#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 2.38 -0.24 1.61 0.04 -1.26 -5.07 135.00 132.47 1jkn s PRO 2 Ca 0.00 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1jkn s PRO 2 Cb 0.00 -1.91 0.17 0.00 0.04 0.00 0.00 34.50 32.80 1jkn s PRO 2 CO 0.00 -1.55 1.24 -0.48 0.04 0.00 0.00 177.00 176.25 1jkn s LEU 3 N -5.75 -0.15 -1.56 -3.56 -0.00 -1.26 -4.98 118.68 101.43 1jkn s LEU 3 Ca 0.62 0.16 -0.02 0.00 -0.00 0.00 0.00 54.13 54.89 1jkn s LEU 3 Cb -0.17 1.35 0.01 0.00 -0.00 0.00 0.00 46.19 47.37 1jkn s LEU 3 CO 0.54 -0.14 0.16 0.61 -0.00 0.00 0.00 176.35 177.52 1jkn n GLY 4 N 0.58 -0.50 3.57 -3.48 0.00 -1.26 -4.94 105.19 99.15 1jkn n GLY 4 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jkn s SER 5 N -2.22 -0.95 0.00 1.61 1.04 -1.25 -4.61 113.70 107.32 1jkn s SER 5 Ca 0.09 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1jkn s SER 5 Cb -0.04 2.06 0.00 0.00 0.10 0.00 0.00 66.02 68.14 1jkn s SER 5 CO 0.11 -0.18 0.00 0.23 0.98 0.00 0.00 173.24 174.37 1jkn n MET 6 N 5.24 0.47 -1.37 4.02 2.81 -0.75 -4.95 117.12 122.59 1jkn n MET 6 Ca -0.11 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.73 1jkn n MET 6 Cb 0.51 -0.93 -0.01 0.00 -0.71 0.00 0.00 33.22 32.07 1jkn n MET 6 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1jkn n ASP 7 N -2.28 -3.17 0.00 7.83 -0.08 -1.26 -4.86 116.55 112.73 1jkn n ASP 7 Ca 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1jkn n ASP 7 Cb 0.43 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jkn n SER 8 N 1.24 0.00 -4.63 1.67 7.64 -1.26 -4.87 113.62 113.41 1jkn n SER 8 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 1jkn n SER 8 Cb 0.25 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jkn s PRO 9 N -0.81 3.84 0.00 1.43 0.04 -1.26 -4.82 135.00 133.42 1jkn s PRO 9 Ca 0.00 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 1jkn s PRO 9 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1jkn s PRO 9 CO 0.00 -1.22 0.01 -0.35 0.04 0.00 0.00 177.00 175.47 1jkn n PRO 10 N 7.51 0.41 -3.09 0.56 -0.04 -1.26 -5.09 135.00 134.00 1jkn n PRO 10 Ca 0.16 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.32 1jkn n PRO 10 Cb 0.46 -0.01 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jkn s GLU 11 N -2.60 3.66 0.00 0.54 2.02 -1.26 -4.22 118.70 116.84 1jkn s GLU 11 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1jkn s GLU 11 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1jkn s GLU 11 CO 0.00 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1jkn n GLY 12 N -1.27 2.76 3.64 -1.39 0.00 -1.26 -5.00 105.19 102.66 1jkn n GLY 12 Ca -0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.53 3.16 0.45 1.61 1.51 -1.26 -1.59 117.35 119.69 1jkn s TYR 13 Ca 0.00 0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 55.96 1jkn s TYR 13 Cb 0.00 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1jkn s TYR 13 CO 0.00 0.30 0.91 0.50 -1.11 0.00 0.00 175.55 176.16 1jkn s ARG 14 N -0.35 4.04 0.26 -0.62 3.52 -1.21 -4.57 118.95 120.02 1jkn s ARG 14 Ca 0.07 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.30 1jkn s ARG 14 Cb -0.12 -2.22 -0.10 0.00 -1.56 0.00 0.00 34.95 30.95 1jkn s ARG 14 CO 0.02 -0.10 1.37 1.03 -0.81 0.00 0.00 175.30 176.81 1jkn s ARG 15 N -3.58 4.32 0.06 5.12 0.52 -1.26 -2.66 118.95 121.47 1jkn s ARG 15 Ca 0.58 2.22 -0.17 0.00 -0.52 0.00 0.00 55.73 57.85 1jkn s ARG 15 Cb -0.10 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1jkn s ARG 15 CO 0.23 -0.32 0.38 -0.80 0.02 0.00 0.00 175.30 174.82 1jkn s ASN 16 N 0.11 -0.23 -0.10 0.23 -0.87 -1.20 -2.01 114.94 110.87 1jkn s ASN 16 Ca 0.56 -0.13 -0.00 0.00 -1.57 0.00 0.00 52.86 51.72 1jkn s ASN 16 Cb -0.40 0.42 0.02 0.00 -0.02 0.00 0.00 41.25 41.28 1jkn s ASN 16 CO 0.45 -0.70 -0.08 0.68 -2.57 0.00 0.00 177.10 174.88 1jkn s VAL 17 N -2.86 1.00 -0.05 1.60 -7.23 0.23 -2.72 120.40 110.37 1jkn s VAL 17 Ca -0.03 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 1jkn s VAL 17 Cb 0.00 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 1jkn s VAL 17 CO -0.05 0.36 0.30 -0.83 -0.31 0.00 0.00 175.10 174.57 1jkn s GLY 18 N 1.53 2.35 -0.38 2.32 0.00 -1.25 -2.20 107.32 109.70 1jkn s GLY 18 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 1jkn s GLY 18 CO -0.06 -0.08 0.15 -0.42 0.00 0.00 0.00 173.10 172.69 1jkn s ILE 19 N -1.07 3.12 -0.54 0.90 1.09 -0.07 -0.09 121.20 124.54 1jkn s ILE 19 Ca 0.21 -1.98 -0.22 0.00 -1.10 0.00 0.00 60.65 57.56 1jkn s ILE 19 Cb -0.15 -3.10 0.05 0.00 -1.06 0.00 0.00 42.46 38.21 1jkn s ILE 19 CO 0.10 -0.58 0.80 0.00 -0.10 0.00 0.00 174.94 175.15 1jkn s LEU 21 N 3.34 4.04 0.15 0.00 2.96 -1.26 0.23 118.68 128.14 1jkn s LEU 21 Ca 0.22 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1jkn s LEU 21 Cb -0.16 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1jkn s LEU 21 CO 0.15 0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 175.28 1jkn s MET 22 N -2.02 1.14 0.47 1.98 0.23 0.16 0.59 119.30 121.85 1jkn s MET 22 Ca 0.27 -1.39 0.08 0.00 -1.03 0.00 0.00 55.69 53.62 1jkn s MET 22 Cb -0.12 -0.96 0.03 0.00 -1.53 0.00 0.00 34.83 32.25 1jkn s MET 22 CO 0.18 0.17 0.64 0.54 -2.03 0.00 0.00 175.02 174.52 1jkn s ASN 23 N -2.84 5.49 0.52 -1.18 4.22 -0.89 -1.72 114.94 118.54 1jkn s