#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn n PRO 2 N 0.00 -2.87 -1.75 1.61 -0.04 -1.26 -4.82 135.00 125.87 1jkn n PRO 2 Ca 0.00 -1.52 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 1jkn n PRO 2 Cb 0.00 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 31.96 1jkn n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jkn s LEU 3 N 0.00 2.83 -0.45 1.53 1.98 -1.26 -4.72 118.68 118.59 1jkn s LEU 3 Ca 0.62 -0.60 0.04 0.00 -2.89 0.00 0.00 54.13 51.30 1jkn s LEU 3 Cb -0.06 -2.57 0.62 0.00 0.66 0.00 0.00 46.19 44.84 1jkn s LEU 3 CO 0.47 -3.75 1.86 0.61 -1.89 0.00 0.00 176.35 173.65 1jkn n GLY 4 N 6.53 4.73 0.00 7.98 0.00 -1.26 -4.40 105.19 118.77 1jkn n GLY 4 Ca 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.12 0.00 0.00 1.61 3.41 -1.26 -4.88 113.62 111.39 1jkn n SER 5 Ca 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1jkn n SER 5 Cb 1.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 1jkn n SER 5 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1jkn n MET 6 N 0.00 2.40 -1.15 4.33 1.56 -0.96 -4.95 117.12 118.35 1jkn n MET 6 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.38 1jkn n MET 6 Cb 0.00 -0.88 -0.02 0.00 2.15 0.00 0.00 33.22 34.47 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1jkn n ASP 7 N -1.78 -3.69 0.00 6.12 8.00 -1.26 -4.87 116.55 119.07 1jkn n ASP 7 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1jkn n ASP 7 Cb 0.38 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 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 1.00 0.00 -4.63 -2.24 2.88 -1.26 -4.86 113.62 104.51 1jkn n SER 8 Ca -0.05 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.06 1jkn n SER 8 Cb 0.18 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 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 -1.24 3.77 0.77 -1.46 0.04 -1.26 -4.78 135.00 130.84 1jkn s PRO 9 Ca 0.00 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1jkn s PRO 9 Cb 0.00 -4.07 0.19 0.00 0.04 0.00 0.00 34.50 30.66 1jkn s PRO 9 CO 0.00 -1.33 0.72 -2.30 0.04 0.00 0.00 177.00 174.13 1jkn n PRO 10 N 7.73 -2.18 -3.37 0.56 -0.02 -1.26 -5.04 135.00 131.42 1jkn n PRO 10 Ca 0.20 -1.15 -0.31 0.00 -2.02 0.00 0.00 63.50 60.22 1jkn n PRO 10 Cb 0.45 -1.03 -0.05 0.00 -0.02 0.00 0.00 33.50 32.86 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1jkn s GLU 11 N -4.62 3.76 0.00 -0.52 -1.05 -1.26 -4.23 118.70 110.78 1jkn s GLU 11 Ca 0.46 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 1jkn s GLU 11 Cb -0.04 -2.63 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1jkn s GLU 11 CO 0.35 0.27 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1jkn n GLY 12 N -0.37 2.16 3.73 -3.83 0.00 -1.26 -4.99 105.19 100.62 1jkn n GLY 12 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.69 3.67 0.36 1.61 1.51 -1.26 -3.93 117.35 118.62 1jkn s TYR 13 Ca 0.00 1.49 -0.26 0.00 -1.01 0.00 0.00 57.07 57.29 1jkn s TYR 13 Cb 0.00 -2.91 -0.09 0.00 -0.11 0.00 0.00 41.96 38.85 1jkn s TYR 13 CO 0.00 0.14 1.09 -0.98 -1.11 0.00 0.00 175.55 174.69 1jkn s ARG 14 N 0.49 4.30 0.20 -0.62 1.70 -1.24 -4.59 118.95 119.19 1jkn s ARG 14 Ca 0.42 1.69 -0.30 0.00 -0.47 0.00 0.00 55.73 57.07 1jkn s ARG 14 Cb -0.20 -2.79 -0.09 0.00 -0.57 0.00 0.00 34.95 31.30 1jkn s ARG 14 CO 0.23 -0.06 1.42 1.03 -1.08 0.00 0.00 175.30 176.83 1jkn s ARG 15 N -2.09 4.30 0.06 3.89 0.52 -1.26 -3.13 118.95 121.24 1jkn s ARG 15 Ca 0.53 2.20 -0.17 0.00 -0.52 0.00 0.00 55.73 57.78 1jkn s ARG 15 Cb -0.27 -3.16 0.03 0.00 0.52 0.00 0.00 34.95 32.06 1jkn s ARG 15 CO 0.35 -0.41 0.39 1.21 0.02 0.00 0.00 175.30 176.86 1jkn s ASN 16 N 0.61 -0.24 -0.08 0.23 3.84 -1.22 -1.39 114.94 116.69 1jkn s ASN 16 Ca 0.61 -0.11 0.03 0.00 0.21 0.00 0.00 52.86 53.60 1jkn s ASN 16 Cb -0.40 0.42 0.01 0.00 -0.55 0.00 0.00 41.25 40.73 1jkn s ASN 16 CO 0.38 -0.70 -0.19 0.68 -2.79 0.00 0.00 177.10 174.48 1jkn s VAL 17 N -2.79 1.65 0.01 -5.21 -7.23 0.54 -2.71 120.40 104.65 1jkn s VAL 17 Ca -0.03 -0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1jkn s VAL 17 Cb -0.00 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1jkn s VAL 17 CO -0.05 0.47 0.22 -0.83 -0.31 0.00 0.00 175.10 174.60 1jkn s GLY 18 N 0.48 2.20 -0.31 2.32 0.00 -1.17 -1.92 107.32 108.93 1jkn s GLY 18 Ca -0.17 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1jkn s GLY 18 CO 0.07 -0.60 0.04 -0.42 0.00 0.00 0.00 173.10 172.19 1jkn s ILE 19 N -1.36 1.73 -0.61 0.90 1.09 -0.42 -0.68 121.20 121.85 1jkn s ILE 19 Ca 0.29 -1.85 -0.22 0.00 -1.10 0.00 0.00 60.65 57.77 1jkn s ILE 19 Cb -0.13 -2.22 0.07 0.00 -1.06 0.00 0.00 42.46 39.12 1jkn s ILE 19 CO 0.19 -0.52 0.88 0.00 -0.10 0.00 0.00 174.94 175.39 1jkn s LEU 21 N 3.65 4.04 0.17 0.00 2.96 -1.26 0.16 118.68 128.40 1jkn s LEU 21 Ca 0.21 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1jkn s LEU 21 Cb -0.17 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1jkn s LEU 21 CO 0.11 0.32 -0.15 0.00 -1.32 0.00 0.00 176.35 175.31 1jkn s MET 22 N -1.45 1.24 0.42 1.98 0.23 0.00 0.80 119.30 122.53 1jkn s MET 22 Ca 0.20 -1.46 0.08 0.00 -1.03 0.00 0.00 55.69 53.48 1jkn s MET 22 Cb -0.12 -1.12 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 1jkn s MET 22 CO 0.10 0.20 0.55 0.54 -2.03 0.00 0.00 175.02 174.39 1jkn s ASN 23 N -2.93 5.59 0.45 -1.18 4.22 -0.63 -1.75 114.94 118.72 1jkn s ASN 23 Ca 0.17 -0.46 0.24 0.00 -2.14 0.00 0.00 52.86 50.68 1jkn s ASN 23 Cb -0.03 -0.65 1.33 0.00 