#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn s PRO 2 N 0.00 -0.36 -0.33 1.61 0.04 -1.26 -5.07 135.00 129.63 1jkn s PRO 2 Ca 0.00 0.21 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 1jkn s PRO 2 Cb 0.00 -1.67 0.19 0.00 0.04 0.00 0.00 34.50 33.06 1jkn s PRO 2 CO 0.00 -3.20 1.06 -1.17 0.04 0.00 0.00 177.00 173.73 1jkn s LEU 3 N -6.68 -0.33 -0.13 -3.56 2.96 -1.26 -5.04 118.68 104.64 1jkn s LEU 3 Ca 0.68 -0.22 0.22 0.00 -0.22 0.00 0.00 54.13 54.58 1jkn s LEU 3 Cb -0.14 0.43 0.46 0.00 0.50 0.00 0.00 46.19 47.43 1jkn s LEU 3 CO 0.57 -0.03 1.16 0.61 -1.32 0.00 0.00 176.35 177.34 1jkn n GLY 4 N 3.43 2.23 0.00 7.98 0.00 -1.26 -4.61 105.19 112.96 1jkn n GLY 4 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jkn n SER 5 N -0.15 0.00 0.00 1.61 3.41 -1.26 -4.92 113.62 112.31 1jkn n SER 5 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1jkn n SER 5 Cb 0.97 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1jkn n SER 5 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1jkn n MET 6 N 0.00 0.67 -1.30 4.33 2.81 -0.43 -4.96 117.12 118.23 1jkn n MET 6 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1jkn n MET 6 Cb 0.00 -0.96 -0.04 0.00 -0.71 0.00 0.00 33.22 31.51 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jkn n ASP 7 N -2.32 -4.50 0.00 7.83 8.00 -1.26 -4.87 116.55 119.44 1jkn n ASP 7 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1jkn n ASP 7 Cb 0.46 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jkn n SER 8 N -0.04 0.00 -4.60 -2.24 2.88 -1.26 -4.89 113.62 103.47 1jkn n SER 8 Ca -0.10 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.01 1jkn n SER 8 Cb 0.38 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jkn s PRO 9 N -0.30 3.23 0.68 -1.46 0.04 -1.26 -4.88 135.00 131.05 1jkn s PRO 9 Ca 0.00 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1jkn s PRO 9 Cb 0.00 -4.27 0.16 0.00 0.04 0.00 0.00 34.50 30.43 1jkn s PRO 9 CO 0.00 -1.98 0.92 -2.30 0.04 0.00 0.00 177.00 173.68 1jkn n PRO 10 N 8.56 -0.94 -3.31 0.56 -0.02 -1.26 -5.07 135.00 133.52 1jkn n PRO 10 Ca 0.25 -1.42 -0.31 0.00 -2.02 0.00 0.00 63.50 60.00 1jkn n PRO 10 Cb 0.46 -0.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.94 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkn s GLU 11 N -5.01 3.77 0.00 -0.52 2.02 -1.26 -4.17 118.70 113.53 1jkn s GLU 11 Ca 0.52 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.77 1jkn s GLU 11 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1jkn s GLU 11 CO 0.37 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1jkn n GLY 12 N -0.48 3.18 3.67 -1.39 0.00 -1.26 -5.03 105.19 103.87 1jkn n GLY 12 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -2.70 3.17 0.44 1.61 2.02 -1.26 -2.06 117.35 118.58 1jkn s TYR 13 Ca 0.00 0.15 -0.17 0.00 -0.37 0.00 0.00 57.07 56.68 1jkn s TYR 13 Cb 0.00 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.63 1jkn s TYR 13 CO 0.00 0.40 0.91 -0.98 -1.57 0.00 0.00 175.55 174.32 1jkn s ARG 14 N -0.66 4.04 0.14 -0.62 1.70 -1.23 -4.60 118.95 117.72 1jkn s ARG 14 Ca 0.11 0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 55.98 1jkn s ARG 14 Cb -0.12 -2.22 -0.09 0.00 -0.57 0.00 0.00 34.95 31.95 1jkn s ARG 14 CO 0.02 -0.10 1.45 1.03 -1.08 0.00 0.00 175.30 176.63 1jkn s ARG 15 N -3.56 4.28 0.11 3.89 1.81 -1.26 -2.68 118.95 121.54 1jkn s ARG 15 Ca 0.59 2.18 -0.15 0.00 -1.72 0.00 0.00 55.73 56.63 1jkn s ARG 15 Cb -0.10 -3.21 0.03 0.00 -0.45 0.00 0.00 34.95 31.23 1jkn s ARG 15 CO 0.23 -0.49 0.37 -0.80 -0.68 0.00 0.00 175.30 173.93 1jkn s ASN 16 N 1.06 -0.19 -0.04 0.23 -0.87 -1.19 -1.87 114.94 112.08 1jkn s ASN 16 Ca 0.66 -0.34 0.01 0.00 -1.57 0.00 0.00 52.86 51.62 1jkn s ASN 16 Cb -0.39 0.45 0.02 0.00 -0.02 0.00 0.00 41.25 41.30 1jkn s ASN 16 CO 0.31 -0.82 -0.06 0.68 -2.57 0.00 0.00 177.10 174.64 1jkn s VAL 17 N -3.72 0.62 -0.03 1.60 -7.23 0.13 -3.11 120.40 108.67 1jkn s VAL 17 Ca 0.03 -0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 59.97 1jkn s VAL 17 Cb 0.02 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1jkn s VAL 17 CO -0.11 0.23 0.14 -0.83 -0.31 0.00 0.00 175.10 174.22 1jkn s GLY 18 N 0.71 2.12 -0.32 2.32 0.00 -1.24 -1.89 107.32 109.01 1jkn s GLY 18 Ca -0.10 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1jkn s GLY 18 CO 0.01 -0.63 0.02 -0.42 0.00 0.00 0.00 173.10 172.08 1jkn s ILE 19 N -1.23 2.20 -0.50 0.90 1.09 -0.73 0.25 121.20 123.18 1jkn s ILE 19 Ca 0.24 -2.18 -0.22 0.00 -1.10 0.00 0.00 60.65 57.38 1jkn s ILE 19 Cb -0.12 -2.57 0.04 0.00 -1.06 0.00 0.00 42.46 38.74 1jkn s ILE 19 CO 0.14 -0.50 0.79 0.00 -0.10 0.00 0.00 174.94 175.27 1jkn s LEU 21 N 3.31 3.99 0.17 0.00 2.96 -1.26 0.23 118.68 128.09 1jkn s LEU 21 Ca 0.25 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1jkn s LEU 21 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1jkn s LEU 21 CO 0.18 0.35 -0.15 0.00 -1.32 0.00 0.00 176.35 175.42 1jkn s MET 22 N -1.23 1.21 0.44 1.98 0.23 0.43 0.74 119.30 123.09 1jkn s MET 22 Ca 0.17 -1.44 0.08 0.00 -1.03 0.00 0.00 55.69 53.48 1jkn s MET 22 Cb -0.12 -1.06 0.01 0.00 -1.53 0.00 0.00 34.83 32.14 1jkn s MET 22 CO 0.07 0.19 0.57 0.54 -2.03 0.00 0.00 175.02 174.36 1jkn s ASN 23 N -2.92 5.51 0.51 -1.18 4.22 -0.72 -1.70 114.94 118.66 1jkn s ASN 23 Ca 0.17 -0.52 0.28 0.00 -2.14 0.00 0.00 52.86 50.64 1jkn s ASN 23 Cb -0.03 -0.53 1.51 0.00 1.28 0.00 0.00 41.25 43.48 1jkn s ASN 23 CO 0.05 -0.81 1.82 -1.13 -2.04 0.00 0.00 177.10 174.99 1jkn h ASN 24 N 0.64 0.00 -0.02 3.54 -1.24 -1.92 0.49 115.58 117.07 