173.00 1jac s VAL 31 N 1.49 4.93 0.87 2.04 0.11 -0.58 -0.74 120.40 128.52 1jac s VAL 31 Ca -0.07 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 58.48 1jac s VAL 31 Cb -0.11 -4.21 0.14 0.00 -1.53 0.00 0.00 36.38 30.67 1jac s VAL 31 CO -0.08 -0.66 1.23 -0.31 -3.33 0.00 0.00 175.10 171.94 1jac s TYR 32 N 2.50 2.20 -0.22 1.54 2.02 0.31 -2.45 117.35 123.25 1jac s TYR 32 Ca 0.15 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 57.26 1jac s TYR 32 Cb -0.18 -3.75 -0.01 0.00 -0.40 0.00 0.00 41.96 37.62 1jac s TYR 32 CO 0.13 -2.17 -0.03 0.34 -1.57 0.00 0.00 175.55 172.25 1jac s ASP 33 N -4.74 4.40 -0.43 2.29 2.15 -0.56 0.59 116.67 120.38 1jac s ASP 33 Ca 0.68 -0.35 -0.04 0.00 0.43 0.00 0.00 52.55 53.27 1jac s ASP 33 Cb -0.07 -1.76 0.11 0.00 -0.30 0.00 0.00 42.92 40.91 1jac s ASP 33 CO 0.50 -0.00 0.23 -0.22 -0.17 0.00 0.00 175.17 175.51 1jac s LEU 34 N 1.39 5.31 -1.58 -1.34 0.20 0.21 -1.17 118.68 121.70 1jac s LEU 34 Ca 0.05 -2.05 -0.11 0.00 0.69 0.00 0.00 54.13 52.70 1jac s LEU 34 Cb -0.14 -1.85 0.09 0.00 -0.43 0.00 0.00 46.19 43.86 1jac s LEU 34 CO -0.02 -0.56 0.65 0.59 -0.29 0.00 0.00 176.35 176.73 1jac n ASN 35 N 4.58 -2.26 0.00 3.68 5.03 -1.26 -1.78 115.26 123.26 1jac n ASN 35 Ca -0.02 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1jac n ASN 35 Cb 0.41 -2.93 0.00 0.00 -1.02 0.00 0.00 39.78 36.24 1jac n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jac n GLY 36 N -1.66 1.92 3.68 7.41 0.00 -1.26 -5.07 105.19 110.21 1jac n GLY 36 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1jac n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jac s SER 37 N -0.17 4.93 0.62 1.61 0.01 -0.73 -5.10 113.70 114.87 1jac s SER 37 Ca 0.00 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.82 1jac s SER 37 Cb 0.00 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 1jac s SER 37 CO 0.00 0.11 1.04 -2.16 0.41 0.00 0.00 173.24 172.65 1jac s PRO 38 N -2.76 3.30 -0.14 12.44 0.04 -1.26 0.64 135.00 147.27 1jac s PRO 38 Ca 0.27 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 1jac s PRO 38 Cb -0.10 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1jac s PRO 38 CO 0.19 -0.81 0.11 -0.47 0.04 0.00 0.00 177.00 176.06 1jac s TYR 39 N -2.75 0.08 -0.34 0.56 5.04 0.20 -4.67 117.35 115.47 1jac s TYR 39 Ca 0.60 -0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.88 1jac s TYR 39 Cb -0.14 -0.58 0.02 0.00 0.35 0.00 0.00 41.96 41.61 1jac s TYR 39 CO 0.44 -0.44 1.07 0.14 -1.34 0.00 0.00 175.55 175.42 1jac s VAL 40 N 2.18 4.49 0.75 3.14 -7.23 -1.26 0.11 120.40 122.58 1jac s VAL 40 Ca 0.03 1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 61.75 1jac s VAL 40 Cb -0.15 -4.43 0.04 0.00 0.56 0.00 0.00 36.38 32.41 1jac s VAL 40 CO -0.08 -0.53 1.08 -0.83 -0.31 0.00 0.00 175.10 174.43 1jac s GLY 41 N 1.74 1.65 0.57 2.32 0.00 0.08 -4.93 107.32 108.75 1jac s GLY 41 Ca 0.45 0.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.01 1jac s GLY 41 CO 0.17 0.40 1.27 1.62 0.00 0.00 0.00 173.10 176.56 1jac s GLN 42 N -5.03 3.03 -0.10 2.90 0.74 -1.26 -4.53 119.66 115.41 1jac s GLN 42 Ca 0.60 2.01 -0.25 0.00 0.05 0.00 0.00 55.36 57.77 1jac s GLN 42 Cb -0.15 -2.