1.28 0.00 0.00 41.25 43.19 1jkn s ASN 23 CO 0.06 -0.75 1.72 0.78 -2.04 0.00 0.00 177.10 176.86 1jkn h ASN 24 N 0.68 0.00 -0.02 3.54 2.35 -1.92 0.46 115.58 120.68 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jkn h ASN 24 CO 0.46 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.71 1jkn n ASP 25 N -2.45 1.35 -0.30 5.81 8.00 -1.26 -4.91 116.55 122.79 1jkn n ASP 25 Ca -0.02 -1.46 -0.03 0.00 0.71 0.00 0.00 54.79 54.00 1jkn n ASP 25 Cb 0.19 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jkn n LYS 26 N 0.06 -0.22 -2.96 -1.24 5.02 0.16 -5.05 118.16 113.93 1jkn n LYS 26 Ca 0.19 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.59 1jkn n LYS 26 Cb 0.33 -3.94 0.03 0.00 -0.02 0.00 0.00 35.03 31.43 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 -3.52 2.57 -0.20 1.97 1.02 -1.24 -4.79 119.74 115.53 1jkn s LYS 27 Ca 0.00 -1.32 -0.04 0.00 0.02 0.00 0.00 55.97 54.63 1jkn s LYS 27 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1jkn s LYS 27 CO 0.00 -0.57 -0.04 0.42 -0.92 0.00 0.00 175.35 174.23 1jkn s ILE 28 N -2.54 3.50 -0.26 2.17 1.09 0.23 -1.60 121.20 123.79 1jkn s ILE 28 Ca 0.58 -0.46 -0.31 0.00 -1.10 0.00 0.00 60.65 59.36 1jkn s ILE 28 Cb -0.08 -2.57 -0.08 0.00 -1.06 0.00 0.00 42.46 38.67 1jkn s ILE 28 CO 0.36 0.44 2.21 0.33 -0.10 0.00 0.00 174.94 178.18 1jkn n PHE 29 N 4.43 1.83 -4.97 3.97 7.35 0.24 -2.92 117.46 127.40 1jkn n PHE 29 Ca -0.18 0.02 -0.32 0.00 -0.76 0.00 0.00 57.45 56.21 1jkn n PHE 29 Cb 0.51 -2.65 -0.16 0.00 0.35 0.00 0.00 39.48 37.53 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jkn s ALA 30 N 7.88 2.41 -0.05 3.13 0.00 -0.44 -4.63 121.76 130.05 1jkn s ALA 30 Ca 1.04 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1jkn s ALA 30 Cb -0.54 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1jkn s ALA 30 CO 0.41 0.26 -0.20 0.00 0.00 0.00 0.00 175.76 176.23 1jkn s ALA 31 N 0.36 2.40 0.53 0.00 0.00 -0.47 0.80 121.76 125.38 1jkn s ALA 31 Ca -0.14 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 1jkn s ALA 31 Cb -0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1jkn s ALA 31 CO 0.07 0.48 0.92 -1.54 0.00 0.00 0.00 175.76 175.69 1jkn s SER 32 N -0.42 6.39 0.72 0.00 1.04 0.55 -0.55 113.70 121.42 1jkn s SER 32 Ca 0.04 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1jkn s SER 32 Cb -0.12 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO 0.02 -0.65 1.07 -0.13 0.98 0.00 0.00 173.24 174.53 1jkn s ARG 33 N -4.56 2.71 0.00 4.02 0.52 0.41 -2.28 118.95 119.77 1jkn s ARG 33 Ca 0.54 1.06 0.25 0.00 -0.52 0.00 0.00 55.73 57.06 1jkn s ARG 33 Cb -0.10 -1.96 0.49 0.00 0.52 0.00 0.00 34.95 33.90 1jkn s ARG 33 CO 0.42 -1.28 1.40 1.28 0.02 0.00 0.00 175.30 177.14 1jkn n LEU 34 N -3.18 1.23 0.00 2.53 4.77 -0.97 -4.06 117.00 117.33 1jkn n LEU 34 Ca 0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1jkn n LEU 34 Cb 0.53 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jkn n LEU 34 CO 0.54 0.24 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.02 1jkn n ASP 35 N -0.61 1.45 -4.09 -1.43 2.03 -1.26 -4.97 116.55 107.67 1jkn n ASP 35 Ca 0.10 -0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 1jkn n ASP 35 Cb 0.38 0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.72 2.20 0.19 5.18 1.01 -1.26 -5.10 121.20 122.71 1jkn s ILE 36 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 60.65 58.86 1jkn s ILE 36 Cb 0.00 -2.23 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1jkn s ILE 36 CO 0.00 0.08 1.50 -2.16 0.00 0.00 0.00 174.94 174.36 1jkn s PRO 37 N 1.15 4.25 0.00 2.79 0.04 -1.26 -1.91 135.00 140.05 1jkn s PRO 37 Ca -0.06 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.06 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.37 -1.22 -4.44 6.66 -0.08 -1.26 -4.96 116.55 114.62 1jkn n ASP 38 Ca 0.11 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.95 1jkn n ASP 38 Cb 0.40 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jkn s ALA 39 N -2.94 3.23 0.19 -1.67 0.00 -0.80 -4.98 121.76 114.79 1jkn s ALA 39 Ca 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 51.96 49.87 1jkn s ALA 39 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1jkn s ALA 39 CO 0.00 -2.75 0.19 -1.58 0.00 0.00 0.00 175.76 171.62 1jkn s TRP 40 N 3.47 3.20 0.11 0.00 0.52 -1.26 0.15 118.94 125.13 1jkn s TRP 40 Ca 0.23 -0.03 -0.26 0.00 0.02 0.00 0.00 56.10 56.06 1jkn s TRP 40 Cb -0.15 -1.51 0.08 0.00 -1.15 0.00 0.00 33.47 30.74 1jkn s TRP 40 CO 0.05 0.51 1.04 1.14 0.02 0.00 0.00 176.95 179.71 1jkn s GLN 41 N -3.38 0.99 0.27 4.98 -2.07 0.28 -4.50 119.66 116.23 1jkn s GLN 41 Ca 0.32 -0.54 -0.02 0.00 -1.82 0.00 0.00 55.36 53.30 1jkn s GLN 41 Cb -0.09 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1jkn s GLN 41 CO 0.25 -0.45 0.50 -1.64 -1.32 0.00 0.00 175.29 172.63 1jkn s MET 42 N -3.07 3.56 0.23 9.60 -1.94 -1.26 -1.36 119.30 125.06 1jkn s MET 42 Ca 0.12 -0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 53.62 1jkn s MET 42 Cb 0.00 -2.71 -0.10 0.00 2.01 0.00 0.00 34.83 34.03 1jkn s MET 42 CO 0.00 0.26 1.45 -1.25 -0.01 0.00 0.00 175.02 175.47 1jkn s PRO 43 N -3.65 4.26 0.17 2.03 0.04 -1.26 -4.93 135.00 131.67 1jkn s PRO 43 Ca 0.41 2.29 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1jkn s PRO 43 Cb -0.11 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.34 1jkn s PRO 43 CO 0.31 -0.44 0.46 1.14 0.04 0.00 0.00 177.00 178.51 1jkn s GLN 44 N -0.10 1.27 -0.24 4.56 1.03 -1.26 -1.30 119.66 123.62 1jkn s GLN 44 Ca 0.61 -0.86 -0.26 0.00 0.04 0.00 0.00 55.36 54.88 1jkn s GLN 44 Cb -0.42 0.49 0.12 0.00 0.03 0.00 0.00 33.01 33.23 1jkn s GLN 44 CO 0.41 -0.52 0.99 0.20 -2.54 0.00 0.00 175.29 173.83 1jkn s GLY 45 N -2.87 -0.22 0.30 2.60 0.00 -0.81 -4.90 107.32 101.43 1jkn s GLY 45 Ca 0.09 2.