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 1jkn h ASN 24 CO 0.46 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.07 1jkn n ASP 25 N -2.60 1.37 -0.32 1.15 9.92 -1.26 -4.91 116.55 119.91 1jkn n ASP 25 Ca -0.02 -1.47 -0.03 0.00 -0.53 0.00 0.00 54.79 52.74 1jkn n ASP 25 Cb 0.21 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.68 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1jkn n LYS 26 N 0.08 -0.24 -2.81 -1.24 5.02 0.17 -5.05 118.16 114.09 1jkn n LYS 26 Ca 0.19 0.33 -0.20 0.00 -2.02 0.00 0.00 58.31 56.61 1jkn n LYS 26 Cb 0.33 -3.99 0.04 0.00 -0.02 0.00 0.00 35.03 31.39 1jkn n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jkn s LYS 27 N -3.44 2.49 -0.21 1.97 -0.14 -1.25 -4.81 119.74 114.35 1jkn s LYS 27 Ca 0.00 -1.09 -0.04 0.00 -1.36 0.00 0.00 55.97 53.48 1jkn s LYS 27 Cb 0.00 -2.58 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 1jkn s LYS 27 CO 0.00 -0.68 -0.03 0.42 -0.76 0.00 0.00 175.35 174.30 1jkn s ILE 28 N -2.66 3.54 -0.29 2.17 1.09 0.22 -1.75 121.20 123.52 1jkn s ILE 28 Ca 0.58 -0.44 -0.31 0.00 -1.10 0.00 0.00 60.65 59.38 1jkn s ILE 28 Cb -0.09 -2.61 -0.08 0.00 -1.06 0.00 0.00 42.46 38.62 1jkn s ILE 28 CO 0.37 0.42 2.23 0.33 -0.10 0.00 0.00 174.94 178.19 1jkn n PHE 29 N 4.65 1.77 -4.97 3.97 -0.00 0.23 -3.05 117.46 120.05 1jkn n PHE 29 Ca -0.18 0.05 -0.32 0.00 -0.00 0.00 0.00 57.45 57.00 1jkn n PHE 29 Cb 0.51 -2.64 -0.16 0.00 -0.00 0.00 0.00 39.48 37.20 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jkn s ALA 30 N 8.14 2.42 -0.08 3.13 0.00 -0.51 -4.66 121.76 130.21 1jkn s ALA 30 Ca 1.05 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1jkn s ALA 30 Cb -0.55 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1jkn s ALA 30 CO 0.40 0.27 -0.14 0.00 0.00 0.00 0.00 175.76 176.29 1jkn s ALA 31 N 0.34 2.63 0.49 0.00 0.00 -0.39 0.62 121.76 125.45 1jkn s ALA 31 Ca -0.15 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1jkn s ALA 31 Cb -0.17 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.83 1jkn s ALA 31 CO 0.07 0.44 0.91 -1.54 0.00 0.00 0.00 175.76 175.64 1jkn s SER 32 N -0.31 6.53 0.68 0.00 1.04 0.24 -0.87 113.70 121.01 1jkn s SER 32 Ca 0.03 1.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 1jkn s SER 32 Cb -0.13 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.57 1jkn s SER 32 CO 0.03 -0.56 1.08 -0.13 0.98 0.00 0.00 173.24 174.64 1jkn s ARG 33 N -4.15 2.83 0.00 4.02 0.52 0.43 -1.54 118.95 121.06 1jkn s ARG 33 Ca 0.56 1.19 0.25 0.00 -0.52 0.00 0.00 55.73 57.20 1jkn s ARG 33 Cb -0.10 -1.97 0.51 0.00 0.52 0.00 0.00 34.95 33.91 1jkn s ARG 33 CO 0.34 -1.20 1.41 1.28 0.02 0.00 0.00 175.30 177.15 1jkn n LEU 34 N -2.75 1.06 0.00 2.53 4.77 -0.63 -4.01 117.00 117.97 1jkn n LEU 34 Ca 0.09 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1jkn n LEU 34 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1jkn n LEU 34 CO 0.51 0.21 -0.24 -0.67 -1.33 0.00 0.00 177.39 175.87 1jkn n ASP 35 N -0.80 2.37 -4.08 -1.43 2.03 -1.26 -4.96 116.55 108.42 1jkn n ASP 35 Ca 0.10 -0.05 -0.32 0.00 0.52 0.00 0.00 54.79 55.03 1jkn n ASP 35 Cb 0.36 0.57 -0.15 0.00 -0.72 0.00 0.00 41.12 41.19 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jkn s ILE 36 N -1.05 2.22 0.19 5.18 1.01 -1.26 -5.10 121.20 122.40 1jkn s ILE 36 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.79 1jkn s ILE 36 Cb 0.00 -2.27 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 1jkn s ILE 36 CO 0.00 0.02 1.50 -2.16 0.00 0.00 0.00 174.94 174.30 1jkn s PRO 37 N 1.13 4.24 0.00 2.79 0.04 -1.26 -1.88 135.00 140.06 1jkn s PRO 37 Ca -0.07 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.05 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.37 -1.88 -4.40 6.66 2.03 -1.26 -4.97 116.55 116.10 1jkn n ASP 38 Ca 0.11 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.98 1jkn n ASP 38 Cb 0.39 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jkn s ALA 39 N -2.63 3.38 0.19 -1.67 0.00 -0.79 -4.98 121.76 115.26 1jkn s ALA 39 Ca 0.00 -2.30 0.06 0.00 0.00 0.00 0.00 51.96 49.72 1jkn s ALA 39 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1jkn s ALA 39 CO 0.00 -2.54 0.12 -1.58 0.00 0.00 0.00 175.76 171.76 1jkn s TRP 40 N 2.83 3.06 0.16 0.00 0.52 -1.26 0.16 118.94 124.41 1jkn s TRP 40 Ca 0.17 -0.07 -0.23 0.00 0.02 0.00 0.00 56.10 55.99 1jkn s TRP 40 Cb -0.19 -1.44 0.08 0.00 -1.15 0.00 0.00 33.47 30.77 1jkn s TRP 40 CO 0.04 0.53 1.05 1.14 0.02 0.00 0.00 176.95 179.72 1jkn s GLN 41 N -3.29 1.19 0.25 4.98 -2.07 -0.05 -4.30 119.66 116.38 1jkn s GLN 41 Ca 0.31 -0.75 0.06 0.00 -1.82 0.00 0.00 55.36 53.16 1jkn s GLN 41 Cb -0.09 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1jkn s GLN 41 CO 0.23 -0.56 0.33 -1.64 -1.32 0.00 0.00 175.29 172.33 1jkn s MET 42 N -2.39 3.30 0.22 9.60 -1.94 -1.26 -1.26 119.30 125.57 1jkn s MET 42 Ca 0.20 -0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 53.04 1jkn s MET 42 Cb -0.02 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.92 1jkn s MET 42 CO 0.04 0.39 1.16 -1.25 -0.01 0.00 0.00 175.02 175.35 1jkn s PRO 43 N -3.97 4.55 0.06 2.03 0.04 -1.26 -4.99 135.00 131.47 1jkn s PRO 43 Ca 0.35 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1jkn s PRO 43 Cb -0.09 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.27 1jkn s PRO 43 CO 0.28 0.02 0.44 1.14 0.04 0.00 0.00 177.00 178.93 1jkn s GLN 44 N -0.71 0.98 0.07 4.56 -2.07 -1.26 -1.77 119.66 119.46 1jkn s GLN 44 Ca 0.49 -0.39 -0.25 0.00 -1.82 0.00 0.00 55.36 53.39 1jkn s GLN 44 Cb -0.32 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.10 