ASN 23 Ca 0.15 -0.54 0.30 0.00 -2.14 0.00 0.00 52.86 50.63 1jkn s ASN 23 Cb -0.02 -0.39 1.64 0.00 1.28 0.00 0.00 41.25 43.76 1jkn s ASN 23 CO 0.04 -0.94 1.91 -1.13 -2.04 0.00 0.00 177.10 174.94 1jkn h ASN 24 N 0.49 0.00 -0.01 3.54 -1.24 -1.92 0.45 115.58 116.90 1jkn h ASN 24 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 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 0.44 0.00 -0.00 0.47 -1.29 0.00 0.00 177.43 177.04 1jkn n ASP 25 N -2.65 1.35 -0.31 1.15 9.92 -1.26 -4.91 116.55 119.83 1jkn n ASP 25 Ca -0.02 -1.44 -0.03 0.00 -0.53 0.00 0.00 54.79 52.77 1jkn n ASP 25 Cb 0.17 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 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 0.05 -0.24 -2.67 -1.24 5.02 0.16 -5.05 118.16 114.19 1jkn n LYS 26 Ca 0.19 0.36 -0.22 0.00 -2.02 0.00 0.00 58.31 56.63 1jkn n LYS 26 Cb 0.33 -4.02 0.08 0.00 -0.02 0.00 0.00 35.03 31.40 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 -3.30 2.02 -0.16 1.97 -0.14 -1.25 -4.79 119.74 114.09 1jkn s LYS 27 Ca 0.00 -1.10 -0.01 0.00 -1.36 0.00 0.00 55.97 53.50 1jkn s LYS 27 Cb 0.00 -2.43 -0.01 0.00 -1.68 0.00 0.00 37.83 33.71 1jkn s LYS 27 CO 0.00 -1.15 -0.11 0.42 -0.76 0.00 0.00 175.35 173.75 1jkn s ILE 28 N -2.96 3.07 -0.25 2.17 1.09 0.29 -2.09 121.20 122.52 1jkn s ILE 28 Ca 0.63 -0.63 -0.29 0.00 -1.10 0.00 0.00 60.65 59.26 1jkn s ILE 28 Cb -0.07 -2.32 -0.06 0.00 -1.06 0.00 0.00 42.46 38.95 1jkn s ILE 28 CO 0.42 0.50 2.23 0.33 -0.10 0.00 0.00 174.94 178.31 1jkn n PHE 29 N 3.96 1.89 -4.97 3.97 -0.00 0.20 -2.62 117.46 119.89 1jkn n PHE 29 Ca -0.18 -0.06 -0.33 0.00 -0.00 0.00 0.00 57.45 56.88 1jkn n PHE 29 Cb 0.52 -2.70 -0.16 0.00 -0.00 0.00 0.00 39.48 37.15 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 8.32 2.42 -0.04 3.13 0.00 -0.45 -4.60 121.76 130.55 1jkn s ALA 30 Ca 1.02 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.12 1jkn s ALA 30 Cb -0.41 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1jkn s ALA 30 CO 0.37 0.26 -0.23 0.00 0.00 0.00 0.00 175.76 176.16 1jkn s ALA 31 N 0.35 2.29 0.54 0.00 0.00 -0.23 0.99 121.76 125.70 1jkn s ALA 31 Ca -0.14 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 1jkn s ALA 31 Cb -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1jkn s ALA 31 CO 0.07 0.51 0.94 -1.54 0.00 0.00 0.00 175.76 175.74 1jkn s SER 32 N -0.54 6.39 0.69 0.00 1.04 0.04 -0.42 113.70 120.91 1jkn s SER 32 Ca 0.07 1.35 -0.12 0.00 0.48 0.00 0.00 55.95 57.73 1jkn s SER 32 Cb -0.11 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1jkn s SER 32 CO 0.00 -0.67 1.07 -0.13 0.98 0.00 0.00 173.24 174.49 1jkn s ARG 33 N -4.59 2.83 0.00 4.02 0.52 0.44 -2.54 118.95 119.64 1jkn s ARG 33 Ca 0.54 1.10 0.26 0.00 -0.52 0.00 0.00 55.73 57.11 1jkn s ARG 33 Cb -0.10 -1.97 0.61 0.00 0.52 0.00 0.00 34.95 34.00 1jkn s ARG 33 CO 0.43 -1.19 1.47 1.28 0.02 0.00 0.00 175.30 177.31 1jkn n LEU 34 N -2.94 1.11 0.00 2.53 4.77 -0.80 -4.16 117.00 117.52 1jkn n LEU 34 Ca 0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1jkn n LEU 34 Cb 0.53 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jkn n LEU 34 CO 0.53 0.21 -0.18 -0.90 -1.33 0.00 0.00 177.39 175.72 1jkn n ASP 35 N -0.66 1.77 -4.11 -1.43 5.75 -1.26 -4.98 116.55 111.63 1jkn n ASP 35 Ca 0.11 -0.05 -0.33 0.00 -0.01 0.00 0.00 54.79 54.51 1jkn n ASP 35 Cb 0.36 0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 40.76 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jkn s ILE 36 N -0.81 2.34 0.19 2.12 1.01 -1.26 -5.09 121.20 119.69 1jkn s ILE 36 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 58.92 1jkn s ILE 36 Cb 0.00 -2.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.08 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 1.18 4.24 0.00 2.79 0.04 -1.26 -1.93 135.00 140.06 1jkn s PRO 37 Ca -0.05 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jkn s PRO 37 Cb -0.18 -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 3.41 -1.43 -4.44 6.66 2.03 -1.26 -4.96 116.55 116.54 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.99 1jkn n ASP 38 Cb 0.39 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.81 3.21 0.17 -1.67 0.00 -0.81 -4.97 121.76 114.87 1jkn s ALA 39 Ca 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 51.96 49.88 1jkn s ALA 39 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1jkn s ALA 39 CO 0.00 -2.78 0.21 -1.58 0.00 0.00 0.00 175.76 171.61 1jkn s TRP 40 N 3.57 3.31 0.12 0.00 0.52 -1.26 0.17 118.94 125.36 1jkn s TRP 40 Ca 0.23 0.04 -0.26 0.00 0.02 0.00 0.00 56.10 56.13 1jkn s TRP 40 Cb -0.15 -1.58 0.08 0.00 -1.15 0.00 0.00 33.47 30.68 1jkn s TRP 40 CO 0.05 0.51 1.05 1.14 0.02 0.00 0.00 176.95 179.72 1jkn s GLN 41 N -3.24 1.03 0.28 4.98 -2.07 0.44 -4.43 119.66 116.64 1jkn s GLN 41 Ca 0.33 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 1jkn s GLN 41 Cb -0.10 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1jkn s GLN 41 CO 0.26 -0.47 0.47 -1.64 -1.32 0.00 0.00 175.29 172.59 1jkn s MET 42 N -2.89 3.50 0.08 9.60 -1.94 -1.26 -1.07 119.30 125.32 1jkn s MET 42 Ca 0.15 -0.37 -0.31 0.00 -1.71 0.00 0.00 55.69 53.45 1jkn s MET 42 Cb -0.00 -2.75 -0.07 0.00 2.01 0.00 0.00 34.83 34.02 1jkn s MET 42 CO 0.01 0.28 1.30 -1.25 -0.01 0.00 