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.85 1jac s GLN 42 CO 0.55 -1.21 0.80 1.21 -0.55 0.00 0.00 175.29 176.10 1jac s ASN 43 N -1.30 7.04 -0.50 6.67 3.84 -1.26 -4.55 114.94 124.87 1jac s ASN 43 Ca 0.75 1.26 -0.12 0.00 0.21 0.00 0.00 52.86 54.96 1jac s ASN 43 Cb -0.35 -2.46 0.12 0.00 -0.55 0.00 0.00 41.25 38.01 1jac s ASN 43 CO 0.40 -0.26 0.41 -1.00 -2.79 0.00 0.00 177.10 173.85 1jac s HIS 44 N 1.42 3.34 0.55 0.43 3.76 -0.43 -5.02 115.29 119.34 1jac s HIS 44 Ca 0.40 -1.56 -0.13 0.00 -0.15 0.00 0.00 55.06 53.62 1jac s HIS 44 Cb -0.18 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 29.86 1jac s HIS 44 CO 0.17 -0.99 0.97 0.15 -0.85 0.00 0.00 174.74 174.20 1jac s LYS 45 N 1.48 3.74 0.46 1.40 3.01 -1.26 -2.03 119.74 126.54 1jac s LYS 45 Ca 0.04 0.76 -0.09 0.00 -1.01 0.00 0.00 55.97 55.67 1jac s LYS 45 Cb -0.28 -2.15 -0.05 0.00 -1.01 0.00 0.00 37.83 34.34 1jac s LYS 45 CO 0.01 -0.39 0.81 0.45 0.51 0.00 0.00 175.35 176.75 1jac s SER 46 N -3.69 6.42 0.12 2.83 0.15 -1.26 -4.80 113.70 113.47 1jac s SER 46 Ca 0.56 1.12 0.21 0.00 0.70 0.00 0.00 55.95 58.54 1jac s SER 46 Cb -0.10 -2.33 0.85 0.00 -1.71 0.00 0.00 66.02 62.73 1jac s SER 46 CO 0.43 -0.52 1.65 0.49 1.20 0.00 0.00 173.24 176.49 1jac n PHE 47 N -1.77 0.41 -4.54 3.44 3.72 -0.02 -4.81 117.46 113.89 1jac n PHE 47 Ca 0.02 0.15 -0.26 0.00 -0.05 0.00 0.00 57.45 57.31 1jac n PHE 47 Cb 0.54 -0.74 -0.09 0.00 -0.94 0.00 0.00 39.48 38.26 1jac n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jac s ILE 48 N -3.13 0.82 0.43 4.37 -4.36 -1.26 -5.04 121.20 113.03 1jac s ILE 48 Ca 0.07 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1jac s ILE 48 Cb 0.11 -2.41 0.02 0.00 1.25 0.00 0.00 42.46 41.43 1jac s ILE 48 CO 0.38 0.00 0.17 0.35 0.24 0.00 0.00 174.94 176.08 1jac n THR 49 N -0.93 0.00 -0.13 8.37 -2.24 -1.26 -4.89 114.28 113.20 1jac n THR 49 Ca -0.07 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 1jac n THR 49 Cb 0.66 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1jac n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jac n GLY 50 N -0.15 0.93 3.95 3.38 0.00 -1.26 -5.10 105.19 106.94 1jac n GLY 50 Ca -0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1jac n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jac s PHE 51 N -2.00 3.13 -0.29 1.61 0.08 -1.26 -4.81 117.98 114.44 1jac s PHE 51 Ca 0.00 0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 1jac s PHE 51 Cb 0.00 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1jac s PHE 51 CO 0.00 -0.61 0.02 0.99 -0.10 0.00 0.00 175.22 175.52 1jac s THR 52 N -2.72 3.37 0.51 0.64 2.01 0.16 -4.85 115.64 114.76 1jac s THR 52 Ca 0.52 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1jac s THR 52 Cb -0.10 -2.81 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1jac s THR 52 CO 0.40 0.02 1.18 -2.16 -0.69 0.00 0.00 174.62 173.36 1jac s PRO 53 N 1.37 3.50 -0.03 4.92 0.04 -1.26 -2.47 135.00 141.07 1jac s PRO 53 Ca -0.01 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1jac s PRO 53 Cb -0.18 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1jac s PRO 53 CO -0.00 -0.76 0.02 0.08 0.04 0.00 0.00 177.00 176.38 1jac s VAL 54 N -1.60 0.04 -0.17 -0.36 1.01 -0.06 -4.95 120.40 114.31 1jac s VAL 54 Ca 0.68 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1jac s VAL 54 Cb -0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1jac s VAL 54 CO 0.33 0.13 -0.02 -0.75 0.00 0.00 0.00 175.10 174.80 1jac s LYS 55 N 1.28 3.69 -0.49 2.72 2.20 -1.26 -1.07 119.74 126.81 1jac s LYS 55 Ca -0.06 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1jac s LYS 55 Cb -0.13 -2.98 0.13 0.00 -1.51 0.00 0.00 37.83 33.34 1jac s LYS 55 CO -0.03 0.19 0.28 0.42 -0.36 0.00 0.00 175.35 175.86 1jac s ILE 56 N 0.50 3.22 -0.39 5.43 1.01 0.12 -5.00 121.20 126.10 1jac s ILE 56 Ca -0.02 -2.60 -0.20 0.00 0.00 0.00 0.00 60.65 57.83 1jac s ILE 56 Cb -0.14 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.16 1jac s ILE 56 CO 0.02 -0.76 0.59 -0.44 0.00 0.00 0.00 174.94 174.35 1jac s SER 57 N 1.00 6.34 0.21 3.58 0.01 -1.26 -0.71 113.70 122.87 1jac s SER 57 Ca 0.13 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1jac s SER 57 Cb -0.22 -2.30 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 1jac s SER 57 CO -0.04 -0.62 0.56 -0.76 0.41 0.00 0.00 173.24 172.79 1jac s LEU 58 N 2.61 4.21 -1.33 2.44 1.02 -0.56 -4.99 118.68 122.08 1jac s LEU 58 Ca 0.21 1.00 -0.13 0.00 0.02 0.00 0.00 54.13 55.23 1jac s LEU 58 Cb -0.15 -3.58 0.11 0.00 0.02 0.00 0.00 46.19 42.59 1jac s LEU 58 CO 0.16 -0.03 1.90 -0.67 0.02 0.00 0.00 176.35 177.73 1jac n ASP 59 N 0.15 4.70 0.00 2.29 -0.08 -1.26 -4.80 116.55 117.54 1jac n ASP 59 Ca -0.01 -2.98 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 1jac n ASP 59 Cb 0.52 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.39 1jac n ASP 59 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1jac n PHE 60 N 5.47 0.00 0.33 -0.67 7.35 -1.26 -1.56 117.46 127.12 1jac n PHE 60 Ca 0.44 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.96 1jac n PHE 60 Cb 0.39 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.14 1jac n PHE 60 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1jac h PRO 61 N 0.00 -0.87 0.00 -7.13 0.11 -1.92 -3.30 132.00 118.89 1jac h PRO 61 Ca 0.00 0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 1jac h PRO 61 Cb 0.00 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1jac h PRO 61 CO 0.00 -0.58 -0.40 0.66 -0.21 0.00 0.00 178.00 177.47 1jac h SER 62 N -0.90 0.00 -3.33 -2.05 4.64 -1.97 -3.43 113.55 106.51 1jac h SER 62 Ca -0.07 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.61 1jac h SER 62 Cb 0.73 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.61 1jac h SER 62 CO 0.07 0.40 -0.67 -0.70 -0.87 0.00 0.00 176.83 175.06 1jac s GLU 63 N -4.06 3.57 0.06 4.77 2.12 -0.60 -4.96 118.70 119.59 1jac s GLU 63 Ca -0.02 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 1jac s GLU 63 Cb 0.14 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.67 1jac s GLU 63 CO 0.72 0.30 0.29 1.52 -0.54 0.00 0.00 175.26 177.56 1jac s TYR 64 N 0.20 -0.07 0.20 5.30 1.13 -1.26 -4.39 117.35 118.45 1jac s TYR 64 Ca -0.02 -0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.20 1jac s TYR 64 Cb -0.14 0.09 -0.10 0.00 -1.10 0.00 0.00 41.96 40.71 1jac s TYR 64 CO 0.03 -0.53 1.51 0.42 -2.51 0.00 0.00 175.55 174.47 1jac s ILE 65 N -2.89 2.65 -0.04 -3.49 1.01 -1.26 -1.80 121.20 115.38 1jac s ILE 65 Ca -0.03 0.50 0.08 0.00 0.00 0.00 0.00 60.65 61.20 1jac s ILE 65 Cb 0.00 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 1jac s ILE 65 CO -0.05 0.06 0.11 0.23 0.00 0.00 0.00 174.94 175.28 1jac n MET 66 N 3.28 1.39 -3.65 2.79 2.81 0.53 -4.81 117.12 119.46 1jac n MET 66 Ca 0.11 -0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 1jac n MET 66 Cb 0.39 -1.20 -0.08 0.00 -0.71 0.00 0.00 33.22 31.62 1jac n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1jac s GLU 67 N -2.41 0.80 -0.11 0.03 2.12 -0.71 -0.82 118.70 117.62 1jac s GLU 67 Ca -0.03 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.51 1jac s GLU 67 Cb 0.04 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.83 1jac s GLU 67 CO 0.34 -0.21 -0.03 0.08 -0.54 0.00 0.00 175.26 174.91 1jac s VAL 68 N -0.85 0.67 0.27 3.70 1.01 -0.74 -1.16 120.40 123.31 1jac s VAL 68 Ca -0.09 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1jac s VAL 68 Cb -0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1jac s VAL 68 CO 0.05 0.24 -0.03 -0.94 0.00 0.00 0.00 175.10 174.43 1jac s SER 69 N 1.85 2.47 0.00 3.32 1.04 -1.08 -0.43 113.70 120.87 1jac s SER 69 Ca 0.04 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1jac s SER 69 Cb -0.13 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1jac s SER 69 CO -0.07 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1jac n GLY 70 N -0.56 0.89 3.01 7.32 0.00 -0.62 -1.38 105.19 113.85 1jac n GLY 70 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1jac n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 71 N -2.82 -0.06 0.05 1.61 1.51 -0.75 -1.92 117.35 114.96 1jac s TYR 71 Ca 0.00 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.30 1jac s TYR 71 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.83 1jac s TYR 71 CO 0.00 -0.11 -0.25 0.95 -1.11 0.00 0.00 175.55 175.03 1jac s THR 72 N -0.34 2.03 0.20 -0.71 -4.23 -0.69 -1.05 115.64 110.85 1jac s THR 72 Ca -0.04 -1.36 -0.23 0.00 -1.18 0.00 0.00 61.69 58.88 1jac s THR 72 Cb -0.03 -1.74 0.05 0.00 1.34 0.00 0.00 72.50 72.12 1jac s THR 72 CO 0.00 0.32 0.77 -0.83 -0.54 0.00 0.00 174.62 174.33 1jac s GLY 73 N -1.26 -0.26 -0.20 3.99 0.00 -0.65 -0.48 107.32 108.47 1jac s GLY 73 Ca 0.11 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.70 1jac s GLY 73 CO 0.02 0.01 0.50 0.21 0.00 0.00 0.00 173.10 173.85 1jac s ASN 74 N -2.86 6.54 -0.13 1.64 3.04 -1.26 -0.08 114.94 121.84 1jac s ASN 74 Ca 0.09 0.65 -0.00 0.00 0.04 0.00 0.00 52.86 53.63 1jac s ASN 74 Cb -0.04 -2.28 0.03 0.00 -1.54 0.00 0.00 41.25 37.42 1jac s ASN 74 CO 0.01 -0.17 -0.10 0.68 -3.04 0.00 0.00 177.10 174.48 1jac s VAL 75 N 1.61 1.22 -1.43 -5.21 -7.23 0.48 -4.75 120.40 105.08 1jac s VAL 75 Ca 0.23 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.88 1jac s VAL 75 Cb -0.15 -1.21 0.05 0.00 0.56 0.00 0.00 36.38 35.63 1jac s VAL 75 CO 0.09 0.38 0.96 -1.20 -0.31 0.00 0.00 175.10 175.03 1jac n SER 76 N 4.88 -4.18 0.00 4.85 7.64 -1.26 -0.84 113.62 124.71 1jac n SER 76 Ca -0.14 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1jac n SER 76 Cb 0.50 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1jac n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jac n GLY 77 N -1.70 1.68 3.44 0.23 0.00 -1.26 -5.02 105.19 102.56 1jac n GLY 77 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1jac n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 78 N -3.56 2.86 -0.11 1.61 2.02 -0.02 -5.06 117.35 115.08 1jac s TYR 78 Ca 0.00 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1jac s TYR 78 Cb 0.00 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 1jac s TYR 78 CO 0.00 -0.05 1.04 0.54 -1.57 0.00 0.00 175.55 175.51 1jac s VAL 79 N 0.05 4.69 0.31 0.71 0.11 -1.26 -0.39 120.40 124.63 1jac s VAL 79 Ca -0.03 1.97 0.06 0.00 -2.93 0.00 0.00 61.98 61.04 1jac s VAL 79 Cb -0.14 -4.27 -0.03 0.00 -1.53 0.00 0.00 36.38 30.41 1jac s VAL 79 CO 0.04 -0.01 0.24 0.68 -3.33 0.00 0.00 175.10 172.72 1jac s VAL 80 N 2.13 0.06 -0.71 2.04 -7.23 0.89 -4.85 120.40 112.73 1jac s VAL 80 Ca 0.49 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 1jac s VAL 80 Cb -0.19 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.37 1jac s VAL 80 CO 0.18 0.00 0.89 -0.69 -0.31 0.00 0.00 175.10 175.16 1jac s VAL 81 N -3.55 4.73 0.02 1.32 1.01 -0.35 -1.63 120.40 121.95 1jac s VAL 81 Ca 0.39 -1.09 0.18 0.00 0.00 0.00 0.00 61.98 61.46 1jac s VAL 81 Cb 0.03 -4.61 0.12 0.00 0.00 0.00 0.00 36.38 31.92 1jac s VAL 81 CO 0.24 -1.30 