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.95 1jkn s GLY 45 CO -0.05 1.61 1.57 -0.32 0.00 0.00 0.00 173.10 175.91 1jkn s GLY 46 N -0.13 2.21 0.82 0.20 0.00 -1.26 -0.34 107.32 108.81 1jkn s GLY 46 Ca 0.01 1.56 -0.10 0.00 0.00 0.00 0.00 44.72 46.19 1jkn s GLY 46 CO -0.03 2.51 1.11 -0.42 0.00 0.00 0.00 173.10 176.26 1jkn s ILE 47 N -0.11 2.91 0.23 0.90 1.01 -0.49 -4.80 121.20 120.85 1jkn s ILE 47 Ca 0.62 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 61.46 1jkn s ILE 47 Cb -0.47 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 1jkn s ILE 47 CO 0.49 -0.39 0.57 -1.81 0.00 0.00 0.00 174.94 173.81 1jkn s ASP 48 N -3.17 6.67 -0.74 3.58 1.11 -1.26 -4.88 116.67 117.98 1jkn s ASP 48 Ca 0.63 0.98 -0.28 0.00 0.18 0.00 0.00 52.55 54.07 1jkn s ASP 48 Cb -0.19 -2.25 -0.15 0.00 1.07 0.00 0.00 42.92 41.40 1jkn s ASP 48 CO 0.57 -0.07 2.53 -0.62 1.18 0.00 0.00 175.17 178.76 1jkn n GLU 49 N -0.04 0.54 -2.30 8.23 1.02 -1.26 0.34 120.64 127.17 1jkn n GLU 49 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1jkn n GLU 49 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jkn n GLY 50 N 6.23 0.96 3.52 0.62 0.00 -1.26 -5.07 105.19 110.19 1jkn n GLY 50 Ca 0.51 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.59 2.27 -0.04 1.61 2.56 0.15 -5.10 118.70 115.57 1jkn s GLU 51 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 54.97 53.79 1jkn s GLU 51 Cb 0.00 -2.32 -0.04 0.00 2.00 0.00 0.00 34.13 33.77 1jkn s GLU 51 CO 0.00 0.56 1.24 -0.51 -0.56 0.00 0.00 175.26 175.99 1jkn s ASP 52 N -1.50 7.01 0.21 -1.70 1.11 -1.26 -4.71 116.67 115.84 1jkn s ASP 52 Ca 0.16 1.89 -0.11 0.00 0.18 0.00 0.00 52.55 54.67 1jkn s ASP 52 Cb -0.11 -2.56 0.28 0.00 1.07 0.00 0.00 42.92 41.60 1jkn s ASP 52 CO 0.07 -0.60 1.67 1.55 1.18 0.00 0.00 175.17 179.04 1jkn h PRO 53 N 7.48 0.14 -0.05 8.23 0.13 -1.97 0.78 132.00 146.74 1jkn h PRO 53 Ca -0.35 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1jkn h PRO 53 Cb 1.17 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1jkn h PRO 53 CO 0.88 0.09 0.05 -0.09 -0.23 0.00 0.00 178.00 178.70 1jkn h ARG 54 N 0.14 0.00 0.10 0.86 9.65 -1.92 0.22 114.38 123.44 1jkn h ARG 54 Ca 0.31 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.89 1jkn h ARG 54 Cb 0.49 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1jkn h ARG 54 CO -0.49 0.00 -1.59 -0.97 2.80 0.00 0.00 179.97 179.72 1jkn h ASN 55 N 0.00 0.34 -0.18 -3.80 -1.24 -1.05 -3.00 115.58 106.65 1jkn h ASN 55 Ca 0.03 -0.83 -0.01 0.00 0.71 0.00 0.00 56.30 56.20 1jkn h ASN 55 Cb 0.12 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1jkn h ASN 55 CO -0.00 1.68 0.10 0.00 -1.29 0.00 0.00 177.43 177.92 1jkn h ALA 56 N -0.08 1.78 0.16 1.57 0.00 0.90 0.40 119.26 123.99 1jkn h ALA 56 Ca -0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1jkn h ALA 56 Cb 1.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jkn h ALA 56 CO 0.03 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.38 1jkn h ALA 57 N 1.82 -0.22 -0.40 0.00 0.00 -0.70 0.87 119.26 120.63 1jkn h ALA 57 Ca 0.07 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1jkn h ALA 57 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jkn h ALA 57 CO -0.01 -0.32 0.30 0.82 0.00 0.00 0.00 179.25 180.04 1jkn h ILE 58 N -0.82 0.75 0.00 0.00 2.04 -1.34 0.32 117.51 118.46 1jkn h ILE 58 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1jkn h ILE 58 Cb 0.53 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1jkn h ILE 58 CO 0.04 0.00 -0.29 -0.09 0.00 0.00 0.00 178.15 177.81 1jkn h ARG 59 N 0.00 0.00 -0.74 2.37 2.43 -0.86 -3.29 114.38 114.29 1jkn h ARG 59 Ca 0.19 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 1jkn h ARG 59 Cb 0.79 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1jkn h ARG 59 CO -0.00 0.72 0.33 0.93 -1.51 0.00 0.00 179.97 180.44 1jkn h GLU 60 N -1.00 0.51 0.32 0.20 4.39 0.15 -1.08 114.58 118.06 1jkn h GLU 60 Ca -0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1jkn h GLU 60 Cb 0.82 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1jkn h GLU 60 CO -0.04 0.34 -0.29 1.25 -1.16 0.00 0.00 179.01 179.10 1jkn h LEU 61 N 0.52 -0.77 -0.88 1.33 5.85 -0.54 0.74 115.31 121.56 1jkn h LEU 61 Ca 0.39 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1jkn h LEU 61 Cb 0.52 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1jkn h LEU 61 CO -0.34 -0.42 0.00 -1.14 -0.34 0.00 0.00 178.44 176.20 1jkn n ARG 62 N -5.41 0.11 -0.05 1.25 0.63 -0.94 0.92 116.66 113.17 1jkn n ARG 62 Ca -0.09 0.54 -0.22 0.00 -0.92 0.00 0.00 57.85 57.17 1jkn n ARG 62 Cb 0.32 -1.80 -0.13 0.00 0.45 0.00 0.00 32.46 31.29 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jkn n GLU 63 N -2.02 0.69 0.02 -0.14 -0.58 0.21 -2.43 120.64 116.39 1jkn n GLU 63 Ca -0.00 0.33 -0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1jkn n GLU 63 Cb 0.07 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 29.17 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jkn n GLU 64 N -3.75 0.63 -0.00 3.49 -0.58 0.23 -3.49 120.64 117.17 1jkn n GLU 64 Ca -0.35 0.19 0.02 0.00 -0.42 0.00 0.00 57.16 