#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 4.35 0.44 1.61 2.20 0.60 -4.71 119.74 124.23 1jac s LYS 2 Ca 0.00 1.30 -0.22 0.00 -0.36 0.00 0.00 55.97 56.68 1jac s LYS 2 Cb 0.00 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 1jac s LYS 2 CO 0.00 -0.41 1.04 0.00 -0.36 0.00 0.00 175.35 175.62 1jac s ALA 3 N 2.39 2.99 0.06 3.13 0.00 -1.26 -1.75 121.76 127.32 1jac s ALA 3 Ca 0.45 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1jac s ALA 3 Cb -0.17 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1jac s ALA 3 CO 0.13 -0.26 -0.04 -0.59 0.00 0.00 0.00 175.76 175.00 1jac s PHE 4 N -1.81 0.62 -0.26 0.00 -0.71 0.02 -4.96 117.98 110.87 1jac s PHE 4 Ca 0.62 -0.95 -0.03 0.00 -1.04 0.00 0.00 56.93 55.53 1jac s PHE 4 Cb -0.19 -0.41 0.15 0.00 -1.21 0.00 0.00 43.02 41.35 1jac s PHE 4 CO 0.24 -0.28 0.46 0.34 -1.34 0.00 0.00 175.22 174.64 1jac s ASP 5 N -2.78 -0.39 0.05 1.98 -1.08 -1.26 -1.88 116.67 111.31 1jac s ASP 5 Ca 0.06 0.57 -0.02 0.00 -0.52 0.00 0.00 52.55 52.64 1jac s ASP 5 Cb 0.05 1.53 -0.27 0.00 -1.46 0.00 0.00 42.92 42.77 1jac s ASP 5 CO -0.07 -0.28 1.02 0.44 0.52 0.00 0.00 175.17 176.80 1jac h ASP 6 N 8.12 0.34 0.00 -0.34 3.32 -1.36 -3.49 116.42 123.00 1jac h ASP 6 Ca -0.20 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1jac h ASP 6 Cb 1.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1jac h ASP 6 CO 0.25 1.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.71 1jac n GLY 7 N 1.57 -1.74 3.56 2.75 0.00 -1.23 -4.93 105.19 105.17 1jac n GLY 7 Ca -0.11 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.79 3.02 0.00 4.61 0.00 -1.26 -3.72 121.76 122.61 1jac s ALA 8 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1jac s ALA 8 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1jac s ALA 8 CO 0.00 0.44 0.00 1.19 0.00 0.00 0.00 175.76 177.39 1jac n PHE 9 N 2.69 0.00 0.04 0.00 3.01 -0.47 -5.01 117.46 117.73 1jac n PHE 9 Ca -0.18 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.38 1jac n PHE 9 Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 1jac n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jac n THR 10 N 0.00 0.41 -3.35 4.37 -1.04 0.36 -4.89 114.28 110.14 1jac n THR 10 Ca 0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1jac n THR 10 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1jac n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jac n GLY 11 N 1.25 -1.33 3.20 3.41 0.00 -1.14 -4.92 105.19 105.66 1jac n GLY 11 Ca -0.03 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.97 1.47 -0.02 -0.61 1.01 -1.26 -1.25 121.20 117.57 1jac s ILE 12 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1jac s ILE 12 Cb 0.00 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1jac s ILE 12 CO 0.00 0.29 -0.00 0.54 0.00 0.00 0.00 174.94 175.77 1jac n ARG 13 N 2.28 2.81 -3.69 2.79 1.74 -0.59 -4.72 116.66 117.28 1jac n ARG 13 Ca -0.16 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1jac n ARG 13 Cb 0.54 -1.05 -0.09 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.04 0.61 -0.07 5.56 2.12 -0.99 -1.29 118.70 122.59 1jac s GLU 14 Ca -0.01 0.78 0.05 0.00 0.36 0.00 0.00 54.97 56.15 1jac s GLU 14 Cb 0.01 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 1jac s GLU 14 CO 0.07 -0.09 -0.24 0.42 -0.54 0.00 0.00 175.26 174.88 1jac s ILE 15 N 0.48 2.08 -0.28 -3.70 1.01 -0.09 -0.88 121.20 119.81 1jac s ILE 15 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1jac s ILE 15 Cb -0.04 -1.76 0.08 0.00 0.01 0.00 0.00 42.46 40.75 1jac s ILE 15 CO -0.02 0.57 0.03 0.20 0.00 0.00 0.00 174.94 175.71 1jac s ASN 16 N 0.03 4.11 0.48 3.58 0.01 0.55 0.60 114.94 124.30 1jac s ASN 16 Ca -0.09 -1.57 0.03 0.00 -0.71 0.00 0.00 52.86 50.52 1jac s ASN 16 Cb -0.15 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 1jac s ASN 16 CO 0.06 -0.33 0.01 -1.48 -1.51 0.00 0.00 177.10 173.84 1jac s LEU 17 N 1.36 2.46 0.04 0.60 0.05 -0.50 -1.04 118.68 121.66 1jac s LEU 17 Ca 0.04 -1.57 0.01 0.00 0.05 0.00 0.00 54.13 52.66 1jac s LEU 17 Cb -0.18 -0.77 -0.03 0.00 -2.05 0.00 0.00 46.19 43.15 1jac s LEU 17 CO -0.13 -0.73 -0.05 -0.55 -0.55 0.00 0.00 176.35 174.34 1jac s SER 18 N -3.82 0.60 0.24 1.48 0.15 -0.57 0.68 113.70 112.45 1jac s SER 18 Ca 0.15 -0.69 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 1jac s SER 18 Cb 0.04 