1.63 0.03 0.00 0.00 0.00 175.10 175.69 1jac h ARG 82 N 9.09 0.00 -3.66 2.72 3.08 -1.39 -2.90 114.38 121.33 1jac h ARG 82 Ca -0.15 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1jac h ARG 82 Cb 1.06 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.93 1jac h ARG 82 CO 1.10 0.40 -0.46 0.45 -1.07 0.00 0.00 179.97 180.38 1jac s SER 83 N -6.39 0.09 -0.16 7.04 0.15 -1.00 -0.98 113.70 112.45 1jac s SER 83 Ca 0.02 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.11 1jac s SER 83 Cb 0.09 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1jac s SER 83 CO 0.70 -0.51 0.41 -0.22 1.20 0.00 0.00 173.24 174.83 1jac s LEU 84 N -1.99 0.42 -0.01 3.45 2.96 -0.67 -1.82 118.68 121.01 1jac s LEU 84 Ca -0.07 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1jac s LEU 84 Cb -0.02 1.42 0.00 0.00 0.50 0.00 0.00 46.19 48.08 1jac s LEU 84 CO -0.03 -0.14 0.08 0.28 -1.32 0.00 0.00 176.35 175.22 1jac s THR 85 N 0.23 0.05 -0.18 3.68 -1.32 -0.48 -1.00 115.64 116.62 1jac s THR 85 Ca -0.00 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1jac s THR 85 Cb -0.03 -0.26 0.04 0.00 -1.51 0.00 0.00 72.50 70.74 1jac s THR 85 CO 0.00 -0.23 -0.10 -0.36 -2.21 0.00 0.00 174.62 171.72 1jac s PHE 86 N -0.73 2.21 -0.22 9.09 0.40 -0.96 -2.63 117.98 125.14 1jac s PHE 86 Ca -0.08 -1.40 -0.10 0.00 -0.60 0.00 0.00 56.93 54.75 1jac s PHE 86 Cb -0.05 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1jac s PHE 86 CO 0.00 -0.70 0.13 0.21 0.70 0.00 0.00 175.22 175.57 1jac s LYS 87 N 1.47 4.08 0.39 0.44 2.47 -0.31 -0.48 119.74 127.79 1jac s LYS 87 Ca 0.01 -0.27 0.02 0.00 -1.56 0.00 0.00 55.97 54.16 1jac s LYS 87 Cb -0.15 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1jac s LYS 87 CO -0.09 0.16 0.16 0.25 0.16 0.00 0.00 175.35 175.99 1jac n THR 88 N 3.96 0.00 1.33 3.43 -2.24 0.86 -0.35 114.28 121.27 1jac n THR 88 Ca -0.16 -1.66 0.07 0.00 -2.27 0.00 0.00 64.05 60.04 1jac n THR 88 Cb 0.52 0.07 0.44 0.00 -2.10 0.00 0.00 70.33 69.27 1jac n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jac n ASN 89 N -1.59 0.00 0.06 3.42 6.94 -0.74 -3.99 115.26 119.36 1jac n ASN 89 Ca -0.08 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1jac n ASN 89 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1jac n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1jac n LYS 90 N -0.85 0.00 -4.36 -3.83 5.02 -1.26 -5.02 118.16 107.86 1jac n LYS 90 Ca 0.11 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 1jac n LYS 90 Cb 0.05 -0.26 -0.09 0.00 -0.02 0.00 0.00 35.03 34.71 1jac n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jac s LYS 91 N -2.00 2.09 -0.29 1.97 1.02 -1.26 -5.10 119.74 116.17 1jac s LYS 91 Ca 0.00 -1.92 0.02 0.00 0.02 0.00 0.00 55.97 54.09 1jac s LYS 91 Cb 0.00 -1.84 0.08 0.00 -0.52 0.00 0.00 37.83 35.55 1jac s LYS 91 CO 0.00 -0.03 -0.00 0.99 -0.92 0.00 0.00 175.35 175.39 1jac s THR 92 N -2.62 1.83 -1.24 2.17 2.01 -1.26 -0.10 115.64 116.42 1jac s THR 92 Ca 0.37 -1.74 -0.19 0.00 0.31 0.00 0.00 61.69 60.44 1jac s THR 92 Cb 0.05 -2.20 0.07 0.00 0.01 0.00 0.00 72.50 70.43 1jac s THR 92 CO 0.20 -0.36 1.68 -0.31 -0.69 0.00 0.00 174.62 175.14 1jac s TYR 93 N 1.19 2.74 0.06 4.92 1.51 0.37 -4.94 117.35 123.20 1jac s TYR 93 Ca 0.02 -1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 54.59 1jac s TYR 93 Cb -0.19 -4.74 -0.01 0.00 -0.11 0.00 0.00 41.96 36.91 1jac s TYR 93 CO -0.09 -1.83 -0.06 0.41 -1.11 0.00 0.00 175.55 172.87 1jac n GLY 94 N 5.68 -0.26 3.68 0.71 0.00 -1.26 -2.25 105.19 111.48 1jac n GLY 94 Ca 0.46 