0.00 175.02 175.36 1jkn s PRO 43 N -3.87 4.37 0.03 2.03 0.04 -1.26 -4.96 135.00 131.38 1jkn s PRO 43 Ca 0.39 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.16 1jkn s PRO 43 Cb -0.10 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.16 1jkn s PRO 43 CO 0.32 -0.37 0.45 1.14 0.04 0.00 0.00 177.00 178.58 1jkn s GLN 44 N 1.22 0.93 0.24 4.56 -2.07 -1.26 -0.89 119.66 122.38 1jkn s GLN 44 Ca 0.62 -0.26 -0.17 0.00 -1.82 0.00 0.00 55.36 53.73 1jkn s GLN 44 Cb -0.33 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.02 1jkn s GLN 44 CO 0.29 -0.31 0.56 0.20 -1.32 0.00 0.00 175.29 174.71 1jkn s GLY 45 N -1.84 0.13 0.08 2.60 0.00 -0.93 -4.96 107.32 102.39 1jkn s GLY 45 Ca -0.07 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 1jkn s GLY 45 CO -0.00 -0.34 0.97 -0.32 0.00 0.00 0.00 173.10 173.40 1jkn s GLY 46 N -2.94 2.98 0.93 0.20 0.00 -1.26 0.74 107.32 107.97 1jkn s GLY 46 Ca 0.14 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.33 1jkn s GLY 46 CO 0.04 1.53 1.14 -0.42 0.00 0.00 0.00 173.10 175.39 1jkn s ILE 47 N 0.32 2.01 0.23 0.90 1.01 -0.85 -4.82 121.20 119.99 1jkn s ILE 47 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 1jkn s ILE 47 Cb -0.23 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.16 1jkn s ILE 47 CO 0.29 -0.01 0.57 -1.81 0.00 0.00 0.00 174.94 173.98 1jkn s ASP 48 N -2.64 6.67 -0.74 3.58 1.01 -1.26 -4.91 116.67 118.38 1jkn s ASP 48 Ca 0.67 0.98 -0.27 0.00 0.71 0.00 0.00 52.55 54.64 1jkn s ASP 48 Cb -0.23 -2.25 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 1jkn s ASP 48 CO 0.58 -0.06 2.51 -0.62 0.21 0.00 0.00 175.17 177.79 1jkn n GLU 49 N -0.03 0.53 -2.08 8.23 1.02 -1.26 0.30 120.64 127.36 1jkn n GLU 49 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1jkn n GLU 49 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 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 0.94 3.52 0.62 0.00 -1.26 -5.07 105.19 110.16 1jkn n GLY 50 Ca 0.51 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.16 2.20 0.28 1.61 2.56 0.15 -5.11 118.70 116.23 1jkn s GLU 51 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 54.97 53.75 1jkn s GLU 51 Cb 0.00 -2.29 -0.10 0.00 2.00 0.00 0.00 34.13 33.74 1jkn s GLU 51 CO 0.00 0.55 1.14 -0.51 -0.56 0.00 0.00 175.26 175.88 1jkn s ASP 52 N -1.60 7.18 0.12 -1.70 1.01 -1.26 -4.71 116.67 115.71 1jkn s ASP 52 Ca 0.17 2.33 -0.27 0.00 0.71 0.00 0.00 52.55 55.48 1jkn s ASP 52 Cb -0.11 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 1jkn s ASP 52 CO 0.08 -0.22 1.62 -0.65 0.21 0.00 0.00 175.17 176.21 1jkn h PRO 53 N 3.87 -0.47 0.00 8.23 0.11 -1.97 0.72 132.00 142.48 1jkn h PRO 53 Ca -0.47 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jkn h PRO 53 Cb 1.21 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jkn h PRO 53 CO 0.67 -0.31 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.05 1jkn h ARG 54 N -0.49 0.00 0.01 1.05 2.43 -1.93 -0.47 114.38 114.99 1jkn h ARG 54 Ca 0.05 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1jkn h ARG 54 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1jkn h ARG 54 CO -0.21 0.01 -0.39 -0.91 -1.51 0.00 0.00 179.97 176.96 1jkn h ASN 55 N 0.00 0.04 -0.18 -3.80 2.35 -1.68 -2.62 115.58 109.70 1jkn h ASN 55 Ca -0.00 -0.88 0.03 0.00 -0.55 0.00 0.00 56.30 54.90 1jkn h ASN 55 Cb 0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1jkn h ASN 55 CO 0.00 1.16 0.12 0.00 -1.65 0.00 0.00 177.43 177.07 1jkn h ALA 56 N -0.11 2.06 0.11 -0.83 0.00 0.67 0.55 119.26 121.70 1jkn h ALA 56 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jkn h ALA 56 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jkn h ALA 56 CO -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 1jkn h ALA 57 N 1.90 -0.15 -0.41 0.00 0.00 -1.19 0.55 119.26 119.96 1jkn h ALA 57 Ca 0.08 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1jkn h ALA 57 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jkn h ALA 57 CO -0.01 -0.24 0.30 0.82 0.00 0.00 0.00 179.25 180.13 1jkn h ILE 58 N -0.84 0.77 0.00 0.00 2.04 -1.05 0.52 117.51 118.95 1jkn h ILE 58 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jkn h ILE 58 Cb 0.56 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1jkn h ILE 58 CO 0.02 0.00 -0.07 -0.09 0.00 0.00 0.00 178.15 178.02 1jkn h ARG 59 N 0.00 0.00 -0.67 2.37 2.43 -0.87 -3.33 114.38 114.30 1jkn h ARG 59 Ca 0.20 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.50 1jkn h ARG 59 Cb 0.80 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1jkn h ARG 59 CO -0.00 0.65 0.45 0.93 -1.51 0.00 0.00 179.97 180.49 1jkn h GLU 60 N -1.00 0.33 0.54 0.20 4.39 0.89 -2.64 114.58 117.29 1jkn h GLU 60 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1jkn h GLU 60 Cb 0.67 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1jkn h GLU 60 CO -0.01 0.22 -0.43 1.25 -1.16 0.00 0.00 179.01 178.87 1jkn h LEU 61 N 0.34 -1.15 -0.28 1.33 5.85 -0.10 0.54 115.31 121.84 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 0.79 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1jkn h LEU 61 CO -0.09 -0.62 0.00 -2.11 -0.34 0.00 0.00 178.44 175.29 1jkn n ARG 62 N -5.54 0.03 -0.06 1.25 1.85 -1.01 1.00 116.66 114.18 1jkn n ARG 62 Ca -0.12 0.48 -0.22 0.00 -1.00 0.00 0.00 57.85 56.99 1jkn n ARG 62 Cb 0.43 -1.60 -0.13 0.00 -1.05 0.00 0.00 32.46 30.12 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1jkn n GLU 63 N -1.67 0.67 -0.02 2.89 1.02 -0.06 -0.58 120.64 122.89 1jkn n GLU 63 Ca 0.00 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.43 1jkn n GLU 63 Cb 0.04 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 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 -3.86 0.63 -0.01 3.49 4.71 0.17 -3.70 120.64 122.07 1jkn n GLU 64 Ca -0.35 0.27 0.02 0.00 -0.01 0.00 0.00 57.16 57.09 1jkn n GLU 64 Cb 0.90 -1.78 -0.04 0.00 -1.01 0.00 0.00 31.44 29.51 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1jkn n THR 65 N -3.01 0.05 -0.94 2.62 -2.24 0.28 -4.60 114.28 106.43 1jkn n THR 65 Ca -0.17 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jkn n THR 65 Cb 1.04 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 2.25 0.44 3.72 3.38 0.00 -0.31 0.14 105.19 114.81 1jkn n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.11 4.23 -0.11 1.61 1.01 -1.25 -4.03 120.40 119.75 1jkn s VAL 67 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1jkn s VAL 67 Cb 0.00 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 1jkn s VAL 67 CO 0.00 0.15 -0.01 0.35 0.00 0.00 0.00 175.10 175.59 1jkn n THR 68 N 3.70 0.73 -2.90 3.92 -2.24 -1.26 -3.51 114.28 112.71 1jkn n THR 68 Ca 0.07 -0.39 -0.44 0.00 -2.27 0.00 0.00 64.05 61.02 1jkn n THR 68 Cb 0.48 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.53 5.24 -3.72 3.42 7.64 -1.26 -4.91 113.62 117.50 1jkn n SER 69 Ca -0.19 -3.00 -0.11 0.00 1.01 0.00 0.00 58.87 56.58 1jkn n SER 69 Cb 0.81 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.35 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 1.21 -0.84 -0.02 -0.43 0.00 -1.26 0.10 121.76 120.52 1jkn s ALA 70 Ca 0.42 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.71 1jkn s ALA 70 Cb -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1jkn s ALA 70 CO -0.00 -0.23 -0.25 -1.83 0.00 0.00 0.00 175.76 173.45 1jkn s GLU 71 N 1.19 2.12 -0.17 0.00 -1.05 -0.33 -4.84 118.70 115.62 1jkn s GLU 71 Ca -0.08 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 53.52 1jkn s GLU 71 Cb -0.08 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.51 1jkn s GLU 71 CO -0.09 0.56 1.58 0.08 0.95 0.00 0.00 175.26 178.33 1jkn s VAL 72 N -0.64 3.75 -0.15 1.83 1.01 -1.25 0.22 120.40 125.16 1jkn s VAL 72 Ca 0.10 0.87 0.19 0.00 0.00 0.00 0.00 61.98 63.14 1jkn s VAL 72 Cb -0.10 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 1jkn s VAL 72 CO -0.01 -0.22 0.84 -0.38 0.00 0.00 0.00 175.10 175.34 1jkn n ILE 73 N 6.04 0.98 -3.83 2.22 5.41 -0.96 -4.88 119.36 124.33 1jkn n ILE 73 Ca 0.18 -0.65 -0.08 0.00 1.00 0.00 0.00 62.75 63.20 1jkn n ILE 73 Cb 0.45 -0.58 -0.03 0.00 -0.71 0.00 0.00 39.64 38.76 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 -3.06 -1.09 -0.18 -1.39 0.00 -1.25 -4.98 121.76 109.81 1jkn s ALA 74 Ca -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 1jkn s ALA 74 Cb 0.09 0.89 0.09 0.00 0.00 0.00 0.00 23.12 24.18 1jkn s ALA 74 CO 0.81 -0.97 0.31 -1.83 0.00 0.00 0.00 175.76 174.08 1jkn s GLU 75 N -3.92 0.23 0.19 0.00 1.03 -1.26 -0.46 118.70 114.51 1jkn s GLU 75 Ca 0.12 0.67 -0.33 0.00 0.03 0.00 0.00 54.97 55.46 1jkn s GLU 75 Cb -0.04 -0.25 -0.13 0.00 -0.80 0.00 0.00 34.13 32.90 1jkn s GLU 75 CO 0.05 -0.41 1.63 0.28 -1.33 0.00 0.00 175.26 175.48 1jkn n VAL 76 N 5.36 0.06 0.38 1.83 0.31 -0.78 -4.87 118.33 120.62 1jkn n VAL 76 Ca -0.06 -0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 1jkn n VAL 76 Cb 0.50 -1.73 0.52 0.00 -0.91 0.00 0.00 33.84 32.21 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 6.19 0.00 -5.22 5.55 0.13 -1.99 -3.45 132.00 133.21 1jkn h PRO 77 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 1jkn h PRO 77 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1jkn h PRO 77 CO 0.91 0.00 -0.60 1.52 -0.23 0.00 0.00 178.00 179.60 1jkn s TYR 78 N -3.37 1.97 0.06 1.56 -0.85 -1.26 -4.69 117.35 110.76 1jkn s TYR 78 Ca 0.04 -0.97 -0.07 0.00 -0.52 0.00 0.00 57.07 55.55 1jkn s TYR 78 Cb 0.09 -1.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.09 1jkn s TYR 78 CO 0.42 0.00 0.33 -1.58 -1.52 0.00 0.00 175.55 173.20 1jkn s TRP 79 N -3.29 3.56 -0.25 -3.49 0.52 -1.26 -4.55 118.94 110.18 1jkn s TRP 79 Ca 0.36 0.62 -0.05 0.00 0.02 0.00 0.00 56.10 57.05 1jkn s TRP 79 Cb 0.09 -2.03 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1jkn s TRP 79 CO 0.15 0.55 0.01 -0.51 0.02 0.00 0.00 176.95 177.18 1jkn s LEU 80 N -2.00 3.30 -0.11 2.99 1.43 0.27 -1.80 118.68 122.75 1jkn s LEU 80 Ca 0.32 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1jkn s LEU 80 Cb -0.13 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1jkn s LEU 80 CO 0.19 -0.09 -0.01 0.42 0.23 0.00 0.00 176.35 177.09 1jkn s THR 81 N 1.49 4.16 0.33 5.49 -4.23 -1.26 -1.52 115.64 120.10 1jkn s THR 81 Ca 0.04 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1jkn s THR 81 Cb -0.16 -2.