#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 -0.59 -0.01 1.61 -0.04 -1.26 -5.03 135.00 129.67 1jkn n PRO 2 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1jkn n PRO 2 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1jkn n PRO 2 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1jkn n LEU 3 N 0.00 0.00 -2.88 1.53 -0.00 -1.26 -4.79 117.00 109.61 1jkn n LEU 3 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 56.01 55.66 1jkn n LEU 3 Cb 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 43.42 43.31 1jkn n LEU 3 CO 0.00 -1.55 2.39 0.61 -0.00 0.00 0.00 177.39 178.84 1jkn n GLY 4 N -0.27 4.19 0.00 1.47 0.00 -1.26 -4.82 105.19 104.50 1jkn n GLY 4 Ca 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1jkn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 5 N 2.37 0.20 0.00 1.61 7.64 -1.26 -4.49 113.62 119.68 1jkn n SER 5 Ca 0.61 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1jkn n SER 5 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1jkn n SER 5 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1jkn n MET 6 N 0.00 0.00 0.00 1.43 1.56 0.80 -4.58 117.12 116.33 1jkn n MET 6 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1jkn n MET 6 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 0.51 -3.65 6.12 9.92 -1.26 0.15 116.55 128.34 1jkn n ASP 7 Ca 0.00 -1.80 -0.00 0.00 -0.53 0.00 0.00 54.79 52.46 1jkn n ASP 7 Cb 0.00 -0.25 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1jkn s SER 8 N -0.54 -0.18 -0.01 -2.24 1.04 -1.26 -4.94 113.70 105.58 1jkn s SER 8 Ca 0.00 0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.42 1jkn s SER 8 Cb 0.00 0.88 -0.06 0.00 0.10 0.00 0.00 66.02 66.94 1jkn s SER 8 CO 0.00 -0.05 1.62 -2.16 0.98 0.00 0.00 173.24 173.63 1jkn s PRO 9 N 0.87 4.20 0.74 4.02 0.04 -1.26 -4.99 135.00 138.62 1jkn s PRO 9 Ca -0.05 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 1jkn s PRO 9 Cb -0.03 -3.81 0.13 0.00 0.04 0.00 0.00 34.50 30.83 1jkn s PRO 9 CO -0.12 -0.77 1.02 -1.25 0.04 0.00 0.00 177.00 175.92 1jkn s PRO 10 N 3.37 1.61 -0.00 0.56 0.04 -1.26 -4.99 135.00 134.32 1jkn s PRO 10 Ca 0.72 -1.02 0.12 0.00 0.04 0.00 0.00 61.00 60.87 1jkn s PRO 10 Cb -0.35 -2.28 0.36 0.00 0.04 0.00 0.00 34.50 32.27 1jkn s PRO 10 CO 0.30 -1.52 1.29 0.39 0.04 0.00 0.00 177.00 177.50 1jkn n GLU 11 N -2.92 1.97 -0.00 4.56 -0.58 -1.26 -3.60 120.64 118.81 1jkn n GLU 11 Ca 0.15 -1.46 0.11 0.00 -0.42 0.00 0.00 57.16 55.53 1jkn n GLU 11 Cb 0.60 -1.33 -0.12 0.00 -0.57 0.00 0.00 31.44 30.02 1jkn n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkn n GLY 12 N 1.12 -1.03 3.10 0.62 0.00 -1.26 -4.93 105.19 102.82 1jkn n GLY 12 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.20 1.18 0.42 1.61 2.02 -1.24 -1.38 117.35 116.76 1jkn s TYR 13 Ca 0.02 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 1jkn s TYR 13 Cb 0.15 -0.75 -0.10 0.00 -0.40 0.00 0.00 41.96 40.87 1jkn s TYR 13 CO 0.87 -0.01 0.99 1.03 -1.57 0.00 0.00 175.55 176.87 1jkn s ARG 14 N -0.50 4.17 0.15 -0.62 1.81 -1.12 -4.45 118.95 118.39 1jkn s ARG 14 Ca 0.04 1.30 -0.31 0.00 -1.72 0.00 0.00 55.73 55.04 1jkn s ARG 14 Cb -0.06 -2.34 -0.09 0.00 -0.45 0.00 0.00 34.95 32.01 1jkn s ARG 14 CO -0.00 -0.10 1.44 1.03 -0.68 0.00 0.00 175.30 176.99 1jkn s ARG 15 N -2.85 4.29 0.15 3.54 0.52 -1.26 -2.16 118.95 121.17 1jkn s ARG 15 Ca 0.60 2.18 -0.14 0.00 -0.52 0.00 0.00 55.73 57.85 1jkn s ARG 15 Cb -0.15 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.13 1jkn s ARG 15 CO 0.20 -0.47 0.40 -0.80 0.02 0.00 0.00 175.30 174.64 1jkn s ASN 16 N 1.01 -0.16 -0.05 0.23 -0.87 -1.19 -2.77 114.94 111.13 1jkn s ASN 16 Ca 0.65 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1jkn s ASN 16 Cb -0.39 0.49 0.02 0.00 -0.02 0.00 0.00 41.25 41.35 1jkn s ASN 16 CO 0.32 -0.91 -0.03 0.68 -2.57 0.00 0.00 177.10 174.59 1jkn s VAL 17 N -3.86 0.46 -0.10 1.60 -7.23 0.22 -3.00 120.40 108.50 1jkn s VAL 17 Ca 0.08 -0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 1jkn s VAL 17 Cb 0.01 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1jkn s VAL 17 CO -0.07 0.23 0.22 -0.83 -0.31 0.00 0.00 175.10 174.34 1jkn s GLY 18 N 1.29 2.24 -0.38 2.32 0.00 -1.24 -1.30 107.32 110.24 1jkn s GLY 18 Ca -0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 1jkn s GLY 18 CO -0.02 -0.17 0.14 -0.42 0.00 0.00 0.00 173.10 172.63 1jkn s ILE 19 N -0.87 3.05 -0.55 0.90 1.09 -0.41 0.15 121.20 124.57 1jkn s ILE 19 Ca 0.17 -2.01 -0.22 0.00 -1.10 0.00 0.00 60.65 57.49 1jkn s ILE 19 Cb -0.13 -3.07 0.06 0.00 -1.06 0.00 0.00 42.46 38.25 1jkn s ILE 19 CO 0.06 -0.59 0.81 0.00 -0.10 0.00 0.00 174.94 175.12 1jkn s LEU 21 N 3.37 4.02 0.14 0.00 2.96 -1.26 0.23 118.68 128.14 1jkn s LEU 21 Ca 0.22 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1jkn s LEU 21 Cb -0.16 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1jkn s LEU 21 CO 0.14 0.19 -0.12 0.00 -1.32 0.00 0.00 176.35 175.24 1jkn s MET 22 N -2.31 1.06 0.44 1.98 0.23 0.14 0.12 119.30 120.96 1jkn s MET 22 Ca 0.30 -1.36 0.08 0.00 -1.03 0.00 0.00 55.69 53.69 1jkn s MET 22 Cb -0.12 -0.80 0.02 0.00 -1.53 0.00 0.00 34.83 32.39 1jkn s MET 22 CO 0.23 0.13 0.57 0.54 -2.03 0.00 0.00 175.02 174.46 1jkn s ASN 23 N -2.83 5.53 0.40 -1.18 4.22 -0.72 -1.78 114.94 118.59 1jkn s ASN 23 Ca 0.13 -0.50 0.24 0.00 -2.14 0.00 0.00 52.86 