56.59 1jkn n GLU 64 Cb 0.94 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1jkn n THR 65 N -2.86 0.01 -0.92 2.62 -2.24 0.26 -4.48 114.28 106.68 1jkn n THR 65 Ca -0.11 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1jkn n THR 65 Cb 0.85 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 2.32 0.53 3.64 3.38 0.00 -0.64 0.11 105.19 114.53 1jkn n GLY 66 Ca -0.01 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 -2.43 3.74 -0.18 1.61 1.01 -1.25 -4.31 120.40 118.60 1jkn s VAL 67 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1jkn s VAL 67 Cb 0.00 -3.70 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 1jkn s VAL 67 CO 0.00 -0.24 0.14 0.35 0.00 0.00 0.00 175.10 175.35 1jkn n THR 68 N 6.15 1.52 -2.88 3.92 -2.24 -1.26 -3.89 114.28 115.60 1jkn n THR 68 Ca 0.18 -0.73 -0.44 0.00 -2.27 0.00 0.00 64.05 60.79 1jkn n THR 68 Cb 0.45 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.07 5.24 -3.70 3.42 7.64 -1.26 -4.91 113.62 116.98 1jkn n SER 69 Ca -0.34 -3.01 -0.11 0.00 1.01 0.00 0.00 58.87 56.42 1jkn n SER 69 Cb 1.07 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 1.16 -0.85 0.11 -0.43 0.00 -1.26 0.11 121.76 120.59 1jkn s ALA 70 Ca 0.42 1.31 0.10 0.00 0.00 0.00 0.00 51.96 53.78 1jkn s ALA 70 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1jkn s ALA 70 CO -0.00 -0.28 -0.24 -1.83 0.00 0.00 0.00 175.76 173.41 1jkn s GLU 71 N 1.46 1.60 -0.17 0.00 -1.05 -0.81 -4.88 118.70 114.84 1jkn s GLU 71 Ca -0.09 -1.25 -0.29 0.00 -0.15 0.00 0.00 54.97 53.19 1jkn s GLU 71 Cb -0.09 -1.99 -0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1jkn s GLU 71 CO -0.11 0.47 1.02 0.08 0.95 0.00 0.00 175.26 177.67 1jkn s VAL 72 N -1.05 4.73 -0.03 1.83 1.01 -1.25 0.14 120.40 125.78 1jkn s VAL 72 Ca 0.15 2.03 0.18 0.00 0.00 0.00 0.00 61.98 64.35 1jkn s VAL 72 Cb -0.10 -4.31 -0.28 0.00 0.00 0.00 0.00 36.38 31.68 1jkn s VAL 72 CO 0.07 -0.09 0.39 -0.38 0.00 0.00 0.00 175.10 175.09 1jkn n ILE 73 N 4.93 0.07 -3.59 2.22 2.08 0.22 -4.90 119.36 120.39 1jkn n ILE 73 Ca 0.10 -0.44 -0.11 0.00 0.56 0.00 0.00 62.75 62.86 1jkn n ILE 73 Cb 0.47 0.04 -0.04 0.00 -0.75 0.00 0.00 39.64 39.37 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 -3.24 -1.13 -0.17 -1.39 0.00 -1.15 -4.96 121.76 109.73 1jkn s ALA 74 Ca -0.07 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 1jkn s ALA 74 Cb 0.11 0.78 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1jkn s ALA 74 CO 0.77 -0.71 0.31 -1.83 0.00 0.00 0.00 175.76 174.30 1jkn s GLU 75 N -3.80 0.23 0.15 0.00 -1.05 -1.26 0.11 118.70 113.07 1jkn s GLU 75 Ca 0.04 0.73 -0.33 0.00 -0.15 0.00 0.00 54.97 55.26 1jkn s GLU 75 Cb 0.00 -0.13 -0.13 0.00 -0.44 0.00 0.00 34.13 33.44 1jkn s GLU 75 CO -0.10 -0.37 1.67 0.28 0.95 0.00 0.00 175.26 177.69 1jkn n VAL 76 N 5.36 0.08 0.30 1.83 0.31 -0.99 -4.86 118.33 120.36 1jkn n VAL 76 Ca -0.06 -0.01 0.17 0.00 -0.01 0.00 0.00 64.34 64.42 1jkn n VAL 76 Cb 0.50 -1.76 0.77 0.00 -0.91 0.00 0.00 33.84 32.44 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 6.70 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 138.94 1jkn h PRO 77 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 1jkn h PRO 77 Cb 1.24 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1jkn h PRO 77 CO 0.92 0.00 -0.45 2.48 -0.23 0.00 0.00 178.00 180.72 1jkn n TYR 78 N -2.80 0.60 -4.27 1.56 0.18 -1.26 -4.69 117.16 106.48 1jkn n TYR 78 Ca -0.00 -2.46 -0.32 0.00 1.88 0.00 0.00 57.90 57.00 1jkn n TYR 78 Cb 0.19 -0.15 -0.09 0.00 -0.38 0.00 0.00 39.34 38.91 1jkn n TYR 78 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1jkn s TRP 79 N -2.90 3.03 -0.25 -3.48 0.52 -1.26 -4.64 118.94 109.96 1jkn s TRP 79 Ca 0.11 0.04 -0.05 0.00 0.02 0.00 0.00 56.10 56.22 1jkn s TRP 79 Cb 0.01 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1jkn s TRP 79 CO 0.07 0.45 0.01 -0.51 0.02 0.00 0.00 176.95 177.00 1jkn s LEU 80 N -1.72 3.34 -0.13 2.99 1.43 0.12 -2.26 118.68 122.45 1jkn s LEU 80 Ca 0.21 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1jkn s LEU 80 Cb -0.11 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1jkn s LEU 80 CO 0.12 -0.10 0.11 0.42 0.23 0.00 0.00 176.35 177.12 1jkn s THR 81 N 1.47 5.21 0.28 5.49 -4.23 -1.26 -2.34 115.64 120.26 1jkn s THR 81 Ca 0.04 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1jkn s THR 81 Cb -0.16 -3.28 -0.06 0.00 1.34 0.00 0.00 72.50 70.35 1jkn s THR 81 CO -0.01 0.57 0.08 -0.72 -0.54 0.00 0.00 174.62 174.00 1jkn s TYR 82 N -0.66 1.70 0.18 3.99 1.13 -0.54 -4.93 117.35 118.23 1jkn s TYR 82 Ca 0.12 -1.08 0.07 0.00 -1.41 0.00 0.00 57.07 54.77 1jkn s TYR 82 Cb -0.12 -1.