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.85 1jkn s THR 81 CO -0.01 0.56 0.06 -0.72 -0.54 0.00 0.00 174.62 173.97 1jkn s TYR 82 N -0.41 1.98 0.17 3.99 1.13 -1.25 -4.73 117.35 118.24 1jkn s TYR 82 Ca 0.07 -0.95 0.07 0.00 -1.41 0.00 0.00 57.07 54.84 1jkn s TYR 82 Cb -0.12 -1.30 -0.04 0.00 -1.10 0.00 0.00 41.96 39.40 1jkn s TYR 82 CO 0.02 0.02 -0.14 0.16 -2.51 0.00 0.00 175.55 173.10 1jkn s ASP 83 N -3.50 2.25 0.15 -0.18 1.47 -1.26 -3.63 116.67 111.98 1jkn s ASP 83 Ca 0.36 -0.95 0.09 0.00 1.18 0.00 0.00 52.55 53.23 1jkn s ASP 83 Cb 0.09 -0.09 -0.04 0.00 -0.34 0.00 0.00 42.92 42.54 1jkn s ASP 83 CO 0.16 -0.19 -0.15 -0.36 0.68 0.00 0.00 175.17 175.30 1jkn s PHE 84 N -2.78 2.55 1.13 2.11 0.08 -1.26 -4.88 117.98 114.94 1jkn s PHE 84 Ca 0.17 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 1jkn s PHE 84 Cb -0.01 -1.30 0.26 0.00 -0.57 0.00 0.00 43.02 41.39 1jkn s PHE 84 CO 0.04 0.45 1.05 -1.25 -0.10 0.00 0.00 175.22 175.41 1jkn s PRO 85 N -2.46 -0.61 0.46 0.24 0.04 -1.26 -4.43 135.00 126.98 1jkn s PRO 85 Ca 0.21 0.70 0.31 0.00 0.04 0.00 0.00 61.00 62.26 1jkn s PRO 85 Cb -0.10 -1.60 1.53 0.00 0.04 0.00 0.00 34.50 34.37 1jkn s PRO 85 CO 0.12 -3.48 1.94 -1.00 0.04 0.00 0.00 177.00 174.63 1jkn h PRO 86 N -2.44 0.00 0.04 0.56 0.13 -2.00 0.65 132.00 128.93 1jkn h PRO 86 Ca -0.60 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.20 1jkn h PRO 86 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.53 0.00 -1.94 1.17 -0.23 0.00 0.00 178.00 177.53 1jkn n LYS 87 N -2.67 0.68 -0.03 0.86 4.81 -1.26 -3.06 118.16 117.48 1jkn n LYS 87 Ca -0.01 0.24 -0.18 0.00 -0.87 0.00 0.00 58.31 57.49 1jkn n LYS 87 Cb 0.15 -1.71 -0.13 0.00 0.02 0.00 0.00 35.03 33.35 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 0.02 1.40 -0.49 3.15 2.07 -1.79 -2.10 116.25 118.52 1jkn h VAL 88 Ca -0.38 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 64.78 1jkn h VAL 88 Cb 2.04 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 34.76 1jkn h VAL 88 CO 0.06 0.59 0.31 -0.09 0.02 0.00 0.00 177.57 178.46 1jkn h ARG 89 N -0.71 0.60 0.00 1.57 2.43 0.09 0.63 114.38 118.98 1jkn h ARG 89 Ca -0.17 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1jkn h ARG 89 Cb 1.36 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1jkn h ARG 89 CO 0.00 0.40 -0.33 1.49 -1.51 0.00 0.00 179.97 180.02 1jkn h GLU 90 N 0.62 0.00 0.04 0.20 4.57 -1.67 -2.11 114.58 116.22 1jkn h GLU 90 Ca 0.19 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 1jkn h GLU 90 Cb -0.03 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1jkn h GLU 90 CO -0.06 0.33 -0.37 -0.22 -1.18 0.00 0.00 179.01 177.51 1jkn h LYS 91 N 0.00 0.18 -0.39 1.92 3.11 -0.48 -3.32 116.57 117.60 1jkn h LYS 91 Ca -0.00 -0.25 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1jkn h LYS 91 Cb 0.69 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.98 1jkn h LYS 91 CO 0.04 1.04 0.23 -0.07 -2.81 0.00 0.00 179.45 177.87 1jkn h LEU 92 N -0.55 0.36 -1.82 5.20 3.38 0.27 0.53 115.31 122.68 1jkn h LEU 92 Ca -0.06 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.31 1jkn h LEU 92 Cb 1.19 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1jkn h LEU 92 CO 0.07 0.26 0.94 0.78 0.09 0.00 0.00 178.44 180.58 1jkn h ASN 93 N 0.46 0.10 0.00 -0.43 -0.26 -1.48 1.59 115.58 115.56 1jkn h ASN 93 Ca 0.16 0.03 -0.38 0.00 -0.56 0.00 0.00 56.30 55.55 1jkn h ASN 93 Cb 0.02 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.24 1jkn h ASN 93 CO -0.08 -0.01 -2.11 -0.38 -1.06 0.00 0.00 177.43 173.79 1jkn n ILE 94 N -4.27 1.54 0.23 2.81 5.41 -0.52 -2.71 119.36 121.84 1jkn n ILE 94 Ca 0.31 -0.28 -0.14 0.00 1.00 0.00 0.00 62.75 63.64 1jkn n ILE 94 Cb 1.37 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.93 -0.57 0.08 0.38 4.15 0.94 -3.29 115.11 115.87 1jkn h GLN 95 Ca -0.58 0.04 -0.25 0.00 0.77 0.00 0.00 58.65 58.63 1jkn h GLN 95 Cb 1.54 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.36 1jkn h GLN 95 CO -0.33 -0.26 -1.11 -1.49 -1.93 0.00 0.00 178.83 173.71 1jkn h TRP 96 N -0.90 0.51 -0.47 3.99 4.06 0.19 -3.48 115.95 119.84 1jkn h TRP 96 Ca -0.06 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1jkn h TRP 96 Cb 0.57 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.01 1.21 0.00 0.41 -3.56 0.00 0.00 178.44 176.51 1jkn n GLY 97 N 1.28 0.70 3.28 1.49 0.00 0.74 -4.98 105.19 107.70 1jkn n GLY 97 Ca -0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.96 2.63 -0.49 1.61 0.01 -1.24 -4.98 113.70 108.29 1jkn s SER 98 Ca 0.00 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1jkn s SER 98 Cb 0.00 -0.19 0.44 0.00 0.21 0.00 0.00 66.02 66.49 1jkn s SER 98 CO 0.00 0.13 1.55 -0.67 0.41 0.00 0.00 173.24 174.66 1jkn n ASP 99 N 1.47 6.11 -4.92 2.44 -0.08 -1.26 -3.84 116.55 116.47 1jkn n ASP 99 Ca -0.18 -3.77 -0.31 0.00 -1.51 0.00 0.00 54.79 49.02 1jkn n ASP 99 Cb 0.53 -0.64 -0.04 0.00 2.34 0.00 0.00 41.12 43.31 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1jkn s TRP 100 N -3.71 3.51 0.19 -0.67 0.52 -1.26 -5.00 118.94 112.51 1jkn s TRP 100 Ca 0.56 0.30 0.10 0.00 0.02 0.00 0.00 56.10 57.08 1jkn s TRP 100 Cb 0.45 -1.80 0.20 0.00 -1.15 0.00 0.00 33.47 31.17 1jkn s TRP 100 CO -0.04 0.56 1.52 0.87 0.02 0.00 0.00 176.95 179.87 1jkn h LYS 101 N 2.97 0.00 0.00 4.98 6.56 -1.68 -3.49 116.57 125.91 1jkn h LYS 101 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1jkn h LYS 101 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1jkn h