1jkn s GLN 44 CO 0.39 -0.35 0.61 0.20 -1.32 0.00 0.00 175.29 174.81 1jkn s GLY 45 N -2.15 -0.56 0.14 2.60 0.00 -0.79 -4.87 107.32 101.68 1jkn s GLY 45 Ca -0.04 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 1jkn s GLY 45 CO -0.04 0.45 1.22 -0.32 0.00 0.00 0.00 173.10 174.40 1jkn s GLY 46 N -2.07 2.51 0.95 0.20 0.00 -1.26 0.18 107.32 107.83 1jkn s GLY 46 Ca -0.04 0.93 -0.10 0.00 0.00 0.00 0.00 44.72 45.51 1jkn s GLY 46 CO -0.03 1.97 1.13 -0.42 0.00 0.00 0.00 173.10 175.75 1jkn s ILE 47 N 0.44 2.03 0.23 0.90 1.01 -0.78 -4.83 121.20 120.19 1jkn s ILE 47 Ca 0.56 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1jkn s ILE 47 Cb -0.32 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.06 1jkn s ILE 47 CO 0.33 -0.01 0.57 -1.81 0.00 0.00 0.00 174.94 174.02 1jkn s ASP 48 N -2.63 6.67 -0.73 3.58 1.11 -1.26 -4.89 116.67 118.51 1jkn s ASP 48 Ca 0.67 0.98 -0.27 0.00 0.18 0.00 0.00 52.55 54.11 1jkn s ASP 48 Cb -0.23 -2.25 -0.15 0.00 1.07 0.00 0.00 42.92 41.36 1jkn s ASP 48 CO 0.59 -0.06 2.51 -1.84 1.18 0.00 0.00 175.17 177.54 1jkn n GLU 49 N -0.04 0.56 -1.91 8.23 0.00 -1.26 0.27 120.64 126.49 1jkn n GLU 49 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1jkn n GLU 49 Cb 0.52 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.35 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jkn n GLY 50 N 6.22 0.93 3.51 -1.84 0.00 -1.26 -5.08 105.19 107.68 1jkn n GLY 50 Ca 0.50 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1jkn n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkn s GLU 51 N -3.86 2.16 0.28 1.61 2.56 0.14 -5.11 118.70 116.49 1jkn s GLU 51 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 54.97 53.73 1jkn s GLU 51 Cb 0.00 -2.27 -0.10 0.00 2.00 0.00 0.00 34.13 33.76 1jkn s GLU 51 CO 0.00 0.54 1.10 0.34 -0.56 0.00 0.00 175.26 176.69 1jkn s ASP 52 N -1.64 7.25 0.14 -1.70 -1.08 -1.26 -4.71 116.67 113.67 1jkn s ASP 52 Ca 0.17 2.28 -0.22 0.00 -0.52 0.00 0.00 52.55 54.25 1jkn s ASP 52 Cb -0.11 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1jkn s ASP 52 CO 0.08 -0.15 1.65 -0.65 0.52 0.00 0.00 175.17 176.62 1jkn h PRO 53 N 3.79 -0.21 0.00 4.34 0.11 -1.96 0.66 132.00 138.73 1jkn h PRO 53 Ca -0.47 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.21 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jkn h PRO 53 CO 0.67 -0.14 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.15 1jkn h ARG 54 N -0.22 0.00 0.00 1.05 1.12 -1.93 -0.91 114.38 113.49 1jkn h ARG 54 Ca 0.11 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.90 1jkn h ARG 54 Cb 0.39 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 1jkn h ARG 54 CO -0.30 0.07 -0.47 -0.91 -3.11 0.00 0.00 179.97 175.25 1jkn h ASN 55 N 0.00 0.00 -0.34 -3.80 2.35 -1.54 -2.77 115.58 109.49 1jkn h ASN 55 Ca -0.00 -0.82 0.05 0.00 -0.55 0.00 0.00 56.30 54.98 1jkn h ASN 55 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1jkn h ASN 55 CO 0.01 1.18 0.23 0.00 -1.65 0.00 0.00 177.43 177.20 1jkn h ALA 56 N -0.18 2.01 0.08 -0.83 0.00 0.43 0.16 119.26 120.93 1jkn h ALA 56 Ca -0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jkn h ALA 56 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jkn h ALA 56 CO -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 1jkn h ALA 57 N 1.82 -0.11 -0.23 0.00 0.00 -1.28 0.86 119.26 120.33 1jkn h ALA 57 Ca 0.15 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1jkn h ALA 57 Cb 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jkn h ALA 57 CO -0.03 -0.25 0.19 0.82 0.00 0.00 0.00 179.25 179.98 1jkn h ILE 58 N -0.72 0.71 0.00 0.00 2.04 -1.12 0.44 117.51 118.86 1jkn h ILE 58 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1jkn h ILE 58 Cb 0.57 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1jkn h ILE 58 CO 0.02 0.00 -0.41 -0.09 0.00 0.00 0.00 178.15 177.67 1jkn h ARG 59 N 0.00 0.00 -0.67 2.37 2.43 -0.90 -3.35 114.38 114.26 1jkn h ARG 59 Ca 0.11 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.43 1jkn h ARG 59 Cb 0.48 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1jkn h ARG 59 CO -0.00 0.68 0.46 0.93 -1.51 0.00 0.00 179.97 180.53 1jkn h GLU 60 N -1.00 0.26 0.17 0.20 3.07 0.13 -2.28 114.58 115.14 1jkn h GLU 60 Ca -0.10 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1jkn h GLU 60 Cb 0.83 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1jkn h GLU 60 CO -0.06 0.17 -0.27 1.25 -1.40 0.00 0.00 179.01 178.70 1jkn h LEU 61 N 0.27 -0.76 -0.83 1.33 5.85 -0.28 0.35 115.31 121.24 1jkn h LEU 61 Ca 0.32 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1jkn h LEU 61 Cb 0.89 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1jkn h LEU 61 CO -0.07 -0.37 0.00 0.54 -0.34 0.00 0.00 178.44 178.19 1jkn n ARG 62 N -5.39 0.09 -0.02 1.25 1.74 -0.87 0.17 116.66 113.64 1jkn n ARG 62 Ca -0.07 0.55 -0.18 0.00 -0.77 0.00 0.00 57.85 57.37 1jkn n ARG 62 Cb 0.30 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jkn n GLU 63 N -1.97 0.72 0.03 5.56 1.02 0.43 0.13 120.64 126.55 1jkn n GLU 63 Ca -0.00 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.21 1jkn n GLU 63 Cb 0.05 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 1jkn n GLU 63 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jkn h GLU 64 N 0.05 0.22 0.00 3.49 4.39 0.43 -3.35 114.58 119.80 1jkn h GLU 64 Ca -0.42 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1jkn h GLU 64 Cb 2.