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1jac s SER 18 CO 0.08 -0.36 0.49 -0.72 1.20 0.00 0.00 173.24 173.92 1jac s TYR 19 N -2.28 0.31 -0.02 3.44 1.13 -0.56 -0.86 117.35 118.52 1jac s TYR 19 Ca -0.05 -0.67 0.03 0.00 -1.41 0.00 0.00 57.07 54.96 1jac s TYR 19 Cb -0.04 0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1jac s TYR 19 CO -0.03 -0.99 -0.09 1.21 -2.51 0.00 0.00 175.55 173.14 1jac s ASN 20 N -3.00 1.15 0.03 -0.18 3.84 -0.93 0.86 114.94 116.70 1jac s ASN 20 Ca 0.21 -0.18 0.22 0.00 0.21 0.00 0.00 52.86 53.32 1jac s ASN 20 Cb -0.01 -0.24 0.92 0.00 -0.55 0.00 0.00 41.25 41.37 1jac s ASN 20 CO 0.08 0.08 1.70 0.29 -2.79 0.00 0.00 177.10 176.46 1jac n LYS 21 N 3.13 0.03 0.00 0.43 4.01 -1.26 -2.73 118.16 121.77 1jac n LYS 21 Ca -0.16 0.15 0.01 0.00 -0.51 0.00 0.00 58.31 57.80 1jac n LYS 21 Cb 0.55 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 33.53 1jac n LYS 21 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1jac n GLU 22 N -1.59 3.74 0.00 1.97 2.13 -1.26 -4.55 120.64 121.08 1jac n GLU 22 Ca 0.05 -0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1jac n GLU 22 Cb 0.26 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 31.22 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 -0.61 0.00 -2.57 6.31 -2.24 -1.11 -5.02 114.28 109.05 1jac n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1jac n THR 23 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.76 6.98 0.00 -1.25 -4.56 120.51 116.92 1jac n ALA 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 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 -2.96 3.83 0.00 0.00 -1.09 -0.88 -2.18 121.20 117.93 1jac s ILE 25 Ca 0.00 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1jac s ILE 25 Cb 0.00 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1jac s ILE 25 CO 0.00 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1jac n GLY 26 N 1.08 0.40 3.79 6.18 0.00 -0.04 -1.50 105.19 115.12 1jac n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.18 5.81 -0.11 1.61 1.01 -1.26 -4.34 116.67 119.57 1jac s ASP 27 Ca 0.00 1.90 -0.07 0.00 0.71 0.00 0.00 52.55 55.09 1jac s ASP 27 Cb 0.00 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.43 1jac s ASP 27 CO 0.00 -1.15 0.28 0.12 0.21 0.00 0.00 175.17 174.63 1jac s PHE 28 N -2.27 -0.36 -0.29 4.23 5.36 -0.66 -1.51 117.98 122.48 1jac s PHE 28 Ca 0.66 0.85 -0.15 0.00 -0.96 0.00 0.00 56.93 57.32 1jac s PHE 28 Cb -0.17 0.10 0.11 0.00 -0.34 0.00 0.00 43.02 42.71 1jac s PHE 28 CO 0.33 -0.22 0.78 -1.14 -1.46 0.00 0.00 175.22 173.50 1jac s GLN 29 N 0.95 0.57 0.06 10.12 -0.44 -0.21 -1.45 119.66 129.27 1jac s GLN 29 Ca -0.07 1.09 0.07 0.00 -2.50 0.00 0.00 55.36 53.95 1jac s GLN 29 Cb -0.08 0.27 -0.03 0.00 -1.64 0.00 0.00 33.01 31.53 1jac s GLN 29 CO -0.07 -0.14 -0.19 0.54 0.50 0.00 0.00 175.29 175.94 1jac s VAL 30 N 1.83 1.55 -0.26 1.34 0.11 -1.26 -0.33 120.40 123.39 1jac s VAL 30 Ca -0.09 -1.29 -0.05 0.00 -2.93 0.00 0.00 61.98 57.62 1jac s VAL 30 Cb -0.06 -1.39 -0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1jac s VAL 30 CO -0.18 0.06 0.02 0.68 -3.33 0.00 0.00 175.10 172.34 1jac s VAL 31 N -0.96 3.69 0.58 2.04 -7.23 -0.06 -0.88 120.40 117.58 1jac s VAL 31 Ca 0.05 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1jac s VAL 31 Cb -0.09 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1jac s VAL 31 CO 0.03 0.25 0.80 -0.31 -0.31 0.00 0.00 175.10 175.56 1jac s TYR 32 N 1.49 2.25 -0.22 2.82 1.51 0.21 -1.55 117.35 123.86 1jac s TYR 32 Ca 0.04 -0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1jac s TYR 32 Cb -0.16 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 38.99 1jac s TYR 32 CO -0.00 -1.08 0.09 0.34 -1.11 0.00 0.00 175.55 173.79 1jac s ASP 33 N -4.54 5.56 -0.51 2.29 2.15 -0.38 0.17 116.67 121.40 1jac s ASP 33 Ca 0.60 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.57 1jac s ASP 33 Cb -0.08 -1.98 0.13 0.00 -0.30 0.00 0.00 42.92 40.69 1jac s ASP 33 CO 0.39 0.06 0.27 -0.22 -0.17 0.00 0.00 175.17 175.50 1jac s LEU 34 N 1.06 4.73 -1.49 -1.34 2.96 0.99 -0.49 118.68 125.10 1jac s LEU 34 Ca 0.05 -2.75 -0.10 0.00 -0.22 0.00 0.00 54.13 51.11 1jac s LEU 34 Cb -0.14 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1jac s LEU 34 CO 0.04 -0.32 0.86 0.59 -1.32 0.00 0.00 176.35 176.20 1jac n ASN 35 N 3.53 -3.54 0.00 3.68 5.03 -1.26 -2.25 115.26 120.45 1jac n ASN 35 Ca 0.05 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.67 1jac n ASN 35 Cb 0.36 -3.75 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 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 2.22 3.76 7.41 0.00 -1.26 -5.06 105.19 110.60 1jac n GLY 36 Ca -0.06 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 0.24 5.64 0.76 1.61 0.01 -0.96 -5.09 113.70 115.92 1jac s SER 37 Ca 0.00 0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 1jac s SER 37 Cb 0.00 -1.64 0.05 0.00 0.21 0.00 0.00 66.02 64.64 1jac s SER 37 CO 0.00 0.32 1.11 -2.84 0.41 0.00 0.00 173.24 172.24 1jac s PRO 38 N -1.38 2.24 -0.16 12.44 0.02 -1.26 -0.01 135.00 146.88 1jac s PRO 38 Ca 0.19 1.28 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 1jac s PRO 38 Cb -0.12 -1.89 0.08 0.00 0.02 0.00 0.00 34.50 32.59 1jac s PRO 38 CO 0.09 -1.67 0.24 -0.47 -0.33 0.00 0.00 177.00 174.85 1jac s TYR 39 N -2.73 -0.35 0.00 6.54 6.14 0.13 -4.70 117.35 122.38 1jac s TYR 39 Ca 0.63 0.57 -0.25 0.00 0.64 0.00 0.00 57.07 58.67 1jac s TYR 39 Cb -0.19 -0.21 -0.05 0.00 0.42 0.00 0.00 41.96 41.93 1jac s TYR 39 CO 0.53 -0.48 0.77 0.14 0.64 0.00 0.00 175.55 177.15 1jac s VAL 40 N 2.37 4.86 0.82 3.14 -7.23 -1.26 0.64 120.40 123.73 1jac s VAL 40 Ca 0.05 1.61 -0.10 0.00 -1.81 0.00 0.00 61.98 61.72 1jac s VAL 40 Cb -0.14 -4.11 0.12 0.00 0.56 0.00 0.00 36.38 32.81 1jac s VAL 40 CO -0.10 0.30 1.15 -0.83 -0.31 0.00 0.00 175.10 175.32 1jac s GLY 41 N 0.35 1.70 0.44 2.32 0.00 -0.06 -4.94 107.32 107.13 1jac s GLY 41 Ca 0.40 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 1jac s GLY 41 CO 0.22 -0.48 1.31 1.62 0.00 0.00 0.00 173.10 175.77 1jac s GLN 42 N -5.53 3.80 -0.34 2.90 2.00 -1.26 -4.79 119.66 116.44 1jac s GLN 42 Ca 0.66 2.15 -0.25 0.00 -2.00 0.00 0.00 55.36 55.92 1jac s GLN 42 Cb -0.08 -2.64 0.01 0.00 0.80 0.00 0.00 33.01 31.10 1jac s GLN 42 CO 0.48 -0.63 0.89 1.21 -0.50 0.00 0.00 175.29 176.75 1jac s ASN 43 N -0.81 6.71 -0.54 6.67 3.84 -1.26 -4.65 114.94 124.90 1jac s ASN 43 Ca 0.60 0.68 -0.17 0.00 0.21 0.00 0.00 52.86 54.18 1jac s ASN 43 Cb -0.38 -2.45 0.10 0.00 -0.55 0.00 0.00 41.25 37.97 1jac s ASN 43 CO 0.48 -0.77 0.58 -1.00 -2.79 0.00 0.00 177.10 173.60 1jac s HIS 44 N 3.29 3.13 0.46 0.43 3.76 -0.53 -5.03 115.29 120.80 1jac s HIS 44 Ca 0.37 -0.99 -0.04 0.00 -0.15 0.00 0.00 55.06 54.25 1jac s HIS 44 Cb -0.13 -3.73 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 1jac s HIS 44 CO 0.16 -1.08 0.74 0.15 -0.85 0.00 0.00 174.74 173.85 1jac s LYS 45 N 2.16 3.44 0.75 1.40 1.02 -1.26 -1.65 119.74 125.60 1jac s LYS 45 Ca 0.08 0.03 -0.09 0.00 0.02 0.00 0.00 55.97 56.01 1jac s LYS 45 Cb -0.25 -2.44 0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1jac s LYS 45 CO 0.06 -0.18 1.08 0.45 -0.92 0.00 0.00 175.35 175.84 1jac s SER 46 N -4.12 4.71 0.37 2.83 0.15 -1.26 -4.79 113.70 111.59 1jac s SER 46 Ca 0.46 0.60 0.24 0.00 0.70 0.00 0.00 55.95 57.95 1jac s SER 46 Cb -0.10 -1.19 0.41 0.00 -1.71 0.00 0.00 66.02 63.43 1jac s SER 46 CO 0.43 -1.71 1.60 -0.26 1.20 0.00 0.00 173.24 174.49 1jac h PHE 47 N -0.78 0.00 -4.44 3.44 0.04 0.05 -3.47 116.94 111.78 1jac h PHE 47 Ca -0.45 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 59.97 1jac h PHE 47 Cb 1.32 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.40 1jac h PHE 47 CO 0.33 0.00 -0.26 0.44 -0.60 0.00 0.00 178.31 178.22 1jac n ILE 48 N -2.89 0.00 -4.21 -0.55 -5.35 -1.26 -5.02 119.36 100.08 1jac n ILE 48 Ca 0.04 -1.31 -0.09 0.00 -0.27 0.00 0.00 62.75 61.12 1jac n ILE 48 Cb 0.51 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.70 1jac n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jac n THR 49 N -0.65 0.00 -1.77 7.28 -2.24 -1.26 -4.95 114.28 110.69 1jac n THR 49 Ca -0.09 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1jac n THR 49 Cb 0.35 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.95 0.45 3.39 3.38 0.00 -1.26 -5.09 105.19 109.01 1jac n GLY 50 Ca -0.05 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.78 2.09 -0.37 1.61 0.08 -1.26 -4.76 117.98 112.58 1jac s PHE 51 Ca 0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1jac s PHE 51 Cb 0.00 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1jac s PHE 51 CO 0.00 0.46 0.19 0.99 -0.10 0.00 0.00 175.22 176.77 1jac s THR 52 N -2.01 4.45 0.68 0.64 