50.59 1jkn s ASN 23 Cb -0.01 -0.54 1.30 0.00 1.28 0.00 0.00 41.25 43.28 1jkn s ASN 23 CO 0.02 -0.82 1.71 -1.13 -2.04 0.00 0.00 177.10 174.85 1jkn h ASN 24 N 0.63 0.00 -0.02 3.54 -0.73 -1.92 0.36 115.58 117.43 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1jkn h ASN 24 CO 0.46 0.00 0.00 0.47 -0.37 0.00 0.00 177.43 177.99 1jkn n ASP 25 N -2.39 1.37 -0.34 1.15 8.00 -1.26 -4.91 116.55 118.17 1jkn n ASP 25 Ca -0.02 -1.47 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1jkn n ASP 25 Cb 0.13 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.07 -0.25 -2.95 -1.24 5.02 0.13 -5.05 118.16 113.89 1jkn n LYS 26 Ca 0.19 0.27 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1jkn n LYS 26 Cb 0.33 -3.94 0.02 0.00 -0.02 0.00 0.00 35.03 31.42 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 -3.69 2.70 -0.22 1.97 1.02 -1.25 -4.78 119.74 115.50 1jkn s LYS 27 Ca 0.00 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.72 1jkn s LYS 27 Cb 0.00 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1jkn s LYS 27 CO 0.00 -0.43 -0.01 0.42 -0.92 0.00 0.00 175.35 174.41 1jkn s ILE 28 N -2.47 3.71 -0.27 2.17 1.09 0.25 -1.75 121.20 123.93 1jkn s ILE 28 Ca 0.56 -0.38 -0.32 0.00 -1.10 0.00 0.00 60.65 59.41 1jkn s ILE 28 Cb -0.09 -2.69 -0.08 0.00 -1.06 0.00 0.00 42.46 38.53 1jkn s ILE 28 CO 0.35 0.41 2.19 0.33 -0.10 0.00 0.00 174.94 178.12 1jkn n PHE 29 N 4.68 1.81 -5.05 3.97 7.35 0.32 -2.96 117.46 127.58 1jkn n PHE 29 Ca -0.17 0.07 -0.32 0.00 -0.76 0.00 0.00 57.45 56.26 1jkn n PHE 29 Cb 0.51 -2.63 -0.15 0.00 0.35 0.00 0.00 39.48 37.56 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 7.65 2.45 -0.02 3.13 0.00 -0.36 -4.66 121.76 129.95 1jkn s ALA 30 Ca 1.05 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1jkn s ALA 30 Cb -0.60 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1jkn s ALA 30 CO 0.42 0.48 -0.22 0.00 0.00 0.00 0.00 175.76 176.45 1jkn s ALA 31 N -0.46 1.81 0.52 0.00 0.00 0.77 0.87 121.76 125.27 1jkn s ALA 31 Ca 0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1jkn s ALA 31 Cb -0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 1jkn s ALA 31 CO 0.01 0.44 0.93 -1.54 0.00 0.00 0.00 175.76 175.60 1jkn s SER 32 N -0.50 6.44 0.68 0.00 1.04 0.33 -0.24 113.70 121.45 1jkn s SER 32 Ca 0.08 1.35 -0.13 0.00 0.48 0.00 0.00 55.95 57.74 1jkn s SER 32 Cb -0.08 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO -0.01 -0.63 1.07 -0.13 0.98 0.00 0.00 173.24 174.52 1jkn s ARG 33 N -4.44 2.89 0.00 4.02 0.52 0.42 -2.96 118.95 119.40 1jkn s ARG 33 Ca 0.55 1.13 0.26 0.00 -0.52 0.00 0.00 55.73 57.15 1jkn s ARG 33 Cb -0.10 -1.98 0.69 0.00 0.52 0.00 0.00 34.95 34.08 1jkn s ARG 33 CO 0.40 -1.15 1.53 1.28 0.02 0.00 0.00 175.30 177.38 1jkn n LEU 34 N -2.79 0.96 0.00 2.53 4.77 -1.03 -4.23 117.00 117.22 1jkn n LEU 34 Ca 0.09 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1jkn n LEU 34 Cb 0.53 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1jkn n LEU 34 CO 0.52 0.19 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.96 1jkn n ASP 35 N -0.79 1.34 -4.07 -1.43 2.03 -1.26 -4.98 116.55 107.39 1jkn n ASP 35 Ca 0.11 -0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.03 1jkn n ASP 35 Cb 0.35 0.41 -0.15 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.67 2.35 0.19 5.18 1.01 -1.26 -5.09 121.20 122.91 1jkn s ILE 36 Ca 0.00 -1.88 -0.32 0.00 0.00 0.00 0.00 60.65 58.45 1jkn s ILE 36 Cb 0.00 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.84 1jkn s ILE 36 CO 0.00 -0.27 1.72 -2.84 0.00 0.00 0.00 174.94 173.55 1jkn s PRO 37 N 1.05 4.14 0.00 2.79 0.02 -1.26 -1.43 135.00 140.30 1jkn s PRO 37 Ca -0.01 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1jkn s PRO 37 Cb -0.20 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.14 1jkn s PRO 37 CO -0.06 -0.75 0.00 -3.47 -0.33 0.00 0.00 177.00 172.39 1jkn n ASP 38 N 4.32 -0.27 -4.47 2.53 2.03 -1.26 -4.97 116.55 114.45 1jkn n ASP 38 Ca 0.16 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.04 1jkn n ASP 38 Cb 0.36 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 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 -3.76 3.07 0.16 -1.67 0.00 -0.52 -4.96 121.76 114.08 1jkn s ALA 39 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 51.96 50.04 1jkn s ALA 39 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1jkn s ALA 39 CO 0.00 -2.95 0.25 -1.58 0.00 0.00 0.00 175.76 171.48 1jkn s TRP 40 N 4.16 3.40 0.12 0.00 0.52 -1.26 0.16 118.94 126.03 1jkn s TRP 40 Ca 0.27 0.08 -0.15 0.00 0.02 0.00 0.00 56.10 56.32 1jkn s TRP 40 Cb -0.12 -1.62 0.05 0.00 -1.15 0.00 0.00 33.47 30.63 1jkn s TRP 40 CO 0.06 0.52 0.73 0.00 0.02 0.00 0.00 176.95 178.28 1jkn n GLN 41 N -0.52 0.43 -4.02 4.98 -0.00 0.67 -4.49 117.38 114.43 1jkn n GLN 41 Ca -0.07 -1.00 -0.24 0.00 -0.00 0.00 0.00 57.00 55.69 1jkn n GLN 41 Cb 0.54 1.36 -0.04 0.00 -0.00 0.00 0.00 30.24 32.11 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1jkn s MET 42 N -2.03 3.19 -0.07 2.61 -1.94 -1.26 -0.16 119.30 119.63 1jkn s MET 42 Ca 0.16 -0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 53.05 1jkn s MET 42 Cb -0.02 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 1jkn s MET 42 CO 0.04 0.47 1.47 -1.25 -0.01 0.00 0.00 175.02 175.73 1jkn s PRO 43 N -3.48 4.22 0.26 2.03 0.04 -1.26 -4.94 135.00 