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 1jkn h GLU 64 CO 0.07 1.04 -0.95 0.25 -1.16 0.00 0.00 179.01 178.26 1jkn n THR 65 N -3.39 0.00 -0.97 1.13 -2.24 0.13 -4.59 114.28 104.35 1jkn n THR 65 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1jkn n THR 65 Cb 1.05 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1jkn n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 66 N 2.54 0.77 3.63 3.38 0.00 -0.33 0.11 105.19 115.28 1jkn n GLY 66 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jkn n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkn s VAL 67 N -3.16 3.14 -0.12 1.61 1.01 -1.25 -4.49 120.40 117.14 1jkn s VAL 67 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jkn s VAL 67 Cb 0.00 -3.14 -0.24 0.00 0.00 0.00 0.00 36.38 32.99 1jkn s VAL 67 CO 0.00 -0.06 0.36 0.35 0.00 0.00 0.00 175.10 175.75 1jkn n THR 68 N 6.58 1.69 -2.91 3.92 -2.24 -1.26 -4.20 114.28 115.86 1jkn n THR 68 Ca 0.24 -0.69 -0.44 0.00 -2.27 0.00 0.00 64.05 60.88 1jkn n THR 68 Cb 0.43 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1jkn n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jkn n SER 69 N -3.31 5.23 -3.71 3.42 7.64 -1.26 -4.91 113.62 116.72 1jkn n SER 69 Ca -0.30 -3.00 -0.11 0.00 1.01 0.00 0.00 58.87 56.47 1jkn n SER 69 Cb 1.05 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.58 1jkn n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkn s ALA 70 N 1.28 -0.82 0.10 -0.43 0.00 -1.26 0.75 121.76 121.38 1jkn s ALA 70 Ca 0.42 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb -0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO -0.00 -0.25 -0.27 -1.21 0.00 0.00 0.00 175.76 174.03 1jkn s GLU 71 N 1.39 1.56 -0.09 0.00 2.02 -0.90 -4.89 118.70 117.78 1jkn s GLU 71 Ca -0.09 -1.25 -0.30 0.00 0.02 0.00 0.00 54.97 53.35 1jkn s GLU 71 Cb -0.09 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 1jkn s GLU 71 CO -0.11 0.47 1.08 0.08 0.02 0.00 0.00 175.26 176.81 1jkn s VAL 72 N -0.96 4.57 -0.03 2.63 1.01 -1.26 0.12 120.40 126.49 1jkn s VAL 72 Ca 0.13 1.86 0.14 0.00 0.00 0.00 0.00 61.98 64.12 1jkn s VAL 72 Cb -0.10 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.86 1jkn s VAL 72 CO 0.04 -0.01 0.32 -0.38 0.00 0.00 0.00 175.10 175.07 1jkn n ILE 73 N 4.62 0.00 -3.69 2.22 2.08 -0.79 -4.89 119.36 118.91 1jkn n ILE 73 Ca 0.10 -0.32 -0.11 0.00 0.56 0.00 0.00 62.75 62.98 1jkn n ILE 73 Cb 0.48 0.19 -0.06 0.00 -0.75 0.00 0.00 39.64 39.50 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jkn s ALA 74 N -2.98 -0.80 -0.18 -1.39 0.00 -1.24 -4.98 121.76 110.20 1jkn s ALA 74 Ca -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1jkn s ALA 74 Cb 0.09 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.84 1jkn s ALA 74 CO 0.59 -0.55 0.31 -1.83 0.00 0.00 0.00 175.76 174.28 1jkn s GLU 75 N -3.38 0.23 0.19 0.00 -1.05 -1.26 0.65 118.70 114.08 1jkn s GLU 75 Ca 0.01 0.69 -0.33 0.00 -0.15 0.00 0.00 54.97 55.19 1jkn s GLU 75 Cb 0.01 -0.20 -0.13 0.00 -0.44 0.00 0.00 34.13 33.37 1jkn s GLU 75 CO -0.09 -0.40 1.62 0.28 0.95 0.00 0.00 175.26 177.62 1jkn n VAL 76 N 5.36 0.16 0.32 1.83 0.31 -1.01 -4.87 118.33 120.43 1jkn n VAL 76 Ca -0.06 -0.04 0.15 0.00 -0.01 0.00 0.00 64.34 64.38 1jkn n VAL 76 Cb 0.50 -1.73 0.64 0.00 -0.91 0.00 0.00 33.84 32.34 1jkn n VAL 76 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jkn h PRO 77 N 6.00 0.00 -5.13 5.55 0.13 -1.98 -3.46 132.00 133.11 1jkn h PRO 77 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1jkn h PRO 77 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1jkn h PRO 77 CO 0.89 0.00 -0.53 1.52 -0.23 0.00 0.00 178.00 179.66 1jkn s TYR 78 N -3.56 1.86 0.01 1.56 -0.85 -1.26 -4.79 117.35 110.31 1jkn s TYR 78 Ca 0.02 -1.13 -0.00 0.00 -0.52 0.00 0.00 57.07 55.44 1jkn s TYR 78 Cb 0.09 -1.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.06 1jkn s TYR 78 CO 0.46 -0.08 0.09 -1.58 -1.52 0.00 0.00 175.55 172.92 1jkn s TRP 79 N -3.09 3.29 -0.24 -3.49 0.52 -1.26 -4.65 118.94 110.01 1jkn s TRP 79 Ca 0.20 0.20 -0.03 0.00 0.02 0.00 0.00 56.10 56.48 1jkn s TRP 79 Cb 0.03 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1jkn s TRP 79 CO 0.11 0.55 -0.04 -0.51 0.02 0.00 0.00 176.95 177.08 1jkn s LEU 80 N -1.83 3.08 -0.13 2.99 1.43 0.40 -1.32 118.68 123.30 1jkn s LEU 80 Ca 0.24 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1jkn s LEU 80 Cb -0.12 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1jkn s LEU 80 CO 0.15 -0.08 -0.08 0.42 0.23 0.00 0.00 176.35 176.99 1jkn s THR 81 N 1.41 3.54 0.17 5.49 -4.23 -1.26 -2.34 115.64 118.43 1jkn s THR 81 Ca 0.03 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1jkn s THR 81 Cb -0.15 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1jkn s THR 81 CO -0.04 0.52 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.81 1jkn s TYR 82 N 0.13 1.30 0.25 3.99 1.13 -1.22 -4.89 117.35 118.04 1jkn s TYR 82 Ca -0.03 -0.89 0.11 0.00 -1.41 0.00 0.00 57.07 54.84 1jkn s TYR 82 Cb -0.14 -0.72 -0.05 0.00 -1.10 0.00 0.00 41.96 39.95 1jkn s TYR 82 CO 0.04 -0.05 -0.14 -0.51 -2.51 0.00 0.00 175.55 172.38 1jkn s ASP 83 N -3.20 3.93 0.18 -0.18 1.01 -1.26 -2.30 116.67 114.86 1jkn s ASP 83 Ca 0.22 -0.83 0.09 0.00 0.71 0.00 0.00 52.55 52.74 1jkn s ASP 83 Cb 0.05 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1jkn s ASP 83 CO 0.03 0.05 -0.12 -0.36 0.21 0.00 0.00 175.17 174.98 1jkn s PHE 84 N -2.22 2.57 1.19 4.23 0.08 -1.24 -4.87 117.98 117.71 1jkn s PHE 84 Ca 0.28 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.94 1jkn s PHE 84 Cb -0.06 -1.26 0.28 0.00 -0.57 0.00 0.00 43.02 41.41 1jkn s PHE 84 CO 0.16 0.51 1.03 -1.25 -0.10 0.00 0.00 175.22 175.57 1jkn s PRO 85 N -2.81 -1.09 0.48 0.24 0.04 -1.26 -4.43 135.00 126.18 1jkn s PRO 85 Ca 0.24 0.54 0.33 0.00 0.04 0.00 0.00 61.00 62.15 1jkn s PRO 85 Cb -0.09 -1.56 1.61 0.00 0.04 0.00 0.00 34.50 34.51 1jkn s PRO 85 CO 0.14 -3.76 1.99 -1.00 0.04 0.00 0.00 177.00 174.41 1jkn h PRO 86 N -2.64 0.00 0.06 0.56 0.13 -2.00 0.46 132.00 128.58 1jkn h PRO 86 Ca -0.57 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.24 1jkn h PRO 86 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.48 0.00 -1.85 1.17 -0.23 0.00 0.00 178.00 177.56 1jkn n LYS 87 N -2.74 0.70 -0.06 0.86 4.81 -1.26 -2.93 118.16 117.53 1jkn n LYS 87 Ca -0.01 0.28 -0.15 0.00 -0.87 0.00 0.00 58.31 57.57 1jkn n LYS 87 Cb 0.15 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.32 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jkn h VAL 88 N 0.04 1.75 -0.38 3.15 2.07 -1.78 -1.86 116.25 119.23 1jkn h VAL 88 Ca -0.35 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 64.86 1jkn h VAL 88 Cb 2.03 3.34 -0.04 0.00 -1.52 0.00 0.00 31.29 35.09 1jkn h VAL 88 CO 0.09 0.60 0.14 -0.09 0.02 0.00 0.00 177.57 178.33 1jkn h ARG 89 N -0.96 0.29 0.00 1.57 1.12 -0.28 0.72 114.38 116.84 1jkn h ARG 89 Ca -0.02 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.77 1jkn h ARG 89 Cb 1.05 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.93 1jkn h ARG 89 CO -0.00 0.19 -0.28 1.49 -3.11 0.00 0.00 179.97 178.26 1jkn h GLU 90 N 0.30 0.00 0.07 0.20 4.22 -1.65 -1.60 114.58 116.11 1jkn h GLU 90 Ca 0.17 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.50 1jkn h GLU 90 Cb 0.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jkn h GLU 90 CO -0.17 0.28 -0.47 -0.22 -2.18 0.00 0.00 179.01 176.25 1jkn h LYS 91 N 0.00 0.20 -0.42 1.92 3.11 -0.24 -3.32 116.57 117.82 1jkn h LYS 91 Ca -0.00 -0.31 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1jkn h LYS 91 Cb 0.60 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 1jkn h LYS 91 CO 0.04 1.11 0.27 -0.07 -2.81 0.00 0.00 179.45 177.98 1jkn h LEU 92 N -0.54 0.49 -1.93 5.20 3.38 0.48 0.21 115.31 122.60 1jkn h LEU 92 Ca -0.08 -0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.28 1jkn h LEU 92 Cb 1.32 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1jkn h LEU 92 CO 0.09 0.38 1.03 0.78 0.09 0.00 0.00 178.44 180.81 1jkn h ASN 93 N 0.56 0.04 0.00 -0.43 -0.26 -1.40 1.63 115.58 115.71 1jkn h ASN 93 Ca 0.15 0.01 -0.35 0.00 -0.56 0.00 0.00 56.30 55.55 1jkn h ASN 93 Cb -0.03 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.18 1jkn h ASN 93 CO -0.03 -0.01 -1.97 -0.38 -1.06 0.00 0.00 177.43 173.98 1jkn n ILE 94 N -4.15 1.53 0.09 2.81 5.41 -0.63 -2.41 119.36 122.01 1jkn n ILE 94 Ca 0.32 -0.22 -0.13 0.00 1.00 0.00 0.00 62.75 63.72 1jkn n ILE 94 Cb 1.49 -1.97 -0.08 0.00 -0.71 0.00 0.00 39.64 38.37 1jkn n ILE 94 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jkn h GLN 95 N -1.00 -0.19 0.22 0.38 4.15 0.41 -3.28 115.11 115.79 1jkn h GLN 95 Ca -0.53 0.01 -0.32 0.00 0.77 0.00 0.00 58.65 58.58 1jkn h GLN 95 Cb 1.45 0.04 0.03 0.00 0.21 0.00 0.00 27.48 29.21 1jkn h GLN 95 CO -0.32 0.02 -1.48 -1.49 -1.93 0.00 0.00 178.83 173.62 1jkn h TRP 96 N -0.37 0.83 -0.29 3.99 4.06 0.21 -3.49 115.95 120.88 1jkn h TRP 96 Ca -0.02 -0.61 0.00 0.00 2.06 0.00 0.00 58.89 60.32 1jkn h TRP 96 Cb 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1jkn h TRP 96 CO -0.01 1.57 0.00 0.41 -3.56 0.00 0.00 178.44 176.85 1jkn n GLY 97 N 1.76 0.95 3.35 1.49 0.00 -0.21 -5.00 105.19 107.53 1jkn n GLY 97 Ca -0.19 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -2.66 2.80 -0.62 1.61 0.01 -1.23 -4.99 113.70 108.64 1jkn s SER 98 Ca 0.00 -0.90 0.06 0.00 1.31 0.00 0.00 55.95 56.42 1jkn s SER 98 Cb 0.00 -0.17 0.27 0.00 0.21 0.00 0.00 66.02 66.33 1jkn s SER 98 CO 0.00 -0.03 0.79 0.47 0.41 0.00 0.00 173.24 174.88 1jkn n ASP 99 N 0.12 3.82 -4.30 2.44 9.92 -1.26 -3.97 116.55 123.32 1jkn n ASP 99 Ca -0.12 -3.48 -0.24 0.00 -0.53 0.00 0.00 54.79 50.42 1jkn n ASP 99 Cb 0.58 -0.64 -0.12 0.00 -0.64 0.00 0.00 41.12 40.29 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1jkn s TRP 100 N -2.69 1.85 0.22 1.24 0.52 -1.26 -5.04 118.94 113.79 1jkn s TRP 100 Ca 0.42 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1jkn s TRP 100 Cb 0.18 -1.01 0.17 0.00 -1.15 0.00 0.00 33.47 31.66 1jkn s TRP 100 CO -0.04 0.23 1.50 0.87 0.02 0.00 0.00 176.95 179.52 1jkn h LYS 101 N 4.01 0.10 0.00 4.98 1.57 -1.81 -3.48 116.57 121.94 1jkn h LYS 101 Ca -0.47 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1jkn h LYS 101 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1jkn h LYS 101 CO 0.40 0.78 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1jkn n GLY 102 N 0.55 3.95 3.32 3.86 0.00 -1.25 -3.69 105.19 111.93 1jkn n GLY 102 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 1jkn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jkn s GLN 103 N 3.60 0.52 -0.51 1.61 -2.07 -0.97 -3.53 119.66 118.31 1jkn s GLN 103 Ca 0.00 1.13 -0.20 0.00 -1.82 0.00 0.00 55.36 54.47 1jkn s GLN 103 Cb 0.00 0.54 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 1jkn s GLN 103 CO 0.00 -0.42 0.68 0.00 -1.32 0.00 0.00 175.29 174.23 1jkn s ALA 104 N 2.81 3.35 0.15 2.60 0.00 -1.09 -3.43 121.76 126.14 1jkn s ALA 104 Ca 0.07 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.49 1jkn s ALA 104 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1jkn s ALA 104 CO -0.19 -2.05 -0.16 1.14 0.00 0.00 0.00 175.76 174.51 1jkn s GLN 105 N 2.86 1.16 -0.53 0.00 -2.07 -0.99 -3.19 119.66 116.90 1jkn s GLN 105 Ca 0.18 -1.35 -0.06 0.00 -1.82 0.00 0.00 55.36 52.31 1jkn s GLN 105 Cb -0.18 -1.10 0.14 0.00 -1.09 0.00 0.00 33.01 30.79 1jkn s GLN 105 CO 0.14 0.21 0.38 0.15 -1.32 0.00 0.00 175.29 174.85 1jkn s LYS 106 N -2.86 2.50 0.50 9.60 -0.14 -1.18 -0.45 119.74 127.70 1jkn s LYS 106 Ca 0.13 -2.07 -0.23 0.00 -1.36 0.00 0.00 55.97 52.45 1jkn s LYS 106 Cb -0.05 -3.84 -0.06 0.00 -1.68 0.00 0.00 37.83 32.20 1jkn s LYS 106 CO 0.05 -1.17 1.30 -1.58 -0.76 0.00 0.00 175.35 173.19 1jkn s TRP 107 N 0.79 2.52 -0.03 3.18 0.52 -1.26 -3.65 118.94 121.00 1jkn s TRP 107 Ca 0.11 1.41 0.04 0.00 0.02 0.00 0.00 56.10 57.68 1jkn s TRP 107 Cb -0.22 -3.68 -0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1jkn s TRP 107 CO -0.03 -2.43 -0.15 -0.06 0.02 0.00 0.00 176.95 174.30 1jkn s PHE 108 N -1.36 1.42 0.37 -1.98 0.40 0.14 -2.39 117.98 114.59 1jkn s PHE 108 Ca 0.67 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 56.41 1jkn s PHE 108 Cb -0.37 -0.95 -0.10 0.00 0.51 0.00 0.00 43.02 42.10 1jkn s PHE 108 CO 0.45 -0.10 0.95 -1.17 0.70 0.00 0.00 175.22 176.05 1jkn s LEU 109 N -0.06 4.15 -0.04 -0.37 2.96 0.21 0.11 118.68 125.64 1jkn s LEU 109 Ca -0.00 1.78 -0.01 0.00 -0.22 0.00 0.00 54.13 55.68 1jkn s LEU 109 Cb -0.09 -4.26 0.03 0.00 0.50 0.00 0.00 46.19 42.38 1jkn s LEU 109 CO 0.01 -0.22 0.06 -0.36 -1.32 0.00 0.00 176.35 174.52 1jkn s PHE 110 N -1.87 -0.01 -0.24 5.38 0.40 0.64 -1.88 117.98 120.40 1jkn s PHE 110 Ca 0.56 0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.94 1jkn s PHE 110 Cb -0.15 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 1jkn s PHE 110 CO 0.19 -0.14 0.59 0.21 0.70 0.00 0.00 175.22 176.77 1jkn s LYS 111 N 1.42 4.13 0.06 0.44 2.20 0.33 -0.43 119.74 127.89 1jkn s LYS 111 Ca -0.05 0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1jkn s LYS 111 Cb -0.12 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.49 1jkn s LYS 111 CO -0.04 -0.34 1.62 0.12 -0.36 0.00 0.00 175.35 176.36 1jkn s PHE 112 N 2.26 2.48 -0.25 4.03 5.36 -0.69 -2.11 117.98 129.06 1jkn s PHE 112 Ca 0.25 0.38 0.14 0.00 -0.96 0.00 0.00 56.93 56.74 1jkn s PHE 112 Cb -0.16 -3.93 0.47 0.00 -0.34 0.00 0.00 43.02 39.06 1jkn s PHE 112 CO 0.09 -3.70 1.17 0.25 -1.46 0.00 0.00 175.22 171.57 1jkn n THR 113 N 4.70 1.91 -1.09 0.12 -2.24 0.23 -4.78 114.28 113.13 1jkn n THR 113 Ca 0.15 -3.47 0.00 0.00 -2.27 0.00 0.00 64.05 58.47 1jkn n THR 113 Cb 0.41 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1jkn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 114 N -0.63 5.52 3.28 3.38 0.00 -1.19 -4.76 105.19 110.78 1jkn n GLY 114 Ca 0.27 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1jkn n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 115 N 3.36 1.12 0.40 1.61 -1.52 -1.26 -5.00 119.66 118.38 1jkn s GLN 115 Ca 0.00 -1.28 0.14 0.00 -1.95 0.00 0.00 55.36 52.27 1jkn s GLN 115 Cb 0.00 -1.13 0.78 0.00 -0.22 0.00 0.00 33.01 32.45 1jkn s GLN 115 CO 0.00 0.23 1.35 -0.44 -0.25 0.00 0.00 175.29 176.18 1jkn h ASP 116 N 3.52 0.00 1.89 5.90 3.32 -2.02 0.72 116.42 129.74 1jkn h ASP 116 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1jkn h ASP 116 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jkn h ASP 116 CO 0.49 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.57 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.20 -2.04 -3.18 115.11 117.65 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1jkn h GLN 117 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1jkn h GLN 117 CO 0.00 0.00 -0.49 1.49 -0.67 0.00 0.00 178.83 179.16 1jkn h GLU 118 N 0.00 0.00 -6.29 1.46 4.57 0.08 -3.42 114.58 110.98 1jkn h GLU 118 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1jkn h GLU 118 Cb 0.94 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.48 1jkn h GLU 118 CO 0.00 0.49 1.17 0.42 -1.18 0.00 0.00 179.01 179.91 1jkn s ILE 119 N -3.05 3.66 -0.50 2.32 1.01 -1.20 -3.85 121.20 119.58 1jkn s ILE 119 Ca 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 1jkn s ILE 119 Cb 0.08 -4.34 0.13 0.00 0.01 0.00 0.00 42.46 38.34 1jkn s ILE 119 CO 0.74 -1.16 0.29 0.21 0.00 0.00 0.00 174.94 175.02 1jkn s ASN 120 N 5.29 5.15 0.59 3.58 2.47 0.30 -4.94 114.94 127.37 1jkn s ASN 120 Ca 0.55 -2.44 0.29 0.00 0.42 0.00 0.00 52.86 51.69 1jkn s ASN 120 Cb -0.12 -1.81 1.40 0.00 -1.45 0.00 0.00 41.25 39.27 1jkn s ASN 120 CO 0.23 -0.44 1.79 -0.07 -3.72 0.00 0.00 177.10 174.89 1jkn h LEU 121 N 7.51 0.00 0.63 3.21 3.38 -1.81 -0.59 115.31 127.64 1jkn h LEU 121 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jkn h LEU 121 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1jkn h LEU 121 CO 0.69 0.00 -0.30 -0.07 0.09 0.00 0.00 178.44 178.85 1jkn h LEU 122 N 0.00 -0.72 0.00 1.67 3.38 -1.83 -3.37 115.31 114.45 1jkn h LEU 122 Ca 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1jkn h LEU 122 Cb 1.60 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1jkn h LEU 122 CO -0.00 -0.40 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1jkn n GLY 123 N -0.96 0.18 2.03 0.83 0.00 -0.23 -3.86 105.19 103.18 1jkn n GLY 123 Ca -0.12 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1jkn n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkn n ASP 124 N 3.00 6.55 -1.11 1.61 5.75 0.34 -4.65 116.55 128.04 1jkn n ASP 124 Ca 0.00 -3.31 -0.11 0.00 -0.01 0.00 0.00 54.79 51.37 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 0.00 -1.03 0.00 0.00 41.12 39.08 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkn n GLY 125 N -0.18 0.25 0.77 6.12 0.00 -1.26 -4.92 105.19 105.97 1jkn n GLY 125 Ca 0.42 