2.01 0.25 -4.81 115.64 116.85 1jac s THR 52 Ca 0.20 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 1jac s THR 52 Cb -0.06 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1jac s THR 52 CO 0.09 -0.24 1.17 -2.16 -0.69 0.00 0.00 174.62 172.79 1jac s PRO 53 N 1.53 2.52 -0.03 4.92 0.04 -1.26 -1.50 135.00 141.22 1jac s PRO 53 Ca 0.01 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1jac s PRO 53 Cb -0.19 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1jac s PRO 53 CO 0.06 -1.51 0.05 0.08 0.04 0.00 0.00 177.00 175.72 1jac s VAL 54 N -2.07 -0.06 -0.21 -0.36 1.01 0.21 -4.93 120.40 114.01 1jac s VAL 54 Ca 0.72 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1jac s VAL 54 Cb -0.26 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1jac s VAL 54 CO 0.42 0.09 -0.12 -0.75 0.00 0.00 0.00 175.10 174.74 1jac s LYS 55 N 1.07 3.12 -0.59 2.72 2.20 -1.26 -1.40 119.74 125.60 1jac s LYS 55 Ca -0.09 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 54.70 1jac s LYS 55 Cb -0.13 -2.81 0.15 0.00 -1.51 0.00 0.00 37.83 33.54 1jac s LYS 55 CO -0.03 -0.23 0.42 0.42 -0.36 0.00 0.00 175.35 175.56 1jac s ILE 56 N 1.37 3.89 -0.33 5.43 1.01 0.20 -4.97 121.20 127.81 1jac s ILE 56 Ca 0.05 -2.59 -0.20 0.00 0.00 0.00 0.00 60.65 57.90 1jac s ILE 56 Cb -0.14 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1jac s ILE 56 CO -0.08 -0.85 0.63 -0.44 0.00 0.00 0.00 174.94 174.21 1jac s SER 57 N 1.31 6.46 0.35 3.58 0.01 -1.26 -0.92 113.70 123.23 1jac s SER 57 Ca 0.14 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.68 1jac s SER 57 Cb -0.20 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1jac s SER 57 CO -0.04 -0.53 0.58 -0.76 0.41 0.00 0.00 173.24 172.90 1jac s LEU 58 N 2.66 3.97 -1.38 2.44 1.02 -0.41 -4.97 118.68 122.00 1jac s LEU 58 Ca 0.25 0.58 -0.08 0.00 0.02 0.00 0.00 54.13 54.90 1jac s LEU 58 Cb -0.15 -3.44 0.08 0.00 0.02 0.00 0.00 46.19 42.70 1jac s LEU 58 CO 0.13 -0.31 2.38 -0.67 0.02 0.00 0.00 176.35 177.90 1jac n ASP 59 N -1.66 7.28 0.00 2.29 2.03 -1.26 -4.85 116.55 120.38 1jac n ASP 59 Ca -0.03 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1jac n ASP 59 Cb 0.55 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1jac n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1jac n PHE 60 N 2.83 0.00 -0.23 -0.67 7.35 -1.26 -1.59 117.46 123.89 1jac n PHE 60 Ca 0.60 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 57.30 1jac n PHE 60 Cb 0.28 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.19 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 0.02 0.15 -7.13 0.11 -1.92 -2.85 132.00 120.38 1jac h PRO 61 Ca 0.00 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 1jac h PRO 61 Cb 0.00 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.13 1jac h PRO 61 CO 0.00 0.01 -1.28 0.77 -0.21 0.00 0.00 178.00 177.29 1jac h SER 62 N 0.02 0.78 -3.59 -2.05 0.02 -1.73 -3.44 113.55 103.56 1jac h SER 62 Ca 0.34 -0.76 -0.64 0.00 -0.84 0.00 0.00 61.79 59.89 1jac h SER 62 Cb 0.53 -0.25 -0.21 0.00 0.14 0.00 0.00 62.40 62.61 1jac h SER 62 CO -0.68 1.57 -0.61 -0.70 -1.14 0.00 0.00 176.83 175.27 1jac s GLU 63 N -2.86 3.72 0.04 3.45 2.12 -0.62 -4.93 118.70 119.61 1jac s GLU 63 Ca -0.08 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1jac s GLU 63 Cb 0.06 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 1jac s GLU 63 CO 0.93 -0.10 -0.04 1.52 -0.54 0.00 0.00 175.26 177.03 1jac s TYR 64 N 1.38 0.44 0.19 5.30 1.13 -1.26 -4.15 117.35 120.38 1jac s TYR 64 Ca 0.05 -0.72 -0.31 0.00 -1.41 0.00 0.00 57.07 54.68 1jac s TYR 64 Cb -0.15 -0.30 -0.11 0.00 -1.10 0.00 0.00 41.96 40.30 1jac s TYR 64 CO 0.04 -0.23 1.58 0.42 -2.51 0.00 0.00 175.55 174.85 1jac s ILE 65 N -2.37 2.47 -0.10 -3.49 1.01 -1.26 -2.42 121.20 115.03 1jac s ILE 65 Ca -0.06 0.35 0.12 0.00 0.00 0.00 0.00 60.65 61.06 1jac s ILE 65 Cb -0.03 -3.22 -0.17 0.00 0.01 0.00 0.00 42.46 39.04 1jac s ILE 65 CO -0.04 0.03 0.10 0.23 0.00 0.00 0.00 174.94 175.27 1jac n MET 66 N 3.60 1.55 -3.66 2.79 2.81 0.50 -4.74 117.12 119.97 1jac n MET 66 Ca 0.13 -0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.84 1jac n MET 66 Cb 0.38 -1.34 -0.08 0.00 -0.71 0.00 0.00 33.22 31.48 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 -2.46 0.78 -0.12 0.03 2.12 -0.80 -0.76 118.70 117.49 1jac s GLU 67 Ca -0.06 