131.87 1jkn s PRO 43 Ca 0.33 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.43 1jkn s PRO 43 Cb -0.10 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1jkn s PRO 43 CO 0.27 -0.73 -0.14 -0.65 0.04 0.00 0.00 177.00 175.78 1jkn s GLN 44 N 3.44 1.56 -0.27 4.56 -0.21 -1.26 -1.28 119.66 126.20 1jkn s GLN 44 Ca 0.65 -1.74 -0.23 0.00 0.02 0.00 0.00 55.36 54.06 1jkn s GLN 44 Cb -0.29 -1.43 0.07 0.00 1.00 0.00 0.00 33.01 32.36 1jkn s GLN 44 CO 0.24 0.20 0.70 0.20 -2.12 0.00 0.00 175.29 174.51 1jkn s GLY 45 N -3.45 -0.54 0.08 3.09 0.00 -0.42 -4.89 107.32 101.19 1jkn s GLY 45 Ca 0.28 2.04 -0.31 0.00 0.00 0.00 0.00 44.72 46.73 1jkn s GLY 45 CO 0.12 1.80 1.35 -0.32 0.00 0.00 0.00 173.10 176.06 1jkn s GLY 46 N 0.54 2.04 0.87 0.20 0.00 -1.26 0.72 107.32 110.42 1jkn s GLY 46 Ca -0.01 1.02 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 1jkn s GLY 46 CO -0.02 2.32 1.16 -0.42 0.00 0.00 0.00 173.10 176.14 1jkn s ILE 47 N 1.34 2.15 0.25 0.90 1.01 -1.12 -4.84 121.20 120.89 1jkn s ILE 47 Ca 0.63 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 1jkn s ILE 47 Cb -0.34 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 1jkn s ILE 47 CO 0.29 -0.06 0.58 -1.81 0.00 0.00 0.00 174.94 173.94 1jkn s ASP 48 N -2.55 6.63 -0.70 3.58 1.01 -1.26 -4.89 116.67 118.49 1jkn s ASP 48 Ca 0.68 0.96 -0.27 0.00 0.71 0.00 0.00 52.55 54.63 1jkn s ASP 48 Cb -0.24 -2.24 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 1jkn s ASP 48 CO 0.55 -0.10 2.51 -0.62 0.21 0.00 0.00 175.17 177.72 1jkn n GLU 49 N -0.24 0.63 -1.77 8.23 4.71 -1.26 0.22 120.64 131.15 1jkn n GLU 49 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 1jkn n GLU 49 Cb 0.53 -2.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.24 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkn n GLY 50 N 6.20 0.93 3.52 0.62 0.00 -1.26 -5.08 105.19 110.13 1jkn n GLY 50 Ca 0.48 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.59 2.08 0.32 1.61 2.12 0.13 -5.12 118.70 116.26 1jkn s GLU 51 Ca 0.00 -1.01 -0.27 0.00 0.36 0.00 0.00 54.97 54.04 1jkn s GLU 51 Cb 0.00 -2.25 -0.09 0.00 0.26 0.00 0.00 34.13 32.05 1jkn s GLU 51 CO 0.00 0.52 1.04 -0.51 -0.54 0.00 0.00 175.26 175.77 1jkn s ASP 52 N -1.88 7.16 0.09 -1.70 1.11 -1.26 -4.72 116.67 115.46 1jkn s ASP 52 Ca 0.18 2.10 -0.33 0.00 0.18 0.00 0.00 52.55 54.67 1jkn s ASP 52 Cb -0.11 -2.61 -0.15 0.00 1.07 0.00 0.00 42.92 41.12 1jkn s ASP 52 CO 0.10 -0.21 1.60 -0.65 1.18 0.00 0.00 175.17 177.19 1jkn h PRO 53 N 3.35 -0.86 -0.08 8.23 0.11 -1.96 1.03 132.00 141.82 1jkn h PRO 53 Ca -0.47 0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.72 1jkn h PRO 53 Cb 1.21 0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.51 1jkn h PRO 53 CO 0.65 -0.57 0.10 -0.09 -0.21 0.00 0.00 178.00 177.88 1jkn h ARG 54 N -0.89 0.00 0.12 1.05 2.43 -1.94 0.12 114.38 115.27 1jkn h ARG 54 Ca -0.05 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.81 1jkn h ARG 54 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1jkn h ARG 54 CO -0.02 0.00 -1.63 -0.91 -1.51 0.00 0.00 179.97 175.90 1jkn h ASN 55 N 0.00 0.38 -0.14 -3.80 4.21 -1.80 -2.96 115.58 111.47 1jkn h ASN 55 Ca 0.04 -0.86 -0.03 0.00 1.21 0.00 0.00 56.30 56.66 1jkn h ASN 55 Cb 0.23 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1jkn h ASN 55 CO -0.00 1.71 0.02 0.00 -1.29 0.00 0.00 177.43 177.87 1jkn h ALA 56 N -0.04 1.62 0.10 -0.83 0.00 0.18 0.25 119.26 120.53 1jkn h ALA 56 Ca -0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jkn h ALA 56 Cb 1.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1jkn h ALA 56 CO 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.55 1jkn h ALA 57 N 1.70 -0.13 -0.31 0.00 0.00 -0.91 0.92 119.26 120.53 1jkn h ALA 57 Ca 0.08 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jkn h ALA 57 Cb 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jkn h ALA 57 CO 0.00 -0.27 0.23 0.82 0.00 0.00 0.00 179.25 180.03 1jkn h ILE 58 N -0.75 0.82 0.00 0.00 2.04 -1.32 0.56 117.51 118.86 1jkn h ILE 58 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jkn h ILE 58 Cb 0.56 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1jkn h ILE 58 CO 0.02 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.95 1jkn h ARG 59 N 0.00 0.00 -0.63 2.37 2.43 -0.87 -3.28 114.38 114.40 1jkn h ARG 59 Ca 0.15 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1jkn h ARG 59 Cb 0.60 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1jkn h ARG 59 CO -0.00 0.72 0.30 0.93 -1.51 0.00 0.00 179.97 180.41 1jkn h GLU 60 N -1.00 0.53 -0.10 0.20 4.39 0.16 -2.47 114.58 116.29 1jkn h GLU 60 Ca -0.03 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1jkn h GLU 60 Cb 0.77 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 1jkn h GLU 60 CO -0.02 0.35 -0.14 1.25 -1.16 0.00 0.00 179.01 179.29 1jkn h LEU 61 N 0.55 -0.44 -1.02 1.33 5.85 -0.04 0.28 115.31 121.81 1jkn h LEU 61 Ca 0.30 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1jkn h LEU 61 Cb 0.28 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1jkn h LEU 61 CO -0.24 -0.19 0.00 -1.14 -0.34 0.00 0.00 178.44 176.53 1jkn n ARG 62 N -5.29 0.11 -0.04 1.25 0.63 -0.99 0.61 116.66 112.95 1jkn n ARG 62 Ca -0.03 0.57 -0.21 0.00 -0.92 0.00 0.00 57.85 57.25 1jkn n ARG 62 Cb 0.20 -1.84 -0.13 0.00 0.45 0.00 0.00 32.46 31.14 