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.65 1jkn s TYR 82 CO 0.02 -0.19 -0.15 0.16 -2.51 0.00 0.00 175.55 172.89 1jkn s ASP 83 N -3.38 2.48 0.04 -0.18 -4.77 -1.26 -1.67 116.67 107.92 1jkn s ASP 83 Ca 0.37 -0.96 0.07 0.00 -3.30 0.00 0.00 52.55 48.73 1jkn s ASP 83 Cb 0.08 -0.12 -0.03 0.00 -1.09 0.00 0.00 42.92 41.75 1jkn s ASP 83 CO 0.14 -0.15 -0.18 -0.36 0.70 0.00 0.00 175.17 175.32 1jkn s PHE 84 N -2.71 2.55 1.15 2.11 0.08 -1.23 -4.89 117.98 115.03 1jkn s PHE 84 Ca 0.19 -0.26 -0.13 0.00 0.12 0.00 0.00 56.93 56.85 1jkn s PHE 84 Cb -0.02 -1.46 0.28 0.00 -0.57 0.00 0.00 43.02 41.25 1jkn s PHE 84 CO 0.06 0.25 1.03 -1.25 -0.10 0.00 0.00 175.22 175.21 1jkn s PRO 85 N -1.42 -0.83 0.43 0.24 0.04 -1.26 -4.34 135.00 127.86 1jkn s PRO 85 Ca 0.14 0.78 0.29 0.00 0.04 0.00 0.00 61.00 62.26 1jkn s PRO 85 Cb -0.10 -1.57 1.55 0.00 0.04 0.00 0.00 34.50 34.42 1jkn s PRO 85 CO 0.05 -3.65 1.89 -1.00 0.04 0.00 0.00 177.00 174.33 1jkn h PRO 86 N -2.57 0.00 0.09 0.56 0.13 -2.00 0.65 132.00 128.85 1jkn h PRO 86 Ca -0.61 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.18 1jkn h PRO 86 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1jkn h PRO 86 CO 0.51 0.00 -1.84 0.36 -0.23 0.00 0.00 178.00 176.81 1jkn n LYS 87 N -2.53 0.70 -0.03 0.86 2.85 -1.26 -2.89 118.16 115.87 1jkn n LYS 87 Ca -0.02 0.34 -0.15 0.00 -1.05 0.00 0.00 58.31 57.43 1jkn n LYS 87 Cb 0.06 -1.71 -0.10 0.00 -0.65 0.00 0.00 35.03 32.63 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1jkn h VAL 88 N -0.23 1.46 -0.37 0.58 2.07 -1.74 0.61 116.25 118.63 1jkn h VAL 88 Ca -0.42 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 1jkn h VAL 88 Cb 1.83 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 34.06 1jkn h VAL 88 CO -0.01 0.51 0.22 -0.09 0.02 0.00 0.00 177.57 178.22 1jkn h ARG 89 N -0.27 0.50 0.00 1.57 1.12 0.09 0.71 114.38 118.10 1jkn h ARG 89 Ca -0.03 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 1jkn h ARG 89 Cb 0.98 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.84 1jkn h ARG 89 CO 0.06 0.37 -0.09 1.49 -3.11 0.00 0.00 179.97 178.69 1jkn h GLU 90 N 0.48 0.00 0.10 0.20 4.81 -1.58 -2.41 114.58 116.18 1jkn h GLU 90 Ca 0.13 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.13 1jkn h GLU 90 Cb -0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jkn h GLU 90 CO -0.03 0.09 -1.18 -0.22 -0.73 0.00 0.00 179.01 176.94 1jkn h LYS 91 N 0.00 0.21 -0.47 1.92 3.11 0.17 -3.35 116.57 118.16 1jkn h LYS 91 Ca -0.00 -0.37 -0.00 0.00 -2.81 0.00 0.00 60.65 57.47 1jkn h LYS 91 Cb 0.64 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.98 1jkn h LYS 91 CO 0.01 1.18 0.29 -0.07 -2.81 0.00 0.00 179.45 178.04 1jkn h LEU 92 N -0.43 0.57 -1.69 5.20 3.38 0.43 0.66 115.31 123.43 1jkn h LEU 92 Ca -0.26 -0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.01 1jkn h LEU 92 Cb 1.64 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 1jkn h LEU 92 CO 0.05 0.45 0.83 0.78 0.09 0.00 0.00 178.44 180.64 1jkn h ASN 93 N 0.63 0.19 0.01 -0.43 -0.26 -1.56 1.78 115.58 115.94 1jkn h ASN 93 Ca 0.17 0.05 -0.39 0.00 -0.56 0.00 0.00 56.30 55.57 1jkn h ASN 93 Cb -0.01 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.22 1jkn h ASN 93 CO -0.03 0.00 -2.18 -0.38 -1.06 0.00 0.00 177.43 173.78 1jkn n ILE 94 N -4.40 1.55 0.14 2.81 -0.00 -0.73 -2.75 119.36 115.98 1jkn n ILE 94 Ca 0.29 -0.35 -0.13 0.00 -0.00 0.00 0.00 62.75 62.56 1jkn n ILE 94 Cb 1.20 -1.84 -0.08 0.00 -0.00 0.00 0.00 39.64 38.93 1jkn n ILE 94 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1jkn h GLN 95 N -0.76 -0.37 0.08 0.38 4.20 0.10 -3.30 115.11 115.44 1jkn h GLN 95 Ca -0.58 0.03 -0.25 0.00 0.06 0.00 0.00 58.65 57.91 1jkn h GLN 95 Cb 1.62 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 1jkn h GLN 95 CO -0.28 -0.03 -1.15 -1.49 -0.67 0.00 0.00 178.83 175.21 1jkn h TRP 96 N -0.81 0.34 -1.68 2.96 4.06 0.23 -3.48 115.95 117.55 1jkn h TRP 96 Ca -0.04 -0.24 -0.07 0.00 2.06 0.00 0.00 58.89 60.60 1jkn h TRP 96 Cb 0.51 -0.01 0.02 0.00 -1.00 0.00 0.00 29.16 28.68 1jkn h TRP 96 CO 0.04 1.18 -0.12 0.41 -3.56 0.00 0.00 178.44 176.39 1jkn n GLY 97 N 1.44 0.61 3.26 1.49 0.00 0.15 -4.98 105.19 107.16 1jkn n GLY 97 Ca -0.06 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.02 2.44 -0.89 1.61 0.01 -1.24 -4.99 113.70 107.62 1jkn s SER 98 Ca 0.09 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1jkn s SER 98 Cb -0.04 -0.16 0.26 0.00 0.21 0.00 0.00 66.02 66.28 1jkn s SER 98 CO 0.11 0.10 1.00 0.47 0.41 0.00 0.00 173.24 175.34 1jkn n ASP 99 N 1.47 4.82 -4.07 2.44 9.92 -1.26 -4.00 116.55 125.86 1jkn n ASP 99 Ca -0.18 -3.31 -0.14 0.00 -0.53 0.00 0.00 54.79 50.63 1jkn n ASP 99 Cb 0.53 -1.02 -0.12 0.00 -0.64 0.00 0.00 41.12 39.88 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 -2.14 0.74 0.05 1.24 0.52 -1.26 -5.02 118.94 113.07 1jkn s TRP 100 Ca 0.32 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 56.06 1jkn s TRP 100 Cb 0.03 -0.44 -0.18 0.00 -1.15 0.00 0.00 33.47 31.73 1jkn s TRP 100 CO -0.02 -0.06 1.20 0.87 0.02 0.00 0.00 176.95 178.96 1jkn h LYS 101 N 4.55 0.00 0.00 4.98 6.56 -1.96 -3.49 116.57 127.21 1jkn h LYS 101 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 1jkn h LYS 101 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1jkn h LYS 101 CO 0.41 0.84 0.00 0.41 -2.06 0.00 0.00 179.45 179.05 1jkn n GLY 102 N 1.36 3.93 3.56 3.86 0.00 -1.26 -3.56 105.19 113.08 1jkn n GLY 102 Ca -0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 1jkn n GLY 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jkn s GLN 103 N 3.14 0.64 -0.35 1.61 0.74 -0.67 -3.64 119.66 121.13 1jkn s GLN 103 Ca 0.00 1.14 -0.04 0.00 0.05 0.00 0.00 55.36 56.50 1jkn s GLN 103 Cb 0.00 0.11 0.07 0.00 1.10 0.00 0.00 33.01 34.28 1jkn s GLN 103 CO 0.00 -0.15 0.12 0.00 -0.55 0.00 0.00 175.29 174.70 1jkn s ALA 104 N 1.59 3.03 0.28 1.58 0.00 -1.18 -1.46 121.76 125.60 1jkn s ALA 104 Ca -0.10 -2.00 0.10 0.00 0.00 0.00 0.00 51.96 49.96 1jkn s ALA 104 Cb -0.06 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1jkn s ALA 104 CO -0.18 -1.47 -0.15 1.14 0.00 0.00 0.00 175.76 175.09 1jkn s GLN 105 N 1.29 1.62 -0.39 0.00 -2.07 -0.99 -3.41 119.66 115.72 1jkn s GLN 105 Ca 0.00 -1.77 -0.02 0.00 -1.82 0.00 0.00 