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1jac n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jac n PRO 95 N 0.15 2.82 -4.60 1.61 -0.04 -1.26 -4.61 135.00 129.07 1jac n PRO 95 Ca -0.00 1.03 -0.33 0.00 -0.04 0.00 0.00 63.50 64.16 1jac n PRO 95 Cb 0.04 -2.95 -0.13 0.00 -0.04 0.00 0.00 33.50 30.41 1jac n PRO 95 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jac s TYR 96 N 3.56 2.92 0.00 0.54 2.02 -0.17 -4.97 117.35 121.25 1jac s TYR 96 Ca 0.85 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 1jac s TYR 96 Cb -0.46 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1jac s TYR 96 CO 0.40 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.77 1jac n GLY 97 N 3.22 -1.63 3.68 0.71 0.00 -1.26 -1.67 105.19 108.24 1jac n GLY 97 Ca -0.18 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 1jac n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jac s VAL 98 N 0.00 5.21 -1.31 1.61 1.01 -0.16 -4.91 120.40 121.86 1jac s VAL 98 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1jac s VAL 98 Cb 0.00 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.79 1jac s VAL 98 CO 0.00 0.28 2.13 0.35 0.00 0.00 0.00 175.10 177.86 1jac n THR 99 N 4.18 4.72 -3.97 3.92 -2.24 -1.26 -3.79 114.28 115.84 1jac n THR 99 Ca -0.09 -4.30 -0.09 0.00 -2.27 0.00 0.00 64.05 57.31 1jac n THR 99 Cb 0.51 -2.25 -0.11 0.00 -2.10 0.00 0.00 70.33 66.38 1jac n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jac s SER 100 N 0.70 0.23 0.00 3.42 0.01 -1.26 -5.10 113.70 111.69 1jac s SER 100 Ca 0.47 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1jac s SER 100 Cb 0.14 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1jac s SER 100 CO -0.04 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1jac n GLY 101 N 1.61 0.27 3.63 3.44 0.00 -1.26 -4.47 105.19 108.42 1jac n GLY 101 Ca -0.24 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 1jac n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jac s THR 102 N 0.00 4.51 0.64 2.61 -4.23 0.36 -4.89 115.64 114.64 1jac s THR 102 Ca 0.00 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.25 1jac s THR 102 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1jac s THR 102 CO 0.00 0.52 1.04 -2.16 -0.54 0.00 0.00 174.62 173.48 1jac s PRO 103 N -0.05 3.38 -0.01 3.99 0.04 -1.26 -1.71 135.00 139.37 1jac s PRO 103 Ca 0.05 0.84 -0.13 0.00 0.04 0.00 0.00 61.00 61.79 1jac s PRO 103 Cb -0.12 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jac s PRO 103 CO 0.02 -0.74 0.28 -0.59 0.04 0.00 0.00 177.00 176.00 1jac s PHE 104 N -3.09 -0.15 -0.16 0.56 -0.12 -0.81 -4.95 117.98 109.27 1jac s PHE 104 Ca 0.56 0.22 -0.18 0.00 -0.05 0.00 0.00 56.93 57.49 1jac s PHE 104 Cb -0.12 0.07 0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1jac s PHE 104 CO 0.53 -0.37 0.49 0.54 -0.05 0.00 0.00 175.22 176.36 1jac s ASN 105 N -1.28 -0.49 -0.36 1.98 4.22 -1.26 -1.59 114.94 116.15 1jac s ASN 105 Ca -0.13 0.87 0.02 0.00 -2.14 0.00 0.00 52.86 51.48 1jac s ASN 105 Cb -0.05 0.90 0.11 0.00 1.28 0.00 0.00 41.25 43.48 1jac s ASN 105 CO 0.04 -0.23 0.12 -0.22 -2.04 0.00 0.00 177.10 174.76 1jac s LEU 106 N -0.02 3.34 0.19 3.54 2.96 0.43 -4.99 118.68 124.13 1jac s LEU 106 Ca -0.02 -2.10 -0.10 0.00 -0.22 0.00 0.00 54.13 51.68 1jac s LEU 106 Cb -0.03 -1.22 -0.07 0.00 0.50 0.00 0.00 46.19 45.37 1jac s LEU 106 CO 0.02 -0.36 0.52 -2.84 -1.32 0.00 0.00 176.35 172.36 1jac s PRO 107 N 0.99 3.81 -0.19 0.98 0.02 -1.26 -1.78 135.00 137.57 1jac s PRO 107 Ca 0.12 0.27 0.01 0.00 0.02 0.00 0.00 61.00 