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 -2.08 0.70 0.01 -0.14 1.02 0.72 -2.36 120.64 118.51 1jkn n GLU 63 Ca -0.01 0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 57.41 1jkn n GLU 63 Cb 0.06 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.69 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.66 0.63 0.00 3.49 1.02 0.26 -3.10 120.64 119.28 1jkn n GLU 64 Ca -0.35 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1jkn n GLU 64 Cb 0.97 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jkn n THR 65 N -2.92 0.00 -0.96 2.62 -2.24 0.20 -4.06 114.28 106.92 1jkn n THR 65 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jkn n THR 65 Cb 0.91 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 2.40 0.29 3.60 3.38 0.00 -0.21 0.14 105.19 114.79 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 -1.67 3.32 -0.11 1.61 1.01 -1.25 -4.70 120.40 118.61 1jkn s VAL 67 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1jkn s VAL 67 Cb 0.00 -3.42 -0.24 0.00 0.00 0.00 0.00 36.38 32.73 1jkn s VAL 67 CO 0.00 -0.25 0.38 0.35 0.00 0.00 0.00 175.10 175.58 1jkn n THR 68 N 7.43 1.64 -2.77 3.92 -2.24 -1.26 -4.27 114.28 116.72 1jkn n THR 68 Ca 0.25 -0.73 -0.44 0.00 -2.27 0.00 0.00 64.05 60.87 1jkn n THR 68 Cb 0.46 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -3.20 5.23 -3.71 3.42 7.64 -1.26 -4.90 113.62 116.84 1jkn n SER 69 Ca -0.28 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.45 1jkn n SER 69 Cb 1.06 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 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 0.93 -0.85 -0.02 -0.43 0.00 -1.26 0.11 121.76 120.24 1jkn s ALA 70 Ca 0.41 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1jkn s ALA 70 CO 0.00 -0.27 -0.24 -1.83 0.00 0.00 0.00 175.76 173.42 1jkn s GLU 71 N 1.42 2.15 -0.05 0.00 -1.05 -0.26 -4.84 118.70 116.07 1jkn s GLU 71 Ca -0.09 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 1jkn s GLU 71 Cb -0.09 -2.09 -0.05 0.00 -0.44 0.00 0.00 34.13 31.46 1jkn s GLU 71 CO -0.11 0.57 1.52 0.08 0.95 0.00 0.00 175.26 178.26 1jkn s VAL 72 N -0.64 3.71 -0.10 1.83 1.01 -1.25 0.22 120.40 125.18 1jkn s VAL 72 Ca 0.10 0.94 0.21 0.00 0.00 0.00 0.00 61.98 63.24 1jkn s VAL 72 Cb -0.10 -3.61 -0.26 0.00 0.00 0.00 0.00 36.38 32.41 1jkn s VAL 72 CO -0.01 -0.06 0.52 -0.38 0.00 0.00 0.00 175.10 175.18 1jkn n ILE 73 N 5.20 0.42 -3.66 2.22 5.41 -0.88 -4.86 119.36 123.21 1jkn n ILE 73 Ca 0.15 -0.58 -0.07 0.00 1.00 0.00 0.00 62.75 63.25 1jkn n ILE 73 Cb 0.43 -0.19 -0.02 0.00 -0.71 0.00 0.00 39.64 39.16 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jkn s ALA 74 N -3.28 -1.56 -0.16 -1.39 0.00 -1.25 -4.97 121.76 109.16 1jkn s ALA 74 Ca -0.07 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1jkn s ALA 74 Cb 0.12 0.71 0.07 0.00 0.00 0.00 0.00 23.12 24.02 1jkn s ALA 74 CO 0.87 -0.91 0.33 -1.83 0.00 0.00 0.00 175.76 174.22 1jkn s GLU 75 N -3.53 0.23 0.09 0.00 -1.05 -1.26 0.90 118.70 114.08 1jkn s GLU 75 Ca 0.08 0.84 -0.33 0.00 -0.15 0.00 0.00 54.97 55.41 1jkn s GLU 75 Cb -0.02 0.10 -0.12 0.00 -0.44 0.00 0.00 34.13 33.64 1jkn s GLU 75 CO -0.02 -0.26 1.75 0.28 0.95 0.00 0.00 175.26 177.96 1jkn n VAL 76 N 5.24 0.26 0.32 1.83 0.31 -0.88 -4.84 118.33 120.57 1jkn n VAL 76 Ca -0.09 -0.05 0.20 0.00 -0.01 0.00 0.00 64.34 64.39 1jkn n VAL 76 Cb 0.50 -1.84 1.09 0.00 -0.91 0.00 0.00 33.84 32.68 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 7.64 0.00 0.00 5.55 0.13 -1.98 -3.44 132.00 139.90 1jkn h PRO 77 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1jkn h PRO 77 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1jkn h PRO 77 CO 0.93 0.00 -0.26 2.48 -0.23 0.00 0.00 178.00 180.91 1jkn n TYR 78 N -2.95 0.54 -4.07 1.56 0.18 -1.26 -4.92 117.16 106.24 1jkn n TYR 78 Ca -0.03 -1.40 -0.32 0.00 1.88 0.00 0.00 57.90 58.04 1jkn n TYR 78 Cb 0.12 -0.15 -0.07 0.00 -0.38 0.00 0.00 39.34 38.87 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 -2.09 3.26 -0.28 -3.48 0.52 0.40 -4.61 118.94 112.66 1jkn s TRP 79 Ca 0.02 0.15 -0.09 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 79 Cb 0.00 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1jkn s TRP 79 CO 0.02 0.54 0.12 -0.51 0.02 0.00 0.00 176.95 177.14 1jkn s LEU 80 N -2.08 3.81 -0.07 2.99 2.01 0.32 -0.14 118.68 125.53 1jkn s LEU 80 Ca 0.27 -0.32 0.05 0.00 0.01 0.00 0.00 54.13 54.14 1jkn s LEU 80 Cb -0.12 -1.98 -0.01 0.00 0.01 0.00 0.00 46.19 44.09 1jkn s LEU 80 CO 0.18 -0.11 -0.25 0.42 1.01 0.00 0.00 176.35 177.61 1jkn s THR 81 N 1.63 2.06 0.27 5.49 -4.23 -1.26 -0.13 115.64 119.47 1jkn s THR 81 Ca 0.06 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1jkn s THR 81 Cb -0.16 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 1jkn s THR 81 CO 0.06 0.57 0.10 -0.72 -0.54 0.00 0.00 174.62 174.08 1jkn s TYR 82 N -0.01 1.58 0.27 3.99 1.13 -1.26 -4.81 117.35 118.25 1jkn s TYR 82 Ca -0.08 -1.17 0.10 0.00 -1.41 0.00 0.00 57.07 54.51 1jkn s TYR 82 Cb -0.15 -0.94 -0.05 0.00 -1.10 0.00 0.00 41.96 39.72 1jkn s TYR 82 CO 0.05 -0.31 -0.16 0.34 -2.51 0.00 0.00 175.55 172.96 1jkn s ASP 83 N -3.34 3.31 0.00 -0.18 2.15 -1.26 -3.65 116.67 113.71 1jkn s ASP 83 Ca 0.37 -1.07 0.03 0.00 0.43 0.00 0.00 52.55 52.32 1jkn s ASP 83 Cb 0.08 -0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.40 1jkn s ASP 83 CO 0.14 -0.08 