55.36 51.75 1jkn s GLN 105 Cb -0.21 -1.55 0.10 0.00 -1.09 0.00 0.00 33.01 30.26 1jkn s GLN 105 CO -0.00 0.23 0.16 0.15 -1.32 0.00 0.00 175.29 174.50 1jkn s LYS 106 N -3.58 2.03 0.61 9.60 -0.14 -1.10 -0.70 119.74 126.45 1jkn s LYS 106 Ca 0.29 -1.73 -0.17 0.00 -1.36 0.00 0.00 55.97 53.00 1jkn s LYS 106 Cb -0.02 -3.49 -0.03 0.00 -1.68 0.00 0.00 37.83 32.62 1jkn s LYS 106 CO 0.13 -0.99 1.11 -1.58 -0.76 0.00 0.00 175.35 173.26 1jkn s TRP 107 N 1.14 2.69 -0.02 3.18 0.52 -1.26 -3.03 118.94 122.16 1jkn s TRP 107 Ca 0.06 1.55 0.01 0.00 0.02 0.00 0.00 56.10 57.74 1jkn s TRP 107 Cb -0.22 -3.19 0.01 0.00 -1.15 0.00 0.00 33.47 28.92 1jkn s TRP 107 CO -0.04 -1.57 -0.02 -0.06 0.02 0.00 0.00 176.95 175.28 1jkn s PHE 108 N -2.15 0.37 0.02 -1.98 0.40 0.14 -2.35 117.98 112.44 1jkn s PHE 108 Ca 0.69 -0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 1jkn s PHE 108 Cb -0.21 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 1jkn s PHE 108 CO 0.35 -0.08 0.98 -1.17 0.70 0.00 0.00 175.22 176.00 1jkn s LEU 109 N 0.53 4.40 -0.09 -0.37 2.96 0.30 0.51 118.68 126.92 1jkn s LEU 109 Ca -0.06 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1jkn s LEU 109 Cb -0.09 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1jkn s LEU 109 CO -0.01 -0.22 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.28 1jkn s PHE 110 N 0.80 1.88 -0.24 5.38 0.40 0.43 0.68 117.98 127.31 1jkn s PHE 110 Ca 0.51 -0.78 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 1jkn s PHE 110 Cb -0.22 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1jkn s PHE 110 CO 0.28 -0.38 0.51 0.21 0.70 0.00 0.00 175.22 176.55 1jkn s LYS 111 N 0.70 4.10 0.06 0.44 2.47 0.38 -0.81 119.74 127.08 1jkn s LYS 111 Ca -0.13 0.34 -0.31 0.00 -1.56 0.00 0.00 55.97 54.32 1jkn s LYS 111 Cb -0.16 -3.63 -0.08 0.00 -1.46 0.00 0.00 37.83 32.50 1jkn s LYS 111 CO 0.03 -0.29 1.65 0.12 0.16 0.00 0.00 175.35 177.02 1jkn s PHE 112 N 2.12 2.41 -0.25 4.03 5.36 -0.72 -1.93 117.98 129.00 1jkn s PHE 112 Ca 0.22 0.32 0.12 0.00 -0.96 0.00 0.00 56.93 56.63 1jkn s PHE 112 Cb -0.16 -3.96 0.46 0.00 -0.34 0.00 0.00 43.02 39.03 1jkn s PHE 112 CO 0.09 -3.86 1.18 0.25 -1.46 0.00 0.00 175.22 171.42 1jkn n THR 113 N 4.75 2.03 -1.04 0.12 -2.24 0.30 -4.75 114.28 113.45 1jkn n THR 113 Ca 0.16 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 1jkn n THR 113 Cb 0.41 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.67 5.56 3.26 3.38 0.00 -1.19 -4.76 105.19 110.76 1jkn n GLY 114 Ca 0.29 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 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 3.45 1.08 0.43 1.61 -1.52 -1.26 -5.00 119.66 118.45 1jkn s GLN 115 Ca 0.00 -1.26 0.15 0.00 -1.95 0.00 0.00 55.36 52.30 1jkn s GLN 115 Cb 0.00 -1.04 0.80 0.00 -0.22 0.00 0.00 33.01 32.55 1jkn s GLN 115 CO 0.00 0.21 1.36 -0.44 -0.25 0.00 0.00 175.29 176.17 1jkn h ASP 116 N 3.53 0.00 1.71 5.90 3.32 -2.02 0.81 116.42 129.66 1jkn h ASP 116 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 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 -0.61 -1.72 0.00 0.00 179.24 177.40 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 -0.00 -2.03 -3.14 115.11 113.50 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1jkn h GLN 117 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 1jkn h GLN 117 CO 0.00 0.00 -0.56 1.49 0.00 0.00 0.00 178.83 179.76 1jkn h GLU 118 N 0.00 0.00 -6.02 1.69 4.57 0.29 -3.42 114.58 111.68 1jkn h GLU 118 Ca 0.00 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.70 1jkn h GLU 118 Cb 0.85 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.40 1jkn h GLU 118 CO 0.00 0.52 1.21 0.42 -1.18 0.00 0.00 179.01 179.98 1jkn s ILE 119 N -2.95 3.47 -0.52 2.32 1.01 -1.19 -3.74 121.20 119.61 1jkn s ILE 119 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1jkn s ILE 119 Cb 0.08 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.48 1jkn s ILE 119 CO 0.75 -1.16 0.34 0.21 0.00 0.00 0.00 174.94 175.09 1jkn s ASN 120 N 7.07 5.37 0.63 3.58 2.47 0.30 -4.93 114.94 129.42 1jkn s ASN 120 Ca 0.60 -2.38 0.31 0.00 0.42 0.00 0.00 52.86 51.82 1jkn s ASN 120 Cb -0.10 -1.88 1.73 0.00 -1.45 0.00 0.00 41.25 39.55 1jkn s ASN 120 CO 0.14 -0.50 2.05 -0.07 -3.72 0.00 0.00 177.10 175.01 1jkn h LEU 121 N 7.68 0.00 0.71 3.21 3.38 -1.77 -2.00 115.31 126.52 1jkn h LEU 121 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jkn h LEU 121 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1jkn h LEU 121 CO 0.73 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.85 1jkn h LEU 122 N 0.00 -0.81 0.00 1.67 3.38 -1.82 -3.28 115.31 114.46 1jkn h LEU 122 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 122 Cb 0.59 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1jkn h LEU 122 CO -0.00 -0.50 0.00 0.61 0.09 0.00 0.00 178.44 178.64 1jkn n GLY 123 N -1.11 -0.11 1.99 0.83 0.00 -0.78 -3.08 105.19 102.91 1jkn n GLY 123 Ca -0.13 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 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 6.42 -1.54 1.61 5.68 -1.04 -4.66 116.55 126.01 1jkn n ASP 124 Ca 0.00 -3.24 -0.14 0.00 -0.50 0.00 0.00 54.79 50.91 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 0.00 -1.14 0.00 0.00 41.12 38.97 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkn n GLY 125 N -0.07 0.09 0.64 6.12 0.00 -1.26 -4.90 105.19 105.80 1jkn n GLY 125 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1jkn