61.42 1jac s PRO 107 Cb -0.20 -2.75 0.03 0.00 0.02 0.00 0.00 34.50 31.60 1jac s PRO 107 CO -0.13 0.38 -0.16 0.42 -0.33 0.00 0.00 177.00 177.18 1jac s ILE 108 N -1.70 1.92 -0.01 2.83 1.01 0.00 -4.99 121.20 120.27 1jac s ILE 108 Ca 0.44 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 1jac s ILE 108 Cb -0.12 -1.83 -0.31 0.00 0.01 0.00 0.00 42.46 40.21 1jac s ILE 108 CO 0.21 0.39 0.98 -0.33 0.00 0.00 0.00 174.94 176.19 1jac h GLU 109 N 7.94 0.42 -2.70 2.79 5.08 -1.98 -3.46 114.58 122.68 1jac h GLU 109 Ca -0.38 -0.64 -0.14 0.00 -1.00 0.00 0.00 59.36 57.20 1jac h GLU 109 Cb 1.12 0.23 -0.28 0.00 0.50 0.00 0.00 28.75 30.31 1jac h GLU 109 CO 0.57 1.29 -0.38 1.21 -1.00 0.00 0.00 179.01 180.69 1jac s ASN 110 N -7.14 -0.26 0.00 1.42 2.47 -1.26 -5.13 114.94 105.03 1jac s ASN 110 Ca -0.12 0.82 0.00 0.00 0.42 0.00 0.00 52.86 53.98 1jac s ASN 110 Cb 0.03 0.87 0.00 0.00 -1.45 0.00 0.00 41.25 40.70 1jac s ASN 110 CO 0.87 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.65 1jac n GLY 111 N 4.76 1.18 3.17 1.21 0.00 -1.26 -5.01 105.19 109.23 1jac n GLY 111 Ca -0.17 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1jac n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jac s LEU 112 N 0.00 1.19 -0.27 0.99 1.02 0.16 -4.95 118.68 116.83 1jac s LEU 112 Ca 0.00 -0.02 -0.20 0.00 0.02 0.00 0.00 54.13 53.93 1jac s LEU 112 Cb 0.00 0.96 -0.02 0.00 0.02 0.00 0.00 46.19 47.15 1jac s LEU 112 CO 0.00 -0.38 0.61 -0.63 0.02 0.00 0.00 176.35 175.97 1jac s ILE 113 N -1.24 4.99 -0.01 -0.59 1.01 -1.26 -0.92 121.20 123.18 1jac s ILE 113 Ca -0.13 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1jac s ILE 113 Cb -0.06 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1jac s ILE 113 CO 0.03 0.00 1.01 1.33 0.00 0.00 0.00 174.94 177.31 1jac n VAL 114 N 5.23 1.04 0.00 2.92 0.24 -0.26 -4.47 118.33 123.03 1jac n VAL 114 Ca -0.01 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 1jac n VAL 114 Cb 0.49 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1jac n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jac n GLY 115 N -0.55 0.64 3.16 7.63 0.00 -1.25 -0.38 105.19 114.45 1jac n GLY 115 Ca 0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 1jac n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jac s PHE 116 N -2.00 1.01 0.10 1.61 0.08 -1.23 -1.92 117.98 115.63 1jac s PHE 116 Ca 0.00 -0.64 -0.14 0.00 0.12 0.00 0.00 56.93 56.27 1jac s PHE 116 Cb 0.00 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 1jac s PHE 116 CO 0.00 -0.02 0.33 -1.59 -0.10 0.00 0.00 175.22 173.84 1jac s LYS 117 N -2.65 0.97 0.00 0.44 -2.85 -1.08 -0.37 119.74 114.21 1jac s LYS 117 Ca 0.03 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1jac s LYS 117 Cb -0.04 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1jac s LYS 117 CO -0.00 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1jac n GLY 118 N -0.07 -0.68 3.43 0.59 0.00 -0.57 -1.17 105.19 106.73 1jac n GLY 118 Ca -0.16 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 1jac n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jac s SER 119 N -4.00 -0.52 -0.03 1.61 0.15 -0.87 0.04 113.70 110.08 1jac s SER 119 Ca 0.00 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1jac s SER 119 Cb 0.00 0.79 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1jac s SER 119 CO 0.00 -0.37 0.01 -0.63 1.20 0.00 0.00 173.24 173.45 1jac s ILE 120 N -0.48 0.12 0.00 6.45 1.01 -0.48 -0.87 121.20 126.95 1jac s ILE 120 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1jac s ILE 