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.63 1jkn s PHE 84 N -2.67 2.87 1.11 -5.34 0.08 -1.24 -4.92 117.98 107.86 1jkn s PHE 84 Ca 0.29 -0.05 -0.14 0.00 0.12 0.00 0.00 56.93 57.15 1jkn s PHE 84 Cb -0.02 -1.61 0.25 0.00 -0.57 0.00 0.00 43.02 41.07 1jkn s PHE 84 CO 0.13 0.36 1.07 -1.25 -0.10 0.00 0.00 175.22 175.43 1jkn s PRO 85 N -1.39 -0.47 0.43 0.24 0.04 -1.26 -4.46 135.00 128.12 1jkn s PRO 85 Ca 0.17 0.48 0.29 0.00 0.04 0.00 0.00 61.00 61.97 1jkn s PRO 85 Cb -0.11 -1.64 1.54 0.00 0.04 0.00 0.00 34.50 34.33 1jkn s PRO 85 CO 0.07 -3.33 1.89 -1.00 0.04 0.00 0.00 177.00 174.67 1jkn h PRO 86 N -2.32 0.00 0.07 0.56 0.13 -2.00 0.35 132.00 128.79 1jkn h PRO 86 Ca -0.55 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.24 1jkn h PRO 86 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.51 0.00 -1.94 1.63 -0.23 0.00 0.00 178.00 177.97 1jkn n LYS 87 N -2.53 0.71 -0.04 0.86 5.02 -1.26 -3.01 118.16 117.91 1jkn n LYS 87 Ca -0.02 0.26 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 1jkn n LYS 87 Cb 0.07 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.23 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jkn h VAL 88 N 0.04 1.67 0.03 -0.18 2.07 -1.69 -1.98 116.25 116.20 1jkn h VAL 88 Ca -0.39 -2.21 0.02 0.00 0.82 0.00 0.00 66.70 64.94 1jkn h VAL 88 Cb 2.03 3.15 -0.03 0.00 -1.52 0.00 0.00 31.29 34.92 1jkn h VAL 88 CO 0.07 0.59 -0.15 -0.09 0.02 0.00 0.00 177.57 178.02 1jkn h ARG 89 N -0.76 -0.25 0.00 1.57 9.65 -0.53 1.11 114.38 125.17 1jkn h ARG 89 Ca -0.03 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1jkn h ARG 89 Cb 1.07 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1jkn h ARG 89 CO 0.04 -0.17 -0.07 1.49 2.80 0.00 0.00 179.97 184.06 1jkn h GLU 90 N -0.26 0.00 0.11 0.20 4.81 -1.65 -0.27 114.58 117.52 1jkn h GLU 90 Ca 0.04 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 1jkn h GLU 90 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jkn h GLU 90 CO -0.12 0.07 -1.11 -0.22 -0.73 0.00 0.00 179.01 176.89 1jkn h LYS 91 N 0.00 0.23 -0.27 1.92 3.11 -0.38 -3.34 116.57 117.84 1jkn h LYS 91 Ca -0.00 -0.40 -0.01 0.00 -2.81 0.00 0.00 60.65 57.43 1jkn h LYS 91 Cb 0.15 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1jkn h LYS 91 CO 0.01 1.19 0.12 -0.07 -2.81 0.00 0.00 179.45 177.89 1jkn h LEU 92 N -0.41 0.36 -1.87 5.20 3.38 0.15 0.72 115.31 122.84 1jkn h LEU 92 Ca -0.23 -0.13 0.35 0.00 0.09 0.00 0.00 57.88 57.96 1jkn h LEU 92 Cb 1.65 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.24 1jkn h LEU 92 CO 0.07 0.39 0.87 0.78 0.09 0.00 0.00 178.44 180.64 1jkn h ASN 93 N 0.30 0.09 0.01 -0.43 4.21 -1.12 1.67 115.58 120.31 1jkn h ASN 93 Ca 0.09 0.02 -0.39 0.00 1.21 0.00 0.00 56.30 57.23 1jkn h ASN 93 Cb 0.13 0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.29 1jkn h ASN 93 CO -0.01 0.00 -2.19 -0.38 -1.29 0.00 0.00 177.43 173.56 1jkn n ILE 94 N -4.26 1.55 0.23 2.81 -0.00 -0.84 -2.78 119.36 116.07 1jkn n ILE 94 Ca 0.28 -0.36 -0.12 0.00 -0.00 0.00 0.00 62.75 62.55 1jkn n ILE 94 Cb 1.26 -1.83 -0.06 0.00 -0.00 0.00 0.00 39.64 39.01 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 -0.74 -0.61 0.02 0.38 1.08 0.13 -3.31 115.11 112.07 1jkn h GLN 95 Ca -0.58 0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 56.46 1jkn h GLN 95 Cb 1.63 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.18 1jkn h GLN 95 CO -0.28 -0.33 -0.93 -1.49 -0.95 0.00 0.00 178.83 174.85 1jkn h TRP 96 N -1.07 0.22 -1.11 2.96 4.06 0.20 -3.48 115.95 117.73 1jkn h TRP 96 Ca -0.06 -0.13 -0.06 0.00 2.06 0.00 0.00 58.89 60.70 1jkn h TRP 96 Cb 0.57 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.01 0.99 -0.08 0.41 -3.56 0.00 0.00 178.44 176.21 1jkn n GLY 97 N 1.02 0.54 3.19 1.49 0.00 0.15 -4.97 105.19 106.61 1jkn n GLY 97 Ca -0.03 -0.65 -0.16 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 -2.97 1.64 -0.45 1.61 0.01 -1.24 -4.98 113.70 107.33 1jkn s SER 98 Ca 0.05 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.59 1jkn s SER 98 Cb -0.02 -0.03 0.43 0.00 0.21 0.00 0.00 66.02 66.61 1jkn s SER 98 CO 0.06 -0.18 1.27 -0.90 0.41 0.00 0.00 173.24 173.89 1jkn n ASP 99 N 0.75 5.19 -4.90 2.44 5.68 -1.26 -3.64 116.55 120.81 1jkn n ASP 99 Ca -0.17 -3.74 -0.31 0.00 -0.50 0.00 0.00 54.79 50.06 1jkn n ASP 99 Cb 0.57 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.99 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1jkn s TRP 100 N -3.62 3.47 0.28 2.11 0.52 -1.26 -5.00 118.94 115.43 1jkn s TRP 100 Ca 0.50 0.57 0.09 0.00 0.02 0.00 0.00 56.10 57.28 1jkn s TRP 100 Cb 0.41 -2.02 0.37 0.00 -1.15 0.00 0.00 33.47 31.09 1jkn s TRP 100 CO -0.14 0.40 1.63 0.87 0.02 0.00 0.00 176.95 179.73 1jkn h LYS 101 N 2.69 0.07 0.00 4.98 6.56 -1.60 -3.49 116.57 125.78 1jkn h LYS 101 Ca -0.46 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1jkn h LYS 101 Cb 1.17 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.72 0.63 0.00 0.41 -2.06 0.00 0.00 179.45 179.15 1jkn n GLY 102 N 0.15 0.63 3.32 3.86 0.00 -1.21 -3.66 105.19 108.28 1jkn n GLY 102 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 4.39 0.52 -0.54 1.61 -2.07 -1.24 -2.78 119.66 119.53 1jkn s GLN 103 Ca 0.00 1.12 -0.23 0.00 -1.82 0.00 0.00 55.36 54.42 1jkn s GLN 103 Cb 0.00 0.52 0.04 0.00 -1.09 0.00 0.00 33.01 32.48 1jkn s GLN 103 CO 0.00 -0.43 0.89 0.00 -1.32 