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1jac s GLU 67 Cb 0.05 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.82 1jac s GLU 67 CO 0.55 -0.19 -0.11 0.08 -0.54 0.00 0.00 175.26 175.04 1jac s VAL 68 N -0.76 1.23 0.29 3.70 1.01 -0.76 -1.50 120.40 123.61 1jac s VAL 68 Ca -0.08 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1jac s VAL 68 Cb -0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1jac s VAL 68 CO 0.05 0.40 0.01 -0.55 0.00 0.00 0.00 175.10 175.01 1jac s SER 69 N 1.45 2.36 0.00 3.32 0.15 -0.72 -0.56 113.70 119.69 1jac s SER 69 Ca 0.01 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1jac s SER 69 Cb -0.13 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1jac s SER 69 CO -0.07 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1jac n GLY 70 N -0.60 -0.63 3.30 9.45 0.00 -1.11 -0.29 105.19 115.32 1jac n GLY 70 Ca -0.04 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.38 -0.41 0.03 1.61 1.51 -0.85 -3.35 117.35 112.51 1jac s TYR 71 Ca 0.00 0.95 0.08 0.00 -1.01 0.00 0.00 57.07 57.08 1jac s TYR 71 Cb 0.00 0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.98 1jac s TYR 71 CO 0.00 -0.27 -0.22 0.95 -1.11 0.00 0.00 175.55 174.90 1jac s THR 72 N -0.15 2.49 0.19 -0.71 -4.23 -0.13 -0.94 115.64 112.16 1jac s THR 72 Ca -0.03 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.00 1jac s THR 72 Cb -0.03 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.86 1jac s THR 72 CO 0.02 0.38 0.95 -0.83 -0.54 0.00 0.00 174.62 174.59 1jac s GLY 73 N -1.28 -0.10 -0.21 3.99 0.00 -0.46 -0.81 107.32 108.44 1jac s GLY 73 Ca 0.13 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.64 1jac s GLY 73 CO 0.03 0.48 0.30 0.21 0.00 0.00 0.00 173.10 174.13 1jac s ASN 74 N -3.05 6.31 -0.31 1.64 3.04 -1.26 0.57 114.94 121.88 1jac s ASN 74 Ca 0.14 0.36 -0.01 0.00 0.04 0.00 0.00 52.86 53.39 1jac s ASN 74 Cb -0.02 -2.18 0.10 0.00 -1.54 0.00 0.00 41.25 37.61 1jac s ASN 74 CO 0.04 -0.02 0.10 0.68 -3.04 0.00 0.00 177.10 174.86 1jac s VAL 75 N 1.19 0.77 -0.44 -5.21 -7.23 0.37 -4.75 120.40 105.09 1jac s VAL 75 Ca 0.15 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1jac s VAL 75 Cb -0.14 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1jac s VAL 75 CO 0.06 -0.68 0.39 -0.24 -0.31 0.00 0.00 175.10 174.32 1jac n SER 76 N 4.89 -3.29 0.00 4.85 2.88 -1.26 -1.89 113.62 119.79 1jac n SER 76 Ca -0.02 -0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1jac n SER 76 Cb 0.42 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.87 1jac n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jac n GLY 77 N -1.01 1.74 3.27 0.46 0.00 -1.26 -5.02 105.19 103.37 1jac n GLY 77 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.00 3.03 -0.22 1.61 2.02 -0.79 -5.07 117.35 114.93 1jac s TYR 78 Ca 0.00 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.21 1jac s TYR 78 Cb 0.00 -2.11 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1jac s TYR 78 CO 0.00 -0.63 1.23 0.54 -1.57 0.00 0.00 175.55 175.12 1jac s VAL 79 N 1.42 4.31 0.36 0.71 0.11 -1.26 -0.48 120.40 125.57 1jac s VAL 79 Ca 0.03 1.55 0.06 0.00 -2.93 0.00 0.00 61.98 60.69 1jac s VAL 79 Cb -0.16 -4.11 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1jac s VAL 79 CO -0.03 -0.26 0.22 1.33 -3.33 0.00 0.00 175.10 173.03 1jac n VAL 80 N 5.63 0.00 -3.09 2.04 0.24 0.19 -4.82 118.33 118.53 1jac n VAL 80 Ca 0.14 -2.35 -0.41 0.00 -2.04 0.00 0.00 64.34 59.67 1jac n VAL 80 Cb 0.46 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1jac n VAL 80 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jac s VAL 81 N -3.21 4.92 -0.12 3.34 1.01 0.39 -1.36 120.40 125.38 1jac s VAL 81 Ca 0.31 0.97 0.17 0.00 0.00 0.00 0.00 61.98 63.43 1jac s VAL 81 Cb 0.02 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.20 1jac s VAL 81 CO 0.22 -0.12 0.64 0.54 0.00 0.00 0.00 175.10 176.38 1jac n ARG 82 N 5.89 0.64 -3.85 2.72 1.74 -0.11 -2.07 116.66 121.62 1jac n ARG 82 Ca -0.00 0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 57.11 1jac n ARG 82 Cb 0.49 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.11 1jac n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jac s SER 83 N -5.62 0.00 -0.11 0.55 0.15 -1.19 -0.29 113.70 107.19 1jac s SER 83 Ca -0.05 -0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 1jac s SER 83 Cb 0.09 