120 Cb -0.03 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1jac s ILE 120 CO 0.04 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1jac n GLY 121 N 4.25 1.51 0.15 6.18 0.00 -1.26 0.41 105.19 116.43 1jac n GLY 121 Ca -0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1jac n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jac h TYR 122 N 0.00 0.33 -4.36 1.61 -1.99 -1.95 -0.01 116.97 110.60 1jac h TYR 122 Ca 0.00 -0.15 -0.20 0.00 2.00 0.00 0.00 58.73 60.38 1jac h TYR 122 Cb 0.00 -0.05 -0.13 0.00 2.00 0.00 0.00 36.73 38.55 1jac h TYR 122 CO 0.00 0.90 -0.49 -1.58 -0.00 0.00 0.00 178.16 176.99 1jac s TRP 123 N -3.49 0.97 0.01 4.88 0.51 -1.26 -4.47 118.94 116.09 1jac s TRP 123 Ca -0.04 -1.22 -0.30 0.00 -2.12 0.00 0.00 56.10 52.42 1jac s TRP 123 Cb 0.11 -0.37 -0.08 0.00 -0.81 0.00 0.00 33.47 32.32 1jac s TRP 123 CO 0.82 -0.74 1.87 -1.17 -0.51 0.00 0.00 176.95 177.22 1jac s LEU 124 N -3.13 4.40 -0.04 2.99 2.96 -0.47 -4.50 118.68 120.90 1jac s LEU 124 Ca 0.35 2.54 -0.22 0.00 -0.22 0.00 0.00 54.13 56.59 1jac s LEU 124 Cb 0.05 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 42.90 1jac s LEU 124 CO 0.12 -1.02 0.92 0.44 -1.32 0.00 0.00 176.35 175.49 1jac h ASP 125 N 10.25 0.48 -4.97 3.68 3.32 -1.33 -0.91 116.42 126.95 1jac h ASP 125 Ca -0.46 -0.94 0.11 0.00 0.02 0.00 0.00 57.03 55.76 1jac h ASP 125 Cb 1.22 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 1jac h ASP 125 CO 0.94 1.38 0.43 -0.72 -1.72 0.00 0.00 179.24 179.56 1jac s TYR 126 N -2.50 -0.28 0.03 4.55 -0.85 -1.25 -4.25 117.35 112.80 1jac s TYR 126 Ca -0.13 0.05 -0.20 0.00 -0.52 0.00 0.00 57.07 56.26 1jac s TYR 126 Cb 0.01 0.59 0.04 0.00 0.38 0.00 0.00 41.96 42.99 1jac s TYR 126 CO 0.83 -0.74 0.46 -0.59 -1.52 0.00 0.00 175.55 173.99 1jac s PHE 127 N -3.33 -0.34 0.17 -3.49 -0.71 -1.26 -2.05 117.98 106.98 1jac s PHE 127 Ca 0.08 0.39 0.03 0.00 -1.04 0.00 0.00 56.93 56.39 1jac s PHE 127 Cb -0.02 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1jac s PHE 127 CO -0.04 -0.58 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.10 1jac s SER 128 N -1.84 1.54 0.06 1.98 0.01 -0.32 -4.97 113.70 110.16 1jac s SER 128 Ca -0.07 -1.12 0.04 0.00 1.31 0.00 0.00 55.95 56.12 1jac s SER 128 Cb -0.01 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1jac s SER 128 CO -0.00 -0.47 -0.12 -0.04 0.41 0.00 0.00 173.24 173.01 1jac s MET 129 N -3.84 0.73 -0.10 12.44 -1.94 -1.26 -2.62 119.30 122.71 1jac s MET 129 Ca 0.22 -0.89 -0.15 0.00 -1.71 0.00 0.00 55.69 53.16 1jac s MET 129 Cb 0.05 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 36.17 1jac s MET 129 CO 0.03 0.15 0.39 0.71 -0.01 0.00 0.00 175.02 176.28 1jac s TYR 130 N -1.28 3.56 -0.10 -0.03 1.51 -0.81 -5.00 117.35 115.20 1jac s TYR 130 Ca -0.04 0.81 0.04 0.00 -1.01 0.00 0.00 57.07 56.87 1jac s TYR 130 Cb -0.10 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1jac s TYR 130 CO 0.02 0.35 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.06 1jac s LEU 131 N 0.02 2.09 0.00 -1.29 1.02 -1.26 -1.10 118.68 118.16 1jac s LEU 131 Ca 0.22 -0.56 0.05 0.00 0.02 0.00 0.00 54.13 53.86 1jac s LEU 131 Cb -0.15 -1.40 -0.02 0.00 0.02 0.00 0.00 46.19 44.64 1jac s LEU 131 CO 0.09 0.15 0.17 -0.24 0.02 0.00 0.00 176.35 176.54 1jac n SER 132 N 3.57 0.61 -0.54 2.29 2.88 -0.10 -4.91 113.62 117.43 1jac n SER 132 Ca -0.19 -3.00 0.07 0.00 -1.33 0.00 0.00 58.87 54.41 1jac n SER 132 Cb 0.53 1.14 0.06 0.00 -0.75 0.00 0.00 64.21 65.18 1jac n SER 132 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70