0.00 0.00 175.29 174.44 1jkn s ALA 104 N 2.81 3.19 0.05 2.60 0.00 -0.92 -3.98 121.76 125.51 1jkn s ALA 104 Ca 0.07 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.81 1jkn s ALA 104 Cb -0.14 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1jkn s ALA 104 CO -0.19 -2.33 -0.22 1.14 0.00 0.00 0.00 175.76 174.16 1jkn s GLN 105 N 3.75 1.51 -0.62 0.00 -2.07 0.82 -3.19 119.66 119.86 1jkn s GLN 105 Ca 0.28 -1.00 -0.18 0.00 -1.82 0.00 0.00 55.36 52.64 1jkn s GLN 105 Cb -0.13 -1.65 0.12 0.00 -1.09 0.00 0.00 33.01 30.25 1jkn s GLN 105 CO 0.18 0.42 0.70 0.15 -1.32 0.00 0.00 175.29 175.43 1jkn s LYS 106 N -1.22 3.11 0.42 9.60 -0.14 -1.16 0.12 119.74 130.47 1jkn s LYS 106 Ca 0.09 -1.49 -0.25 0.00 -1.36 0.00 0.00 55.97 52.95 1jkn s LYS 106 Cb -0.09 -4.32 -0.08 0.00 -1.68 0.00 0.00 37.83 31.66 1jkn s LYS 106 CO 0.02 -1.51 1.28 -1.58 -0.76 0.00 0.00 175.35 172.80 1jkn s TRP 107 N 2.33 2.80 -0.03 3.18 0.52 -1.26 -3.66 118.94 122.82 1jkn s TRP 107 Ca 0.12 1.43 0.04 0.00 0.02 0.00 0.00 56.10 57.71 1jkn s TRP 107 Cb -0.23 -3.62 -0.00 0.00 -1.15 0.00 0.00 33.47 28.46 1jkn s TRP 107 CO 0.04 -2.03 -0.13 -0.06 0.02 0.00 0.00 176.95 174.79 1jkn s PHE 108 N -1.31 1.30 0.53 -1.98 0.40 0.12 -2.07 117.98 114.97 1jkn s PHE 108 Ca 0.59 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 56.44 1jkn s PHE 108 Cb -0.36 -0.88 -0.07 0.00 0.51 0.00 0.00 43.02 42.22 1jkn s PHE 108 CO 0.46 -0.10 1.00 -1.17 0.70 0.00 0.00 175.22 176.11 1jkn s LEU 109 N -0.02 3.57 -0.09 -0.37 2.96 0.26 0.11 118.68 125.10 1jkn s LEU 109 Ca -0.01 1.58 -0.06 0.00 -0.22 0.00 0.00 54.13 55.43 1jkn s LEU 109 Cb -0.09 -4.51 0.04 0.00 0.50 0.00 0.00 46.19 42.14 1jkn s LEU 109 CO 0.01 -0.68 0.23 -0.36 -1.32 0.00 0.00 176.35 174.22 1jkn s PHE 110 N -2.66 -0.29 -0.30 5.38 0.40 0.63 -2.08 117.98 119.06 1jkn s PHE 110 Ca 0.59 0.70 -0.15 0.00 -0.60 0.00 0.00 56.93 57.47 1jkn s PHE 110 Cb -0.11 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.44 1jkn s PHE 110 CO 0.34 -0.19 0.36 0.21 0.70 0.00 0.00 175.22 176.64 1jkn s LYS 111 N 0.94 3.85 -0.06 0.44 2.47 0.60 0.25 119.74 128.23 1jkn s LYS 111 Ca -0.07 -0.15 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 1jkn s LYS 111 Cb -0.08 -3.71 -0.05 0.00 -1.46 0.00 0.00 37.83 32.53 1jkn s LYS 111 CO -0.06 -0.36 1.58 0.12 0.16 0.00 0.00 175.35 176.79 1jkn s PHE 112 N 2.04 2.18 -0.26 4.03 5.36 -0.73 -1.10 117.98 129.49 1jkn s PHE 112 Ca 0.13 0.35 0.09 0.00 -0.96 0.00 0.00 56.93 56.55 1jkn s PHE 112 Cb -0.16 -3.85 0.45 0.00 -0.34 0.00 0.00 43.02 39.13 1jkn s PHE 112 CO 0.11 -3.47 1.19 0.25 -1.46 0.00 0.00 175.22 171.84 1jkn n THR 113 N 5.36 2.31 -0.88 0.12 -2.24 0.30 -4.74 114.28 114.51 1jkn n THR 113 Ca 0.16 -3.83 0.00 0.00 -2.27 0.00 0.00 64.05 58.11 1jkn n THR 113 Cb 0.43 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.77 5.55 3.28 3.38 0.00 -1.21 -4.78 105.19 110.64 1jkn n GLY 114 Ca 0.35 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 3.68 1.13 0.45 1.61 -0.21 -1.26 -5.00 119.66 120.06 1jkn s GLN 115 Ca 0.00 -1.29 0.15 0.00 0.02 0.00 0.00 55.36 54.24 1jkn s GLN 115 Cb 0.00 -1.12 0.81 0.00 1.00 0.00 0.00 33.01 33.70 1jkn s GLN 115 CO 0.00 0.23 1.37 -0.44 -2.12 0.00 0.00 175.29 174.33 1jkn h ASP 116 N 3.49 0.00 1.36 5.90 5.19 -2.02 0.81 116.42 131.14 1jkn h ASP 116 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1jkn h ASP 116 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1jkn h ASP 116 CO 0.49 0.00 0.00 -0.61 -3.12 0.00 0.00 179.24 176.00 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 -0.00 -2.04 -3.07 115.11 113.55 1jkn h GLN 117 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 1jkn h GLN 117 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.33 1jkn h GLN 117 CO 0.00 0.00 -0.63 1.49 0.00 0.00 0.00 178.83 179.69 1jkn h GLU 118 N 0.00 0.00 -6.25 1.69 4.57 0.28 -3.43 114.58 111.44 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 0.68 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 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 -2.94 3.60 -0.40 2.32 1.01 -1.16 -3.80 121.20 119.82 1jkn s ILE 119 Ca 0.03 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1jkn s ILE 119 Cb 0.08 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.48 1jkn s ILE 119 CO 0.76 -1.01 0.14 0.20 0.00 0.00 0.00 174.94 175.03 1jkn s ASN 120 N 5.81 4.42 0.64 3.58 -0.87 0.37 -4.96 114.94 123.94 1jkn s ASN 120 Ca 0.60 -2.41 0.34 0.00 -1.57 0.00 0.00 52.86 49.82 1jkn s ASN 120 Cb -0.13 -1.48 1.86 0.00 -0.02 0.00 0.00 41.25 41.49 1jkn s ASN 120 CO 0.24 -0.33 2.09 -0.07 -2.57 0.00 0.00 177.10 176.47 1jkn h LEU 121 N 7.23 0.00 0.77 0.60 3.38 -1.75 -2.23 115.31 123.31 1jkn h LEU 121 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jkn h LEU 121 CO 0.56 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.65 1jkn h LEU 122 N 0.00 -0.87 0.00 1.67 3.38 -1.82 -3.28 115.31 114.39 1jkn h LEU 122 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jkn h LEU 122 Cb 0.46 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1jkn h LEU 122 CO -0.00 -0.54 0.00 0.61 0.09 0.00 0.00 178.44 178.60 1jkn n GLY 123 N -1.11 0.64 2.02 0.83 0.00 -0.84 -3.27 105.19 103.45 1jkn n GLY 123 Ca -0.14 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 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 6.52 -1.14 