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1jac s SER 83 CO 0.83 -0.44 0.33 -0.22 1.20 0.00 0.00 173.24 174.94 1jac s LEU 84 N -1.62 0.73 -0.10 3.45 2.96 -0.57 -2.02 118.68 121.51 1jac s LEU 84 Ca -0.11 0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1jac s LEU 84 Cb -0.05 1.17 0.03 0.00 0.50 0.00 0.00 46.19 47.84 1jac s LEU 84 CO 0.00 -0.16 0.26 0.28 -1.32 0.00 0.00 176.35 175.41 1jac s THR 85 N -0.00 -0.01 -0.19 3.68 -1.32 0.61 -1.73 115.64 116.67 1jac s THR 85 Ca -0.02 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.50 1jac s THR 85 Cb -0.03 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1jac s THR 85 CO 0.01 0.02 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.94 1jac s PHE 86 N 0.50 2.85 -0.17 9.09 0.40 -1.15 -1.76 117.98 127.73 1jac s PHE 86 Ca -0.03 -1.31 -0.06 0.00 -0.60 0.00 0.00 56.93 54.93 1jac s PHE 86 Cb -0.04 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1jac s PHE 86 CO -0.03 -0.68 0.03 0.21 0.70 0.00 0.00 175.22 175.46 1jac s LYS 87 N 1.32 3.84 0.45 0.44 2.20 -0.56 -0.60 119.74 126.83 1jac s LYS 87 Ca 0.04 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 1jac s LYS 87 Cb -0.14 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1jac s LYS 87 CO -0.08 0.29 0.22 0.25 -0.36 0.00 0.00 175.35 175.67 1jac n THR 88 N 3.45 0.00 1.17 3.43 -2.24 0.76 -0.37 114.28 120.47 1jac n THR 88 Ca -0.17 -1.90 0.11 0.00 -2.27 0.00 0.00 64.05 59.82 1jac n THR 88 Cb 0.52 0.08 0.59 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.65 0.00 0.00 3.42 6.94 -1.02 -3.74 115.26 119.21 1jac n ASN 89 Ca -0.07 -0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.16 1jac n ASN 89 Cb 0.53 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.16 2.77 -3.95 -3.83 5.02 -1.26 -5.05 118.16 110.70 1jac n LYS 90 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 1jac n LYS 90 Cb 0.13 -0.85 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.69 1.56 -0.17 1.97 1.02 -1.25 -5.15 119.74 116.03 1jac s LYS 91 Ca 0.00 -1.17 -0.00 0.00 0.02 0.00 0.00 55.97 54.81 1jac s LYS 91 Cb 0.00 0.50 0.00 0.00 -0.52 0.00 0.00 37.83 37.81 1jac s LYS 91 CO 0.00 -0.66 -0.14 0.99 -0.92 0.00 0.00 175.35 174.61 1jac s THR 92 N -3.99 2.64 -1.16 2.17 2.01 -1.26 -0.17 115.64 115.88 1jac s THR 92 Ca 0.19 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1jac s THR 92 Cb -0.01 -2.13 0.24 0.00 0.01 0.00 0.00 72.50 70.60 1jac s THR 92 CO 0.07 0.50 1.33 -1.22 -0.69 0.00 0.00 174.62 174.62 1jac n TYR 93 N 4.35 4.59 0.00 4.92 4.02 0.24 -4.98 117.16 130.29 1jac n TYR 93 Ca -0.19 -3.47 0.00 0.00 -0.01 0.00 0.00 57.90 54.23 1jac n TYR 93 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 39.34 38.01 1jac n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jac n GLY 94 N 2.94 0.00 3.68 2.72 0.00 -1.26 -2.96 105.19 110.30 1jac n GLY 94 Ca 0.30 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.43 -4.29 1.61 -0.04 -1.26 -4.76 135.00 127.69 1jac n PRO 95 Ca 0.00 0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 63.63 1jac n PRO 95 Cb 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.11 3.09 0.00 0.54 2.02 -0.70 -4.97 117.35 121.44 1jac s TYR 96 Ca 0.98 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 1jac s TYR 96 Cb -0.95 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1jac s TYR 96 CO 0.60 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.03 1jac n GLY 97 N 3.47 -1.81 3.73 0.71 0.00 -1.26 -1.51 105.19 108.52 1jac n GLY 97 Ca -0.17 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 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 4.99 -1.08 1.61 1.01 0.60 -4.84 120.40 122.69 1jac s VAL 98 Ca 0.00 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 1jac s VAL 98 Cb 0.00 -3.99 0.24 0.00 0.00 0.00 0.00 36.38 32.63 1jac s VAL 98 CO 0.00 0.32 2.10 0.35 0.00 0.00 0.00 175.10 177.87 1jac n THR 99 N 3.36 5.45 -4.31 3.92 -2.24 -1.26 -3.19 114.28 116.00 1jac n THR 99 Ca -0.04 -5.09 -0.17 0.00 -2.27 0.00 0.00 64.05 56.48 1jac n THR 99 Cb 0.51 -1.71 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 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 -0.62 2.34 0.00 3.42 0.01 -1.26 -5.08 113.70 112.51 1jac s SER 100 Ca 0.47 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1jac s SER 100 Cb 0.22 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1jac