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jkn n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 126 N 0.05 0.24 -4.95 1.61 7.64 -1.26 -5.08 113.62 111.86 1jkn n SER 126 Ca -0.12 0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.56 1jkn n SER 126 Cb 0.53 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jkn s GLU 127 N -1.22 3.01 0.52 1.43 2.02 -1.26 -5.09 118.70 118.10 1jkn s GLU 127 Ca -0.01 -0.51 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 1jkn s GLU 127 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 1jkn s GLU 127 CO 0.02 -0.32 1.00 0.15 0.02 0.00 0.00 175.26 176.12 1jkn s LYS 128 N -4.59 3.87 1.00 1.61 1.02 -1.26 -4.62 119.74 116.76 1jkn s LYS 128 Ca 0.49 1.03 -0.17 0.00 0.02 0.00 0.00 55.97 57.34 1jkn s LYS 128 Cb -0.10 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1jkn s LYS 128 CO 0.38 -0.34 -0.35 -2.30 -0.92 0.00 0.00 175.35 171.82 1jkn n PRO 129 N -1.54 -0.32 0.00 -1.68 -0.02 -1.25 -4.90 135.00 125.29 1jkn n PRO 129 Ca 0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1jkn n PRO 129 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1jkn n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkn n GLU 130 N 0.35 0.00 -4.13 -0.52 1.02 -1.26 -5.03 120.64 111.07 1jkn n GLU 130 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 1jkn n GLU 130 Cb 0.58 -0.14 -0.05 0.00 -0.02 0.00 0.00 31.44 31.82 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jkn s PHE 131 N -1.44 3.08 -0.01 -0.32 0.08 -1.26 -1.60 117.98 116.51 1jkn s PHE 131 Ca 0.00 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.98 1jkn s PHE 131 Cb 0.00 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1jkn s PHE 131 CO 0.00 0.53 0.07 0.41 -0.10 0.00 0.00 175.22 176.13 1jkn n GLY 132 N -1.01 -0.15 3.61 4.36 0.00 -0.59 -4.66 105.19 106.75 1jkn n GLY 132 Ca -0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -2.23 1.81 0.08 1.61 0.41 -1.25 -4.99 118.70 114.14 1jkn s GLU 133 Ca -0.01 -1.45 -0.25 0.00 -0.41 0.00 0.00 54.97 52.85 1jkn s GLU 133 Cb 0.02 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.14 -0.78 0.60 1.67 -0.49 0.00 0.00 175.26 176.40 1jkn s TRP 134 N -3.36 -0.54 0.18 1.61 1.48 -1.26 0.81 118.94 117.85 1jkn s TRP 134 Ca 0.23 0.57 -0.15 0.00 -1.06 0.00 0.00 56.10 55.70 1jkn s TRP 134 Cb -0.02 0.47 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1jkn s TRP 134 CO 0.13 -0.74 0.43 0.45 -4.06 0.00 0.00 176.95 173.17 1jkn s SER 135 N -2.16 -0.16 -0.21 -2.66 0.15 0.20 -4.96 113.70 103.90 1jkn s SER 135 Ca -0.03 -0.58 -0.16 0.00 0.70 0.00 0.00 55.95 55.88 1jkn s SER 135 Cb -0.01 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1jkn s SER 135 CO -0.04 -0.98 0.40 0.26 1.20 0.00 0.00 173.24 174.07 1jkn s TRP 136 N -3.89 3.37 0.04 3.44 0.52 -1.26 -1.42 118.94 119.73 1jkn s TRP 136 Ca 0.11 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1jkn s TRP 136 Cb 0.01 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.77 1jkn s TRP 136 CO -0.03 -0.02 -0.05 0.14 0.02 0.00 0.00 176.95 177.00 1jkn s VAL 137 N 1.36 0.32 0.77 4.03 -7.23 -1.17 -4.88 120.40 113.59 1jkn s VAL 137 Ca 0.19 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 1jkn s VAL 137 Cb -0.15 -0.59 0.05 0.00 0.56 0.00 0.00 36.38 36.25 1jkn s VAL 137 CO 0.08 -0.52 1.09 0.42 -0.31 0.00 0.00 175.10 175.86 1jkn s THR 138 N -1.78 3.38 0.34 5.32 -4.23 -1.26 0.71 115.64 118.13 1jkn s THR 138 Ca -0.10 0.45 0.30 0.00 -1.18 0.00 0.00 61.69 61.16 1jkn s THR 138 Cb -0.07 -2.95 0.30 0.00 1.34 0.00 0.00 72.50 71.11 1jkn s THR 138 CO -0.01 -0.58 1.92 1.55 -0.54 0.00 0.00 174.62 176.95 1jkn h PRO 139 N -1.09 0.00 0.05 3.99 0.13 -1.96 0.15 132.00 133.27 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1jkn h PRO 139 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.52 0.00 -1.88 0.39 -0.23 0.00 0.00 178.00 176.80 1jkn n GLU 140 N -2.66 0.69 -0.01 0.86 4.71 -1.26 -3.52 120.64 119.44 1jkn n GLU 140 Ca -0.02 0.27 -0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1jkn n GLU 140 Cb 0.17 -1.74 -0.10 0.00 -1.01 0.00 0.00 31.44 28.76 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1jkn h GLN 141 N 0.03 -0.04 -0.50 3.49 1.08 -1.17 -2.86 115.11 115.14 1jkn h GLN 141 Ca -0.36 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.03 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.45 1jkn h GLN 141 CO 0.08 0.53 0.39 1.25 -0.95 0.00 0.00 178.83 180.13 1jkn h LEU 142 N -0.65 0.00 -1.12 1.46 5.85 -1.04 1.04 115.31 120.84 1jkn h LEU 142 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1jkn h LEU 142 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1jkn h LEU 142 CO 0.01 0.00 -0.41 0.40 -0.34 0.00 0.00 178.44 178.09 1jkn h ILE 143 N 0.00 1.17 0.00 4.05 1.08 -1.57 0.18 117.51 122.42 1jkn h ILE 143 Ca 0.24 -1.47 -0.00 0.00 -0.39 0.00 0.00 64.86 63.23 1jkn h ILE 143 Cb 1.02 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.59 1jkn h ILE 143 CO -0.00 0.40 -0.03 0.44 -0.69 0.00 0.00 178.15 178.27 1jkn h ASP 144 N 0.00 0.00 0.22 1.72 3.32 0.13 -3.26 116.42 118.56 1jkn h ASP 144 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1jkn h ASP 144 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1jkn h ASP 144 CO 0.05 0.00 -1.77 -0.07 -1.72 0.00 0.00 179.24 175.74 1jkn h LEU 145 N 0.00 0.53-10.21 1.55 3.38 -0.69 -3.47 115.31 106.40 1jkn h LEU 145 Ca -0.00 -0.86 -0.47 0.00 0.09 0.00 0.00 57.88 56.65 1jkn h LEU 145 Cb 1.00 -0.17 0.20 0.00 0.09 0.00 0.00 40.66 41.78 1jkn h LEU 145 CO 0.00 1.73 0.11 -0.89 0.09 0.00 0.00 178.44 