1.61 5.75 -1.11 -4.63 116.55 126.55 1jkn n ASP 124 Ca 0.00 -3.30 -0.11 0.00 -0.01 0.00 0.00 54.79 51.37 1jkn n ASP 124 Cb 0.00 -0.99 -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 -0.17 0.25 0.73 6.12 0.00 -1.26 -4.91 105.19 105.94 1jkn n GLY 125 Ca 0.42 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.01 0.30 -4.98 1.61 7.64 -1.26 -5.09 113.62 111.84 1jkn n SER 126 Ca -0.12 0.04 -0.20 0.00 1.01 0.00 0.00 58.87 59.60 1jkn n SER 126 Cb 0.54 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1jkn s GLU 127 N -1.28 3.10 0.42 1.43 -1.05 -1.26 -5.09 118.70 114.96 1jkn s GLU 127 Ca -0.02 -0.89 -0.23 0.00 -0.15 0.00 0.00 54.97 53.69 1jkn s GLU 127 Cb 0.00 -2.76 -0.09 0.00 -0.44 0.00 0.00 34.13 30.84 1jkn s GLU 127 CO 0.03 -0.02 1.02 0.15 0.95 0.00 0.00 175.26 177.39 1jkn s LYS 128 N -4.27 4.12 0.24 -4.83 -0.14 -1.26 -4.57 119.74 109.02 1jkn s LYS 128 Ca 0.46 1.39 -0.31 0.00 -1.36 0.00 0.00 55.97 56.15 1jkn s LYS 128 Cb -0.10 -2.39 -0.14 0.00 -1.68 0.00 0.00 37.83 33.52 1jkn s LYS 128 CO 0.33 -0.16 1.23 -2.30 -0.76 0.00 0.00 175.35 173.69 1jkn n PRO 129 N -0.34 1.60 -0.05 -1.68 -0.02 -1.20 -4.91 135.00 128.40 1jkn n PRO 129 Ca 0.06 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 62.07 1jkn n PRO 129 Cb 0.51 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.54 1.77 -4.46 -0.52 1.02 -1.24 -4.99 120.64 113.76 1jkn n GLU 130 Ca 0.12 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1jkn n GLU 130 Cb 0.30 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.39 2.26 -0.05 -0.32 0.08 -1.26 -2.45 117.98 113.85 1jkn s PHE 131 Ca -0.06 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.70 1jkn s PHE 131 Cb 0.04 -0.99 -0.08 0.00 -0.57 0.00 0.00 43.02 41.43 1jkn s PHE 131 CO 0.50 0.69 0.13 0.41 -0.10 0.00 0.00 175.22 176.85 1jkn n GLY 132 N -0.56 -0.10 3.61 4.36 0.00 -1.16 -4.62 105.19 106.73 1jkn n GLY 132 Ca -0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 1.84 0.00 1.61 0.41 -1.26 -5.01 118.70 114.08 1jkn s GLU 133 Ca -0.01 -1.47 -0.28 0.00 -0.41 0.00 0.00 54.97 52.80 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.95 1jkn s GLU 133 CO 0.22 -0.79 0.64 1.67 -0.49 0.00 0.00 175.26 176.51 1jkn s TRP 134 N -3.30 -0.60 0.07 1.61 1.48 -1.26 -0.51 118.94 116.42 1jkn s TRP 134 Ca 0.23 0.90 -0.11 0.00 -1.06 0.00 0.00 56.10 56.06 1jkn s TRP 134 Cb -0.02 0.43 0.01 0.00 -1.16 0.00 0.00 33.47 32.73 1jkn s TRP 134 CO 0.14 -0.66 0.23 -1.12 -4.06 0.00 0.00 176.95 171.48 1jkn s SER 135 N -1.57 0.01 -0.19 -2.66 0.01 0.25 -4.96 113.70 104.59 1jkn s SER 135 Ca -0.08 -0.43 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 1jkn s SER 135 Cb -0.00 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 1jkn s SER 135 CO 0.04 -0.66 0.47 0.26 0.41 0.00 0.00 173.24 173.76 1jkn s TRP 136 N -3.17 3.38 0.04 2.43 0.52 -1.26 -1.23 118.94 119.66 1jkn s TRP 136 Ca -0.01 0.72 0.02 0.00 0.02 0.00 0.00 56.10 56.85 1jkn s TRP 136 Cb 0.02 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1jkn s TRP 136 CO -0.07 -0.04 -0.07 0.14 0.02 0.00 0.00 176.95 176.93 1jkn s VAL 137 N 1.42 0.48 0.75 4.03 -7.23 -1.16 -4.87 120.40 113.81 1jkn s VAL 137 Ca 0.22 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1jkn s VAL 137 Cb -0.15 -0.68 0.04 0.00 0.56 0.00 0.00 36.38 36.16 1jkn s VAL 137 CO 0.09 -0.46 1.09 0.42 -0.31 0.00 0.00 175.10 175.93 1jkn s THR 138 N -1.67 3.36 0.47 5.32 -4.23 -1.26 0.86 115.64 118.49 1jkn s THR 138 Ca -0.08 0.47 0.31 0.00 -1.18 0.00 0.00 61.69 61.21 1jkn s THR 138 Cb -0.08 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.09 1jkn s THR 138 CO -0.01 -0.54 1.93 1.55 -0.54 0.00 0.00 174.62 177.01 1jkn h PRO 139 N -0.89 0.00 0.05 3.99 0.13 -1.91 0.22 132.00 133.59 1jkn h PRO 139 Ca -0.44 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 0.52 0.00 -1.89 0.39 -0.23 0.00 0.00 178.00 176.79 1jkn n GLU 140 N -2.75 0.68 -0.01 0.86 -0.58 -1.26 -3.56 120.64 114.03 1jkn n GLU 140 Ca -0.02 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.85 1jkn n GLU 140 Cb 0.24 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.27 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1jkn h GLN 141 N 0.03 -0.02 -0.56 3.49 1.08 -1.04 -2.78 115.11 115.31 1jkn h GLN 141 Ca -0.37 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.00 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 0.07 0.54 0.41 1.25 -0.95 0.00 0.00 178.83 180.15 1jkn h LEU 142 N -0.61 0.00 -1.09 1.46 5.85 -0.99 1.04 115.31 120.97 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 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1jkn h LEU 142 CO 0.00 0.00 -0.42 0.40 -0.34 0.00 0.00 178.44 178.09 1jkn h ILE 143 N 0.00 1.15 0.00 4.05 1.08 -1.57 -0.21 117.51 122.01 1jkn h ILE 143 Ca 0.27 -1.