n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 126 N -0.67 0.58 -4.81 1.61 2.88 -1.26 -5.09 113.62 106.86 1jkn n SER 126 Ca -0.17 0.09 -0.22 0.00 -1.33 0.00 0.00 58.87 57.24 1jkn n SER 126 Cb 0.60 -0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1jkn s GLU 127 N -1.55 2.60 0.62 -1.46 4.04 -1.26 -5.11 118.70 116.59 1jkn s GLU 127 Ca -0.05 -1.38 -0.17 0.00 0.04 0.00 0.00 54.97 53.41 1jkn s GLU 127 Cb 0.01 -2.37 -0.02 0.00 0.02 0.00 0.00 34.13 31.76 1jkn s GLU 127 CO 0.07 0.10 1.17 0.15 -1.84 0.00 0.00 175.26 174.90 1jkn s LYS 128 N -3.95 2.87 0.98 -4.83 1.02 -1.26 -4.61 119.74 109.97 1jkn s LYS 128 Ca 0.40 1.67 -0.15 0.00 0.02 0.00 0.00 55.97 57.91 1jkn s LYS 128 Cb -0.05 -1.93 0.11 0.00 -0.52 0.00 0.00 37.83 35.44 1jkn s LYS 128 CO 0.25 -1.25 0.06 -2.30 -0.92 0.00 0.00 175.35 171.20 1jkn n PRO 129 N -1.91 -1.75 0.00 -1.68 -0.02 -1.18 -4.88 135.00 123.58 1jkn n PRO 129 Ca 0.12 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1jkn n PRO 129 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.10 0.00 -4.20 -0.52 1.02 -1.23 -5.01 120.64 109.60 1jkn n GLU 130 Ca 0.04 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1jkn n GLU 130 Cb 0.41 -0.13 -0.06 0.00 -0.02 0.00 0.00 31.44 31.64 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 -1.49 2.90 -0.03 -0.32 0.08 -1.26 -2.28 117.98 115.59 1jkn s PHE 131 Ca 0.00 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.95 1jkn s PHE 131 Cb 0.00 -1.31 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1jkn s PHE 131 CO 0.00 0.57 0.13 0.41 -0.10 0.00 0.00 175.22 176.23 1jkn n GLY 132 N -0.96 -0.20 3.61 4.36 0.00 -0.96 -4.61 105.19 106.42 1jkn n GLY 132 Ca -0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.32 1.82 -0.01 1.61 0.41 -1.26 -5.00 118.70 113.95 1jkn s GLU 133 Ca -0.02 -1.45 -0.27 0.00 -0.41 0.00 0.00 54.97 52.82 1jkn s GLU 133 Cb 0.04 0.50 0.06 0.00 -1.78 0.00 0.00 34.13 32.95 1jkn s GLU 133 CO 0.23 -0.78 0.61 1.67 -0.49 0.00 0.00 175.26 176.50 1jkn s TRP 134 N -3.34 -0.56 0.08 1.61 1.48 -1.26 -0.33 118.94 116.62 1jkn s TRP 134 Ca 0.23 0.86 -0.11 0.00 -1.06 0.00 0.00 56.10 56.03 1jkn s TRP 134 Cb -0.02 0.38 0.01 0.00 -1.16 0.00 0.00 33.47 32.68 1jkn s TRP 134 CO 0.13 -0.62 0.24 -1.12 -4.06 0.00 0.00 176.95 171.53 1jkn s SER 135 N -1.48 0.02 -0.22 -2.66 0.01 0.24 -4.97 113.70 104.64 1jkn s SER 135 Ca -0.09 -0.50 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1jkn s SER 135 Cb -0.01 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 1jkn s SER 135 CO 0.05 -0.72 0.45 0.26 0.41 0.00 0.00 173.24 173.70 1jkn s TRP 136 N -3.53 3.34 0.06 2.43 0.52 -1.26 -1.33 118.94 119.16 1jkn s TRP 136 Ca 0.02 0.65 0.03 0.00 0.02 0.00 0.00 56.10 56.82 1jkn s TRP 136 Cb 0.03 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1jkn s TRP 136 CO -0.09 -0.11 -0.10 0.14 0.02 0.00 0.00 176.95 176.81 1jkn s VAL 137 N 1.66 0.77 0.73 4.03 -7.23 -1.15 -4.87 120.40 114.34 1jkn s VAL 137 Ca 0.21 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 1jkn s VAL 137 Cb -0.15 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 35.93 1jkn s VAL 137 CO 0.09 -0.38 1.09 0.42 -0.31 0.00 0.00 175.10 176.01 1jkn s THR 138 N -1.60 3.36 0.54 5.32 -4.23 -1.26 0.74 115.64 118.52 1jkn s THR 138 Ca -0.05 0.50 0.31 0.00 -1.18 0.00 0.00 61.69 61.27 1jkn s THR 138 Cb -0.08 -3.01 0.31 0.00 1.34 0.00 0.00 72.50 71.05 1jkn s THR 138 CO 0.01 -0.52 1.93 1.55 -0.54 0.00 0.00 174.62 177.05 1jkn h PRO 139 N -0.71 0.00 0.04 3.99 0.13 -1.95 0.26 132.00 133.75 1jkn h PRO 139 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 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 0.53 0.00 -1.92 0.39 -0.23 0.00 0.00 178.00 176.77 1jkn n GLU 140 N -2.79 0.68 -0.02 0.86 4.71 -1.26 -3.68 120.64 119.12 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.01 0.00 0.00 57.16 57.24 1jkn n GLU 140 Cb 0.29 -1.72 -0.10 0.00 -1.01 0.00 0.00 31.44 28.89 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 0.02 -0.00 -0.73 3.49 1.08 -0.95 -2.92 115.11 115.09 1jkn h GLN 141 Ca -0.37 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1jkn h GLN 141 Cb 2.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.43 1jkn h GLN 141 CO 0.07 0.56 0.51 1.25 -0.95 0.00 0.00 178.83 180.27 1jkn h LEU 142 N -0.57 0.17 -1.41 1.46 5.85 -1.04 1.10 115.31 120.87 1jkn h LEU 142 Ca -0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1jkn h LEU 142 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1jkn h LEU 142 CO 0.00 0.08 -0.30 0.40 -0.34 0.00 0.00 178.44 178.28 1jkn h ILE 143 N 0.18 1.16 0.01 4.05 5.03 -1.60 0.29 117.51 126.62 1jkn h ILE 143 Ca 0.36 -1.04 -0.20 0.00 -0.12 0.00 0.00 64.86 63.85 1jkn h ILE 143 Cb 1.15 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 36.50 1jkn h ILE 143 CO -0.06 0.29 -0.91 0.44 -0.68 0.00 0.00 178.15 177.23 1jkn h ASP 144 N 0.00 0.19 -0.03 1.72 3.32 0.14 -3.23 116.42 118.53 1jkn h ASP 144 Ca -0.00 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 56.64 1jkn h ASP 144 Cb 0.55 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.06 1jkn h ASP 144 CO 0.04 1.00 -0.95 -0.07 -1.72 0.00 0.00 179.24 177.53 1jkn h LEU 145 N 0.07 0.88 -9.92 1.55 3.38 -0.54 -3.46 115.31 107.28 1jkn h LEU 145 Ca -0.04 -0.72 -0.48 0.00 0.09 0.00 0.00 57.88 56.72 1jkn h LEU 145 Cb 1.56 -0.27 0.22 0.00 0.09 0.00 0.00 40.66 42.26 1jkn h LEU 145 CO 0.13 1.49 -0.46 0.41 0.09 0.00 0.00 178.44 180.10 1jkn