LYS 101 CO 0.75 0.70 0.00 0.41 -2.06 0.00 0.00 179.45 179.25 1jkn n GLY 102 N 0.63 2.08 3.26 3.86 0.00 -1.26 -4.03 105.19 109.73 1jkn n GLY 102 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1jkn n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 103 N 4.91 0.51 -0.55 1.61 -0.21 -1.24 -3.33 119.66 121.36 1jkn s GLN 103 Ca 0.00 1.06 -0.24 0.00 0.02 0.00 0.00 55.36 56.20 1jkn s GLN 103 Cb 0.00 0.45 0.04 0.00 1.00 0.00 0.00 33.01 34.50 1jkn s GLN 103 CO 0.00 -0.46 0.91 0.00 -2.12 0.00 0.00 175.29 173.62 1jkn s ALA 104 N 2.79 3.18 0.14 6.09 0.00 -1.09 -3.80 121.76 129.07 1jkn s ALA 104 Ca 0.10 -1.30 0.11 0.00 0.00 0.00 0.00 51.96 50.87 1jkn s ALA 104 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1jkn s ALA 104 CO -0.19 -2.35 -0.26 1.14 0.00 0.00 0.00 175.76 174.10 1jkn s GLN 105 N 3.82 1.40 -0.63 0.00 -2.07 -0.57 -3.21 119.66 118.41 1jkn s GLN 105 Ca 0.29 -1.37 -0.12 0.00 -1.82 0.00 0.00 55.36 52.34 1jkn s GLN 105 Cb -0.13 -1.87 0.16 0.00 -1.09 0.00 0.00 33.01 30.08 1jkn s GLN 105 CO 0.18 0.44 0.55 0.15 -1.32 0.00 0.00 175.29 175.29 1jkn s LYS 106 N -2.14 3.04 0.44 9.60 1.02 -1.10 0.94 119.74 131.54 1jkn s LYS 106 Ca 0.15 -2.06 -0.25 0.00 0.02 0.00 0.00 55.97 53.83 1jkn s LYS 106 Cb -0.10 -4.20 -0.08 0.00 -0.52 0.00 0.00 37.83 32.93 1jkn s LYS 106 CO 0.06 -1.27 1.32 -1.58 -0.92 0.00 0.00 175.35 172.97 1jkn s TRP 107 N 0.90 2.68 -0.02 3.18 0.52 -1.26 -3.76 118.94 121.17 1jkn s TRP 107 Ca 0.10 1.38 0.04 0.00 0.02 0.00 0.00 56.10 57.65 1jkn s TRP 107 Cb -0.21 -3.72 -0.01 0.00 -1.15 0.00 0.00 33.47 28.38 1jkn s TRP 107 CO -0.02 -2.33 -0.15 -0.06 0.02 0.00 0.00 176.95 174.41 1jkn s PHE 108 N -1.28 1.43 0.54 -1.98 0.40 0.87 -1.87 117.98 116.09 1jkn s PHE 108 Ca 0.60 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.44 1jkn s PHE 108 Cb -0.39 -0.95 -0.07 0.00 0.51 0.00 0.00 43.02 42.12 1jkn s PHE 108 CO 0.49 -0.08 1.00 -1.17 0.70 0.00 0.00 175.22 176.15 1jkn s LEU 109 N -0.13 3.56 -0.10 -0.37 2.96 0.39 0.11 118.68 125.10 1jkn s LEU 109 Ca 0.01 1.57 -0.06 0.00 -0.22 0.00 0.00 54.13 55.44 1jkn s LEU 109 Cb -0.08 -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 0.24 -0.36 -1.32 0.00 0.00 176.35 174.24 1jkn s PHE 110 N -2.68 -0.31 -0.27 5.38 0.40 0.62 -2.27 117.98 118.84 1jkn s PHE 110 Ca 0.59 0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 57.51 1jkn s PHE 110 Cb -0.11 0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.45 1jkn s PHE 110 CO 0.35 -0.21 0.42 0.21 0.70 0.00 0.00 175.22 176.68 1jkn s LYS 111 N 1.04 3.99 -0.04 0.44 2.47 0.59 0.37 119.74 128.61 1jkn s LYS 111 Ca -0.07 0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 1jkn s LYS 111 Cb -0.09 -3.67 -0.06 0.00 -1.46 0.00 0.00 37.83 32.56 1jkn s LYS 111 CO -0.07 -0.33 1.59 0.12 0.16 0.00 0.00 175.35 176.83 1jkn s PHE 112 N 2.15 2.21 -0.26 4.03 5.36 -0.70 -1.19 117.98 129.59 1jkn s PHE 112 Ca 0.17 0.35 0.11 0.00 -0.96 0.00 0.00 56.93 56.59 1jkn s PHE 112 Cb -0.16 -3.86 0.46 0.00 -0.34 0.00 0.00 43.02 39.12 1jkn s PHE 112 CO 0.10 -3.53 1.18 0.25 -1.46 0.00 0.00 175.22 171.76 1jkn n THR 113 N 5.25 2.17 -1.06 0.12 -2.24 0.28 -4.78 114.28 114.02 1jkn n THR 113 Ca 0.16 -3.70 0.00 0.00 -2.27 0.00 0.00 64.05 58.24 1jkn n THR 113 Cb 0.43 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.71 5.55 3.24 3.38 0.00 -1.20 -4.77 105.19 110.67 1jkn n GLY 114 Ca 0.32 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 3.41 1.01 0.46 1.61 -0.21 -1.26 -5.00 119.66 119.68 1jkn s GLN 115 Ca 0.00 -1.22 0.15 0.00 0.02 0.00 0.00 55.36 54.31 1jkn s GLN 115 Cb 0.00 -0.90 0.81 0.00 1.00 0.00 0.00 33.01 33.92 1jkn s GLN 115 CO 0.00 0.17 1.37 -0.44 -2.12 0.00 0.00 175.29 174.28 1jkn h ASP 116 N 3.58 0.00 1.55 5.90 3.32 -2.02 0.80 116.42 129.55 1jkn h ASP 116 Ca -0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1jkn h ASP 116 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jkn h ASP 116 CO 0.50 0.00 -0.09 1.56 -1.72 0.00 0.00 179.24 179.49 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.20 -2.03 -3.05 115.11 117.78 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 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1jkn h GLN 117 CO 0.00 0.09 -0.46 1.49 -0.67 0.00 0.00 178.83 179.28 1jkn h GLU 118 N 0.00 0.00 -6.12 1.46 4.57 0.27 -3.43 114.58 111.34 1jkn h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1jkn h GLU 118 Cb 0.88 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 1jkn h GLU 118 CO 0.01 0.46 1.31 0.42 -1.18 0.00 0.00 179.01 180.03 1jkn s ILE 119 N -3.16 3.43 -0.42 2.32 1.01 -1.16 -3.82 121.20 119.41 1jkn s ILE 119 Ca 0.03 0.36 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1jkn s ILE 119 Cb 0.09 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.85 1jkn s ILE 119 CO 0.72 -0.68 0.14 0.21 0.00 0.00 0.00 174.94 175.33 1jkn s ASN 120 N 7.14 4.57 0.60 3.58 3.84 0.12 -4.95 114.94 129.84 1jkn s ASN 120 Ca 0.72 -2.54 0.31 0.00 0.21 0.00 0.00 52.86 51.56 1jkn s ASN 120 Cb -0.17 -1.64 1.82 0.00 -0.55 0.00 0.00 41.25 40.72 1jkn s ASN 120 CO 0.27 -0.31 2.21 -0.07 -2.79 0.00 0.00 177.10 176.40 1jkn h LEU 121 N 7.11 0.00 0.51 3.21 3.38 -1.78 -1.84 115.31 125.91 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jkn h LEU 121 