179.48 1jkn s THR 146 N -2.58 2.12 0.30 0.22 2.01 -0.01 -4.36 115.64 113.33 1jkn s THR 146 Ca -0.16 0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1jkn s THR 146 Cb 0.06 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1jkn s THR 146 CO 0.84 -0.05 0.45 0.54 -0.69 0.00 0.00 174.62 175.70 1jkn s VAL 147 N -2.59 4.86 0.46 3.82 0.11 -1.26 -4.80 120.40 120.99 1jkn s VAL 147 Ca 0.67 -0.85 0.21 0.00 -2.93 0.00 0.00 61.98 59.08 1jkn s VAL 147 Cb -0.23 -3.73 0.40 0.00 -1.53 0.00 0.00 36.38 31.29 1jkn s VAL 147 CO 0.62 -0.33 1.88 -0.33 -3.33 0.00 0.00 175.10 173.60 1jkn h GLU 148 N 0.97 0.27 -0.62 1.54 3.07 -1.96 0.87 114.58 118.72 1jkn h GLU 148 Ca -0.50 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1jkn h GLU 148 Cb 1.24 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1jkn h GLU 148 CO 0.59 0.18 0.00 1.97 -1.40 0.00 0.00 179.01 180.35 1jkn n PHE 149 N -4.44 0.54 0.00 4.33 1.16 -1.26 -3.87 117.46 113.91 1jkn n PHE 149 Ca 0.18 -0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1jkn n PHE 149 Cb 0.73 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 1jkn n PHE 149 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1jkn n LYS 150 N 0.21 1.87 -0.22 3.97 5.02 0.70 -4.56 118.16 125.15 1jkn n LYS 150 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1jkn n LYS 150 Cb 0.42 -0.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.94 1jkn n LYS 150 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jkn h LYS 151 N 0.00 -0.19 -0.58 1.97 1.57 0.47 0.41 116.57 120.22 1jkn h LYS 151 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jkn h LYS 151 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jkn h LYS 151 CO 0.00 -0.12 0.37 -1.00 -0.57 0.00 0.00 179.45 178.13 1jkn h PRO 152 N -0.19 0.73 0.00 3.15 0.13 -1.85 0.63 132.00 134.60 1jkn h PRO 152 Ca 0.09 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1jkn h PRO 152 Cb 0.43 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 1jkn h PRO 152 CO -0.62 0.48 -0.00 0.28 -0.23 0.00 0.00 178.00 177.91 1jkn h VAL 153 N 0.75 0.50 0.00 1.56 2.07 -1.51 -1.52 116.25 118.10 1jkn h VAL 153 Ca 0.22 -0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.51 1jkn h VAL 153 Cb -0.04 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1jkn h VAL 153 CO -0.07 0.00 -1.31 -1.22 0.02 0.00 0.00 177.57 174.99 1jkn n TYR 154 N -3.81 0.92 -0.33 1.57 4.02 0.13 -3.75 117.16 115.92 1jkn n TYR 154 Ca -0.03 0.40 0.22 0.00 -0.01 0.00 0.00 57.90 58.48 1jkn n TYR 154 Cb 0.08 -1.06 0.50 0.00 -0.02 0.00 0.00 39.34 38.84 1jkn n TYR 154 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jkn h LYS 155 N -1.00 0.39 -0.32 -0.72 3.64 0.46 0.52 116.57 119.54 1jkn h LYS 155 Ca -0.35 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1jkn h LYS 155 Cb 1.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jkn h LYS 155 CO -0.21 0.26 0.06 1.49 -2.27 0.00 0.00 179.45 178.78 1jkn h GLU 156 N 0.40 0.52 -0.72 1.90 4.57 -1.45 0.73 114.58 120.54 1jkn h GLU 156 Ca 0.60 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.67 1jkn h GLU 156 Cb 1.49 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.98 1jkn h GLU 156 CO -0.31 0.60 0.46 0.28 -1.18 0.00 0.00 179.01 178.86 1jkn h VAL 157 N 0.36 1.11 -0.03 0.32 2.07 -0.16 0.11 116.25 120.03 1jkn h VAL 157 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1jkn h VAL 157 Cb 0.32 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1jkn h VAL 157 CO 0.00 0.16 -0.02 -0.07 0.02 0.00 0.00 177.57 177.66 1jkn h LEU 158 N 0.90 0.08 -0.65 2.57 3.38 -0.69 -2.09 115.31 118.80 1jkn h LEU 158 Ca 0.29 -0.45 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1jkn h LEU 158 Cb 0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1jkn h LEU 158 CO -0.10 0.52 0.11 -1.28 0.09 0.00 0.00 178.44 177.78 1jkn h SER 159 N -0.36 -0.06 0.57 -0.43 0.87 0.89 1.85 113.55 116.88 1jkn h SER 159 Ca 0.01 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1jkn h SER 159 Cb 0.49 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1jkn h SER 159 CO 0.01 -0.04 -0.18 0.58 -0.53 0.00 0.00 176.83 176.67 1jkn h VAL 160 N 0.23 0.62 -0.18 2.23 2.07 -0.75 -2.49 116.25 117.98 1jkn h VAL 160 Ca 0.35 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jkn h VAL 160 Cb 0.56 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1jkn h VAL 160 CO -0.47 0.18 0.00 0.49 0.02 0.00 0.00 177.57 177.79 1jkn n PHE 161 N -3.58 0.21 0.04 1.57 3.72 0.19 -4.60 117.46 115.01 1jkn n PHE 161 Ca -0.01 -0.12 -0.12 0.00 -0.05 0.00 0.00 57.45 57.15 1jkn n PHE 161 Cb 0.32 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.81 1jkn n PHE 161 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkn h ALA 162 N 4.11 -0.52 -0.06 4.37 0.00 0.30 -0.13 119.26 127.32 1jkn h ALA 162 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jkn h ALA 162 Cb 0.90 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jkn h ALA 162 CO 0.00 -0.87 0.27 -1.00 0.00 0.00 0.00 179.25 177.65 1jkn h PRO 163 N -0.49 0.00 0.00 0.00 0.13 -1.81 0.34 132.00 130.17 1jkn h PRO 163 Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1jkn h PRO 163 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1jkn h PRO 163 CO -0.32 0.00 -0.96 0.45 -0.23 0.00 0.00 178.00 176.94 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.37 -3.54 115.15 115.66 1jkn h HIS 164 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jkn h HIS 164 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1jkn h HIS 164 CO 0.00 0.00 0.00 1.47 0.86 0.00 0.00 177.93 180.26