n THR 146 N -3.91 0.00 -3.80 0.22 -1.04 0.95 -4.49 114.28 102.21 1jkn n THR 146 Ca -0.10 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.05 61.44 1jkn n THR 146 Cb 0.84 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 68.56 1jkn n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jkn s VAL 147 N -2.39 5.09 0.29 12.58 0.11 -1.26 -4.86 120.40 129.95 1jkn s VAL 147 Ca 0.61 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1jkn s VAL 147 Cb -0.20 -3.81 0.29 0.00 -1.53 0.00 0.00 36.38 31.14 1jkn s VAL 147 CO 0.65 -0.35 1.68 -0.33 -3.33 0.00 0.00 175.10 173.42 1jkn h GLU 148 N 1.05 0.32 -0.04 1.54 4.39 -1.95 0.77 114.58 120.67 1jkn h GLU 148 Ca -0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1jkn h GLU 148 Cb 1.23 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jkn h GLU 148 CO 0.60 0.21 0.00 1.97 -1.16 0.00 0.00 179.01 180.64 1jkn n PHE 149 N -5.10 0.05 -0.18 4.33 1.16 -1.26 -3.32 117.46 113.15 1jkn n PHE 149 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.77 1jkn n PHE 149 Cb 0.66 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.53 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 -0.49 1.20 0.44 3.97 5.02 0.23 -4.58 118.16 123.95 1jkn n LYS 150 Ca 0.15 -0.25 -0.17 0.00 -2.02 0.00 0.00 58.31 56.02 1jkn n LYS 150 Cb 0.14 -0.70 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.07 -0.63 1.97 1.57 -0.36 -1.95 116.57 116.11 1jkn h LYS 151 Ca 0.00 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1jkn h LYS 151 Cb 0.09 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1jkn h LYS 151 CO 0.00 -0.71 0.37 -1.00 -0.57 0.00 0.00 179.45 177.54 1jkn h PRO 152 N -1.11 0.86 -0.26 3.15 0.13 -1.87 0.42 132.00 133.33 1jkn h PRO 152 Ca -0.11 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1jkn h PRO 152 Cb 0.85 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1jkn h PRO 152 CO 0.18 0.63 0.20 0.28 -0.23 0.00 0.00 178.00 179.06 1jkn h VAL 153 N 0.86 0.80 0.00 1.56 2.07 -1.84 -0.68 116.25 119.01 1jkn h VAL 153 Ca 0.23 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.62 1jkn h VAL 153 Cb -0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jkn h VAL 153 CO -0.04 0.00 -0.96 -1.22 0.02 0.00 0.00 177.57 175.37 1jkn n TYR 154 N -4.36 0.87 -0.34 1.57 4.02 -0.73 -3.72 117.16 114.47 1jkn n TYR 154 Ca 0.03 0.38 0.32 0.00 -0.01 0.00 0.00 57.90 58.62 1jkn n TYR 154 Cb 0.35 -0.91 0.66 0.00 -0.02 0.00 0.00 39.34 39.42 1jkn n TYR 154 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1jkn h LYS 155 N -1.00 0.13 -0.23 -0.72 1.57 -0.04 0.62 116.57 116.91 1jkn h LYS 155 Ca -0.19 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1jkn h LYS 155 Cb 0.93 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1jkn h LYS 155 CO -0.11 0.09 -0.22 1.49 -0.57 0.00 0.00 179.45 180.12 1jkn h GLU 156 N 0.14 0.55 -0.76 3.15 4.57 -1.30 0.12 114.58 121.05 1jkn h GLU 156 Ca 0.60 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1jkn h GLU 156 Cb 2.07 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.63 1jkn h GLU 156 CO -0.13 0.88 0.50 0.28 -1.18 0.00 0.00 179.01 179.35 1jkn h VAL 157 N 0.25 1.17 -0.10 0.32 2.07 0.09 -0.13 116.25 119.92 1jkn h VAL 157 Ca 0.04 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1jkn h VAL 157 Cb 0.77 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jkn h VAL 157 CO 0.06 0.18 -0.03 -0.07 0.02 0.00 0.00 177.57 177.73 1jkn h LEU 158 N 1.00 0.20 -0.64 2.57 3.38 -1.04 -1.97 115.31 118.81 1jkn h LEU 158 Ca 0.29 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1jkn h LEU 158 Cb -0.08 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 1jkn h LEU 158 CO -0.08 0.52 0.11 -1.28 0.09 0.00 0.00 178.44 177.81 1jkn h SER 159 N -0.13 -0.06 0.63 -0.43 0.87 -0.30 1.60 113.55 115.73 1jkn h SER 159 Ca 0.03 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1jkn h SER 159 Cb 0.44 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1jkn h SER 159 CO 0.01 -0.03 -0.18 0.58 -0.53 0.00 0.00 176.83 176.68 1jkn h VAL 160 N 0.23 0.59 -0.41 2.23 2.07 -0.96 -2.44 116.25 117.56 1jkn h VAL 160 Ca 0.34 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1jkn h VAL 160 Cb 0.54 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1jkn h VAL 160 CO -0.46 0.18 0.00 0.49 0.02 0.00 0.00 177.57 177.80 1jkn n PHE 161 N -3.53 0.53 -0.14 1.57 3.72 0.17 -4.59 117.46 115.19 1jkn n PHE 161 Ca -0.01 -0.30 -0.04 0.00 -0.05 0.00 0.00 57.45 57.05 1jkn n PHE 161 Cb 0.34 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.90 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 3.92 0.31 -0.54 4.37 0.00 0.25 0.15 119.26 127.72 1jkn h ALA 162 Ca 0.00 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1jkn h ALA 162 Cb 0.91 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1jkn h ALA 162 CO 0.00 -0.44 0.63 -1.35 0.00 0.00 0.00 179.25 178.09 1jkn h PRO 163 N 0.01 0.00 0.00 0.00 0.11 -1.81 0.32 132.00 130.63 1jkn h PRO 163 Ca 0.22 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.11 1jkn h PRO 163 Cb 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 1jkn h PRO 163 CO -0.46 0.00 -1.84 0.72 -0.21 0.00 0.00 178.00 176.21 1jkn n HIS 164 N -3.54 0.54 1.07 0.65 8.25 -0.05 -5.23 115.22 116.91 1jkn n HIS 164 Ca 0.11 0.18 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 1jkn n HIS 164 Cb 0.83 -0.98 0.16 0.00 1.12 0.00 0.00 29.99 31.12 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26