Cb 0.96 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.60 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 178.81 1jkn h LEU 122 N 0.00 -0.58 0.00 1.67 3.38 -1.81 -3.32 115.31 114.64 1jkn h LEU 122 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jkn h LEU 122 Cb 0.17 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jkn h LEU 122 CO -0.00 -0.41 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1jkn n GLY 123 N -1.37 1.29 1.86 0.83 0.00 -0.91 -3.39 105.19 103.49 1jkn n GLY 123 Ca -0.12 -1.91 -0.16 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 0.00 6.07 -1.67 1.61 5.75 0.26 -4.74 116.55 123.83 1jkn n ASP 124 Ca 0.00 -3.03 -0.15 0.00 -0.01 0.00 0.00 54.79 51.60 1jkn n ASP 124 Cb 0.00 -1.00 -0.01 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 0.25 -0.18 0.39 6.12 0.00 -1.26 -4.92 105.19 105.60 1jkn n GLY 125 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.81 0.95 -4.64 1.61 7.64 -1.26 -5.08 113.62 112.03 1jkn n SER 126 Ca -0.17 0.15 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 1jkn n SER 126 Cb 0.63 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.91 2.09 0.68 1.43 -1.05 -1.26 -5.11 118.70 113.57 1jkn s GLU 127 Ca -0.11 -1.75 -0.17 0.00 -0.15 0.00 0.00 54.97 52.79 1jkn s GLU 127 Cb 0.01 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 31.78 1jkn s GLU 127 CO 0.16 0.12 1.28 0.15 0.95 0.00 0.00 175.26 177.92 1jkn s LYS 128 N -3.73 2.34 1.01 -4.83 1.02 -1.26 -4.67 119.74 109.62 1jkn s LYS 128 Ca 0.35 2.00 -0.15 0.00 0.02 0.00 0.00 55.97 58.19 1jkn s LYS 128 Cb 0.00 -1.83 0.13 0.00 -0.52 0.00 0.00 37.83 35.62 1jkn s LYS 128 CO 0.20 -1.75 0.15 -2.30 -0.92 0.00 0.00 175.35 170.73 1jkn n PRO 129 N -2.22 -1.98 0.00 -1.68 -0.02 -1.22 -4.91 135.00 122.97 1jkn n PRO 129 Ca 0.15 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1jkn n PRO 129 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.48 0.00 -4.28 -0.52 1.02 -1.25 -5.03 120.64 109.11 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 -0.12 -0.07 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 -1.52 2.71 -0.06 -0.32 0.08 -1.26 -1.90 117.98 115.72 1jkn s PHE 131 Ca 0.00 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.86 1jkn s PHE 131 Cb 0.00 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 1jkn s PHE 131 CO 0.00 0.61 0.07 0.41 -0.10 0.00 0.00 175.22 176.21 1jkn n GLY 132 N -0.81 0.38 3.60 4.36 0.00 -1.05 -4.54 105.19 107.13 1jkn n GLY 132 Ca -0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.64 1.79 -0.01 1.61 8.01 -1.26 -5.01 118.70 122.19 1jkn s GLU 133 Ca 0.00 -1.44 -0.29 0.00 0.01 0.00 0.00 54.97 53.25 1jkn s GLU 133 Cb 0.02 0.49 0.07 0.00 -4.31 0.00 0.00 34.13 30.40 1jkn s GLU 133 CO 0.09 -0.76 0.65 1.67 0.01 0.00 0.00 175.26 176.92 1jkn s TRP 134 N -3.42 -0.62 0.03 1.61 1.48 -1.26 -0.78 118.94 115.99 1jkn s TRP 134 Ca 0.24 0.94 -0.16 0.00 -1.06 0.00 0.00 56.10 56.05 1jkn s TRP 134 Cb -0.01 0.43 0.03 0.00 -1.16 0.00 0.00 33.47 32.75 1jkn s TRP 134 CO 0.13 -0.65 0.36 0.45 -4.06 0.00 0.00 176.95 173.18 1jkn s SER 135 N -1.52 -0.22 -0.16 -2.66 0.15 0.28 -4.97 113.70 104.60 1jkn s SER 135 Ca -0.09 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.33 1jkn s SER 135 Cb -0.00 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1jkn s SER 135 CO 0.05 -0.61 0.58 0.26 1.20 0.00 0.00 173.24 174.72 1jkn s TRP 136 N -2.29 3.44 0.04 3.44 0.52 -1.26 -1.34 118.94 121.48 1jkn s TRP 136 Ca -0.07 0.93 0.01 0.00 0.02 0.00 0.00 56.10 57.00 1jkn s TRP 136 Cb -0.01 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.57 1jkn s TRP 136 CO -0.01 -0.04 -0.06 0.14 0.02 0.00 0.00 176.95 177.00 1jkn s VAL 137 N 1.38 0.39 0.78 4.03 -7.23 -1.08 -4.86 120.40 113.82 1jkn s VAL 137 Ca 0.28 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 1jkn s VAL 137 Cb -0.16 -0.55 0.06 0.00 0.56 0.00 0.00 36.38 36.29 1jkn s VAL 137 CO 0.11 -0.46 1.10 0.42 -0.31 0.00 0.00 175.10 175.97 1jkn s THR 138 N -1.56 3.11 0.51 5.32 -4.23 -1.26 0.10 115.64 117.64 1jkn s THR 138 Ca -0.11 0.38 0.34 0.00 -1.18 0.00 0.00 61.69 61.12 1jkn s THR 138 Cb -0.09 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.29 1jkn s THR 138 CO -0.01 -0.45 2.03 1.55 -0.54 0.00 0.00 174.62 177.20 1jkn h PRO 139 N -1.10 0.00 0.05 3.99 0.13 -1.89 0.19 132.00 133.37 1jkn h PRO 139 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1jkn h PRO 139 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.50 0.00 -1.85 0.39 -0.23 0.00 0.00 178.00 176.82 1jkn n GLU 140 N -2.82 0.69 -0.01 0.86 1.02 -1.26 -3.50 120.64 115.62 1jkn n GLU 140 Ca -0.02 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1jkn n GLU 140 Cb 0.21 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jkn h GLN 141 N 0.03 -0.04 -0.61 3.49 1.08 -1.11 -2.81 115.11 115.13 1jkn h GLN 141 Ca -0.35 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.02 1jkn h GLN 141 Cb 2.03 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.08 0.52 0.44 1.25 -0.95 0.00 0.00 178.83 180.16 1jkn h LEU 142 N -0.64 0.06 -1.22 1.46 5.85 -0.96 1.04 115.31 120.89 1jkn h LEU 142 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jkn h LEU 142 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1jkn h LEU 142 