s SER 100 CO -0.15 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1jac n GLY 101 N -0.25 0.43 3.64 3.44 0.00 -1.26 -4.47 105.19 106.72 1jac n GLY 101 Ca -0.09 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 4.08 0.65 2.61 -4.23 0.01 -4.91 115.64 113.84 1jac s THR 102 Ca 0.00 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 1jac s THR 102 Cb 0.00 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.15 1jac s THR 102 CO 0.00 0.60 0.99 -2.16 -0.54 0.00 0.00 174.62 173.51 1jac s PRO 103 N -0.79 2.82 -0.05 3.99 0.04 -1.26 -0.96 135.00 138.79 1jac s PRO 103 Ca 0.12 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.02 1jac s PRO 103 Cb -0.11 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.34 1jac s PRO 103 CO 0.02 -0.89 0.67 -0.59 0.04 0.00 0.00 177.00 176.25 1jac s PHE 104 N -3.17 -0.65 -0.22 0.56 -0.12 -1.21 -4.92 117.98 108.24 1jac s PHE 104 Ca 0.56 1.12 -0.17 0.00 -0.05 0.00 0.00 56.93 58.39 1jac s PHE 104 Cb -0.11 0.40 0.06 0.00 -0.63 0.00 0.00 43.02 42.75 1jac s PHE 104 CO 0.48 -0.60 0.58 0.54 -0.05 0.00 0.00 175.22 176.16 1jac s ASN 105 N -1.18 -0.68 -0.39 1.98 4.22 -1.26 -2.76 114.94 114.87 1jac s ASN 105 Ca -0.11 1.21 0.04 0.00 -2.14 0.00 0.00 52.86 51.85 1jac s ASN 105 Cb -0.00 1.16 0.11 0.00 1.28 0.00 0.00 41.25 43.79 1jac s ASN 105 CO 0.10 -0.21 0.12 -0.22 -2.04 0.00 0.00 177.10 174.84 1jac s LEU 106 N 0.89 4.39 0.09 3.54 2.96 0.27 -4.98 118.68 125.84 1jac s LEU 106 Ca -0.05 -2.37 -0.22 0.00 -0.22 0.00 0.00 54.13 51.28 1jac s LEU 106 Cb -0.05 -1.56 -0.07 0.00 0.50 0.00 0.00 46.19 45.01 1jac s LEU 106 CO -0.08 -0.34 0.64 -2.84 -1.32 0.00 0.00 176.35 172.42 1jac s PRO 107 N 0.62 4.34 -0.20 0.98 0.02 -1.26 -1.83 135.00 137.66 1jac s PRO 107 Ca 0.13 0.88 -0.04 0.00 0.02 0.00 0.00 61.00 61.99 1jac s PRO 107 Cb -0.21 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 1jac s PRO 107 CO -0.07 0.56 -0.04 0.96 -0.33 0.00 0.00 177.00 178.07 1jac s ILE 108 N -0.91 3.49 -0.01 2.83 -4.36 0.06 -4.98 121.20 117.31 1jac s ILE 108 Ca 0.32 -0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.27 1jac s ILE 108 Cb -0.20 -2.57 -0.25 0.00 1.25 0.00 0.00 42.46 40.69 1jac s ILE 108 CO 0.21 0.44 0.79 -0.08 0.24 0.00 0.00 174.94 176.54 1jac h GLU 109 N 7.73 0.14 -1.82 0.37 4.81 -1.98 -3.46 114.58 120.38 1jac h GLU 109 Ca -0.38 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.55 1jac h GLU 109 Cb 1.17 0.09 -0.26 0.00 0.63 0.00 0.00 28.75 30.38 1jac h GLU 109 CO 0.60 0.92 -0.38 1.21 -0.73 0.00 0.00 179.01 180.64 1jac s ASN 110 N -6.68 -0.38 0.00 1.04 3.04 -1.26 -5.14 114.94 105.56 1jac s ASN 110 Ca -0.08 0.66 0.00 0.00 0.04 0.00 0.00 52.86 53.48 1jac s ASN 110 Cb 0.08 1.52 0.00 0.00 -1.54 0.00 0.00 41.25 41.31 1jac s ASN 110 CO 0.83 -0.27 0.00 0.61 -3.04 0.00 0.00 177.10 175.23 1jac n GLY 111 N 5.39 1.60 2.96 1.21 0.00 -1.26 -4.99 105.19 110.10 1jac n GLY 111 Ca -0.05 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 2.12 -0.08 0.99 1.02 0.15 -4.94 118.68 117.94 1jac s LEU 112 Ca 0.00 -0.28 -0.28 0.00 0.02 0.00 0.00 54.13 53.59 1jac s LEU 112 Cb 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 46.19 46.11 1jac s LEU 112 CO 0.00 -0.11 0.94 -0.63 0.02 0.00 0.00 176.35 176.58 1jac s ILE 113 N -0.72 4.85 0.00 -0.59 1.01 -1.26 -1.19 121.20 123.29 1jac s ILE 113 Ca -0.06 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1jac s ILE 113 Cb -0.05 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1jac s ILE 113 CO -0.00 0.08 0.21 0.52 0.00 0.00 0.00 174.94 175.74 1jac n VAL 114 N 4.29 0.00 -3.61 2.92 0.31 -0.20 -4.54 118.33 117.51 1jac n VAL 114 Ca 0.06 -0.43 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1jac n VAL 114 Cb 0.50 1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 34.48 1jac n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1jac s GLY 115 N -0.45 -0.35 0.07 2.92 0.00 -1.23 -1.36 107.32 106.92 1jac s GLY 115 Ca 0.00 0.95 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1jac s GLY 115 CO 0.00 0.28 -0.12 -1.36 0.00 0.00 0.00 173.10 171.89 1jac s PHE 116 N -2.71 1.08 0.06 1.90 0.08 -1.24 -1.61 117.98 115.53 1jac s PHE 116 Ca 0.10 -0.50 -0.17 0.00 0.12 0.00 0.00 56.93 56.49 1jac s PHE 116 Cb 0.01 -0.