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1jkn h ILE 143 Cb 1.08 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 1jkn h ILE 143 CO -0.00 0.41 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.85 1jkn h ASP 144 N 0.00 0.00 0.27 1.72 3.58 0.14 -3.25 116.42 118.88 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 1jkn h ASP 144 Cb 0.81 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.88 1jkn h ASP 144 CO 0.05 0.24 -1.60 -0.07 -2.88 0.00 0.00 179.24 174.98 1jkn h LEU 145 N 0.00 0.67 -9.83 2.28 3.38 -0.68 -3.47 115.31 107.65 1jkn h LEU 145 Ca -0.00 -0.85 -0.50 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.18 -0.22 0.22 0.00 0.09 0.00 0.00 40.66 41.93 1jkn h LEU 145 CO 0.03 1.70 -0.61 0.41 0.09 0.00 0.00 178.44 180.06 1jkn n THR 146 N -3.62 0.00 -3.48 0.22 -1.04 -0.14 -4.54 114.28 101.68 1jkn n THR 146 Ca -0.20 -0.23 -0.21 0.00 -2.04 0.00 0.00 64.05 61.36 1jkn n THR 146 Cb 1.08 -0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.37 4.63 0.34 12.58 0.11 -1.26 -4.86 120.40 129.56 1jkn s VAL 147 Ca 0.59 -0.76 0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1jkn s VAL 147 Cb -0.19 -3.65 0.33 0.00 -1.53 0.00 0.00 36.38 31.34 1jkn s VAL 147 CO 0.66 -0.34 1.80 -0.33 -3.33 0.00 0.00 175.10 173.56 1jkn h GLU 148 N 0.83 0.64 -0.35 1.54 5.08 -1.96 0.48 114.58 120.84 1jkn h GLU 148 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jkn h GLU 148 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jkn h GLU 148 CO 0.58 0.42 0.00 1.97 -1.00 0.00 0.00 179.01 180.98 1jkn n PHE 149 N -4.68 0.46 -0.27 4.33 1.16 -1.26 -3.63 117.46 113.57 1jkn n PHE 149 Ca 0.22 -0.22 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1jkn n PHE 149 Cb 0.61 -0.02 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 0.40 1.40 0.28 3.97 5.02 0.13 -4.54 118.16 124.83 1jkn n LYS 150 Ca 0.11 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 1jkn n LYS 150 Cb 0.29 -0.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.84 -0.23 1.97 1.57 -0.61 -0.07 116.57 118.36 1jkn h LYS 151 Ca 0.00 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1jkn h LYS 151 Cb 0.13 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1jkn h LYS 151 CO 0.00 -0.56 0.11 -1.00 -0.57 0.00 0.00 179.45 177.43 1jkn h PRO 152 N -0.88 0.23 -0.20 3.15 0.13 -1.87 0.93 132.00 133.50 1jkn h PRO 152 Ca -0.06 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.11 1jkn h PRO 152 Cb 0.74 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1jkn h PRO 152 CO -0.00 0.15 0.18 0.28 -0.23 0.00 0.00 178.00 178.38 1jkn h VAL 153 N 0.24 0.61 0.00 1.56 2.07 -1.81 0.57 116.25 119.49 1jkn h VAL 153 Ca 0.09 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.43 1jkn h VAL 153 Cb 0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jkn h VAL 153 CO -0.06 0.00 -1.16 -1.22 0.02 0.00 0.00 177.57 175.14 1jkn n TYR 154 N -4.03 0.90 -0.22 1.57 4.02 -0.04 -3.75 117.16 115.60 1jkn n TYR 154 Ca 0.02 0.39 0.26 0.00 -0.01 0.00 0.00 57.90 58.56 1jkn n TYR 154 Cb 0.31 -1.00 0.65 0.00 -0.02 0.00 0.00 39.34 39.29 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 0.13 -0.26 -0.72 3.64 0.11 0.43 116.57 118.91 1jkn h LYS 155 Ca -0.28 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1jkn h LYS 155 Cb 1.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1jkn h LYS 155 CO -0.17 0.09 0.03 1.49 -2.27 0.00 0.00 179.45 178.62 1jkn h GLU 156 N 0.14 0.43 0.30 1.90 4.57 -1.05 0.90 114.58 121.77 1jkn h GLU 156 Ca 0.46 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1jkn h GLU 156 Cb 1.59 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1jkn h GLU 156 CO -0.08 0.57 -0.16 0.28 -1.18 0.00 0.00 179.01 178.44 1jkn h VAL 157 N 0.24 0.67 0.00 0.32 2.07 -0.29 0.18 116.25 119.43 1jkn h VAL 157 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jkn h VAL 157 Cb 0.35 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1jkn h VAL 157 CO 0.01 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.53 1jkn h LEU 158 N -0.43 -0.00 -0.68 2.57 3.38 -1.10 -0.38 115.31 118.67 1jkn h LEU 158 Ca -0.04 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.92 1jkn h LEU 158 Cb 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1jkn h LEU 158 CO 0.05 0.14 0.21 -1.28 0.09 0.00 0.00 178.44 177.65 1jkn h SER 159 N -0.14 0.14 0.73 -0.43 0.87 0.98 1.59 113.55 117.28 1jkn h SER 159 Ca -0.00 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1jkn h SER 159 Cb 0.14 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1jkn h SER 159 CO 0.00 0.06 -0.25 0.58 -0.53 0.00 0.00 176.83 176.69 1jkn h VAL 160 N 0.35 0.69 -0.55 2.23 2.07 -0.43 -2.59 116.25 118.02 1jkn h VAL 160 Ca 0.36 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jkn h VAL 160 Cb 0.54 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1jkn h VAL 160 CO -0.40 0.25 0.00 0.49 0.02 0.00 0.00 177.57 177.92 1jkn n PHE 161 N -3.53 0.72 0.02 1.57 3.72 0.13 -4.62 117.46 115.48 1jkn n PHE 161 Ca -0.01 -0.40 -0.12 0.00 -0.05 0.00 0.00 57.45 56.88 1jkn n PHE 161 Cb 0.40 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 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 4.00 -0.52 -0.46 4.37 0.00 0.25 0.51 119.26 127.40 1jkn h ALA 162 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1jkn h ALA 162 Cb 0.94 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1jkn h ALA 162 CO 0.00 -0.88 0.59 -1.00 0.00 0.00 0.00 179.25 177.97 1jkn h PRO 163 N -0.48 0.00 0.00 0.00 0.13 -1.81 0.69 132.00 130.53 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 -0.35 0.00 -1.41 0.72 -0.23 0.00 0.00 178.00 176.73 1jkn n HIS 164 N -3.47 0.38 0.32 1.56 8.25 -0.20 -5.23 115.22 116.84 1jkn n HIS 164 Ca 0.09 0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.70 1jkn n HIS 164 Cb 0.77 -0.61 0.03 0.00 1.12 0.00 0.00 29.99 31.30 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26