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1jac s PHE 116 CO -0.04 0.02 0.38 -1.59 -0.10 0.00 0.00 175.22 173.89 1jac s LYS 117 N -1.88 0.92 0.00 0.44 -2.85 -0.96 -0.79 119.74 114.61 1jac s LYS 117 Ca -0.02 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 1jac s LYS 117 Cb -0.09 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1jac s LYS 117 CO 0.02 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1jac n GLY 118 N 0.40 -0.62 3.39 0.59 0.00 -0.78 -0.20 105.19 107.97 1jac n GLY 118 Ca -0.18 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.46 -0.02 1.61 0.15 -0.01 -0.80 113.70 110.17 1jac s SER 119 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1jac s SER 119 Cb 0.00 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1jac s SER 119 CO 0.00 -0.44 0.01 -0.63 1.20 0.00 0.00 173.24 173.38 1jac s ILE 120 N -0.84 0.06 0.00 6.45 1.01 -0.72 -0.15 121.20 127.01 1jac s ILE 120 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1jac s ILE 120 Cb -0.03 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1jac s ILE 120 CO 0.05 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1jac n GLY 121 N 3.76 1.49 0.11 6.18 0.00 -1.26 -0.29 105.19 115.18 1jac n GLY 121 Ca -0.22 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 0.53 -3.55 1.61 -1.99 -1.95 0.63 116.97 112.25 1jac h TYR 122 Ca 0.00 -0.39 -0.42 0.00 2.00 0.00 0.00 58.73 59.92 1jac h TYR 122 Cb 0.00 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 38.57 1jac h TYR 122 CO 0.00 1.35 -0.58 -1.58 -0.00 0.00 0.00 178.16 177.35 1jac s TRP 123 N -2.63 1.65 -0.40 4.88 0.51 -1.26 -4.52 118.94 117.16 1jac s TRP 123 Ca -0.07 -1.23 -0.29 0.00 -2.12 0.00 0.00 56.10 52.40 1jac s TRP 123 Cb 0.07 -0.97 0.00 0.00 -0.81 0.00 0.00 33.47 31.76 1jac s TRP 123 CO 0.88 -0.35 1.50 -1.17 -0.51 0.00 0.00 176.95 177.30 1jac s LEU 124 N -3.40 3.55 0.05 2.99 2.96 -0.56 -4.38 118.68 119.89 1jac s LEU 124 Ca 0.35 0.90 -0.20 0.00 -0.22 0.00 0.00 54.13 54.96 1jac s LEU 124 Cb 0.06 -3.51 -0.14 0.00 0.50 0.00 0.00 46.19 43.11 1jac s LEU 124 CO 0.15 -1.52 1.36 0.44 -1.32 0.00 0.00 176.35 175.46 1jac h ASP 125 N 11.25 0.41 -5.24 3.68 3.32 -0.87 0.11 116.42 129.09 1jac h ASP 125 Ca -0.29 -0.47 0.13 0.00 0.02 0.00 0.00 57.03 56.43 1jac h ASP 125 Cb 1.12 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 1jac h ASP 125 CO 1.08 0.79 0.42 -0.72 -1.72 0.00 0.00 179.24 179.09 1jac s TYR 126 N -4.35 -0.09 -0.06 4.55 -0.85 -1.22 -4.24 117.35 111.10 1jac s TYR 126 Ca -0.14 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 55.82 1jac s TYR 126 Cb 0.06 0.68 0.11 0.00 0.38 0.00 0.00 41.96 43.19 1jac s TYR 126 CO 0.76 -1.01 0.91 -0.59 -1.52 0.00 0.00 175.55 174.10 1jac s PHE 127 N -3.17 -0.38 0.06 -3.49 -0.71 -1.26 -0.83 117.98 108.20 1jac s PHE 127 Ca 0.14 0.44 -0.00 0.00 -1.04 0.00 0.00 56.93 56.46 1jac s PHE 127 Cb -0.03 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1jac s PHE 127 CO 0.05 -0.48 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.29 1jac s SER 128 N -1.89 0.64 0.09 1.98 0.01 0.73 -4.93 113.70 110.33 1jac s SER 128 Ca 0.01 -0.99 0.07 0.00 1.31 0.00 0.00 55.95 56.35 1jac s SER 128 Cb -0.01 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1jac s SER 128 CO -0.04 -0.56 -0.19 -0.04 0.41 0.00 0.00 173.24 172.82 1jac s MET 129 N -3.86 1.09 -0.05 12.44 -1.94 -1.26 -2.27 119.30 123.45 1jac s MET 129 Ca 0.08 -1.08 -0.16 0.00 -1.71 0.00 0.00 55.69 52.82 1jac s MET 129 Cb 0.07 -1.29 -0.05 0.00 2.01 0.00 0.00 34.83 35.57 1jac s MET 129 CO -0.09 0.30 0.43 0.71 -0.01 0.00 0.00 175.02 176.37 1jac s TYR 130 N -1.12 3.64 0.17 -0.03 1.51 -0.63 -4.98 117.35 115.91 1jac s TYR 130 Ca 0.05 0.94 0.10 0.00 -1.01 0.00 0.00 57.07 57.15 1jac s TYR 130 Cb -0.10 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1jac s TYR 130 CO 0.03 0.45 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.25 1jac s LEU 131 N -0.40 2.71 0.32 -1.29 1.02 -1.26 -1.03 118.68 118.75 1jac s LEU 131 Ca 0.24 -0.68 -0.16 0.00 0.02 0.00 0.00 54.13 53.56 1jac s LEU 131 Cb -0.16 -1.45 0.03 0.00 0.02 0.00 0.00 46.19 44.63 1jac s LEU 131 CO 0.12 0.13 0.67 -0.55 0.02 0.00 0.00 176.35 176.74 1jac s SER 132 N -2.60 -0.00 0.00 2.29 0.15 -0.33 -4.89 113.70 108.32 1jac s SER 132 Ca 0.22 -0.95 0.22 0.00 0.70 0.00 0.00 55.95 56.14 1jac s SER 132 Cb -0.09 0.74 0.18 0.00 -1.71 0.00 0.00 66.02 65.13 1jac s SER 132 CO 0.12 -1.42 1.20 -0.11 1.20 0.00 0.00 173.24 174.23