CO 0.01 0.03 -0.37 0.40 -0.34 0.00 0.00 178.44 178.16 1jkn h ILE 143 N 0.06 1.15 0.00 4.05 1.08 -1.57 0.64 117.51 122.93 1jkn h ILE 143 Ca 0.29 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 1jkn h ILE 143 Cb 1.08 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1jkn h ILE 143 CO -0.02 0.37 -0.14 -0.78 -0.69 0.00 0.00 178.15 176.89 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 3.58 0.13 -3.26 116.42 118.84 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 1jkn h ASP 144 Cb 0.71 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.77 1jkn h ASP 144 CO 0.05 0.10 -1.69 -0.07 -2.88 0.00 0.00 179.24 174.75 1jkn h LEU 145 N 0.00 0.61-10.08 2.28 3.38 -0.50 -3.47 115.31 107.53 1jkn h LEU 145 Ca -0.00 -0.87 -0.49 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.08 -0.20 0.21 0.00 0.09 0.00 0.00 40.66 41.84 1jkn h LEU 145 CO 0.01 1.72 -0.12 0.41 0.09 0.00 0.00 178.44 180.56 1jkn n THR 146 N -3.58 0.00 -3.07 0.22 -1.04 0.15 -4.44 114.28 102.52 1jkn n THR 146 Ca -0.22 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.33 1jkn n THR 146 Cb 1.08 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 -2.48 4.40 0.56 12.58 0.11 -1.26 -4.89 120.40 129.42 1jkn s VAL 147 Ca 0.65 -0.42 0.24 0.00 -2.93 0.00 0.00 61.98 59.51 1jkn s VAL 147 Cb -0.22 -3.62 0.33 0.00 -1.53 0.00 0.00 36.38 31.33 1jkn s VAL 147 CO 0.63 -0.45 2.17 -0.33 -3.33 0.00 0.00 175.10 173.79 1jkn h GLU 148 N 0.48 0.00 -0.38 1.54 4.39 -1.95 0.34 114.58 119.00 1jkn h GLU 148 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1jkn h GLU 148 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1jkn h GLU 148 CO 0.59 0.00 0.00 1.97 -1.16 0.00 0.00 179.01 180.41 1jkn n PHE 149 N -4.16 0.50 -1.11 4.33 1.16 -1.26 -4.02 117.46 112.90 1jkn n PHE 149 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 1jkn n PHE 149 Cb 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 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 0.86 0.00 0.17 3.97 5.02 -0.29 -4.33 118.16 123.56 1jkn n LYS 150 Ca 0.17 -0.55 -0.07 0.00 -2.02 0.00 0.00 58.31 55.84 1jkn n LYS 150 Cb 0.42 -0.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.47 -0.56 1.97 1.57 -1.14 -2.98 116.57 114.95 1jkn h LYS 151 Ca 0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1jkn h LYS 151 Cb 1.04 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.38 1jkn h LYS 151 CO 0.00 -0.31 0.14 -1.00 -0.57 0.00 0.00 179.45 177.71 1jkn h PRO 152 N -0.89 0.28 -0.22 3.15 0.13 -1.87 0.64 132.00 133.23 1jkn h PRO 152 Ca -0.05 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1jkn h PRO 152 Cb 0.37 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1jkn h PRO 152 CO 0.08 0.19 0.22 0.28 -0.23 0.00 0.00 178.00 178.54 1jkn h VAL 153 N 0.29 0.50 0.00 1.56 2.07 -1.91 -0.12 116.25 118.64 1jkn h VAL 153 Ca 0.29 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.58 1jkn h VAL 153 Cb 0.40 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1jkn h VAL 153 CO -0.35 0.00 -1.32 -1.22 0.02 0.00 0.00 177.57 174.70 1jkn n TYR 154 N -3.86 0.86 -0.29 1.57 4.02 0.30 -3.80 117.16 115.96 1jkn n TYR 154 Ca 0.02 0.37 0.24 0.00 -0.01 0.00 0.00 57.90 58.52 1jkn n TYR 154 Cb 0.36 -1.04 0.55 0.00 -0.02 0.00 0.00 39.34 39.19 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 0.32 -0.29 -0.72 3.64 0.56 0.42 116.57 119.50 1jkn h LYS 155 Ca -0.34 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1jkn h LYS 155 Cb 1.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jkn h LYS 155 CO -0.21 0.21 0.07 1.49 -2.27 0.00 0.00 179.45 178.74 1jkn h GLU 156 N 0.33 0.46 -0.19 1.90 4.57 -1.20 0.55 114.58 121.00 1jkn h GLU 156 Ca 0.55 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.65 1jkn h GLU 156 Cb 1.52 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.02 1jkn h GLU 156 CO -0.21 0.55 -0.00 0.28 -1.18 0.00 0.00 179.01 178.44 1jkn h VAL 157 N 0.30 0.86 -0.07 0.32 2.07 -0.33 0.11 116.25 119.52 1jkn h VAL 157 Ca 0.09 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1jkn h VAL 157 Cb 0.29 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1jkn h VAL 157 CO 0.00 0.01 0.03 -0.07 0.02 0.00 0.00 177.57 177.56 1jkn h LEU 158 N 0.06 0.10 -0.66 2.57 3.38 -1.03 -1.04 115.31 118.69 1jkn h LEU 158 Ca 0.09 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1jkn h LEU 158 Cb 0.11 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 1jkn h LEU 158 CO -0.15 0.22 0.12 0.77 0.09 0.00 0.00 178.44 179.48 1jkn h SER 159 N -0.03 -0.06 0.71 -0.43 4.64 0.55 1.63 113.55 120.56 1jkn h SER 159 Ca 0.02 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1jkn h SER 159 Cb 0.15 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1jkn h SER 159 CO -0.00 -0.04 -0.23 0.58 -0.87 0.00 0.00 176.83 176.27 1jkn h VAL 160 N 0.23 0.65 -0.48 0.95 2.07 -0.56 -2.61 116.25 116.50 1jkn h VAL 160 Ca 0.36 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jkn h VAL 160 Cb 0.58 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1jkn h VAL 160 CO -0.48 0.22 0.00 0.49 0.02 0.00 0.00 177.57 177.82 1jkn n PHE 161 N -3.52 0.63 -0.04 1.57 3.72 0.17 -4.60 117.46 115.38 1jkn n PHE 161 Ca -0.01 -0.35 -0.08 0.00 -0.05 0.00 0.00 57.45 56.96 1jkn n PHE 161 Cb 0.38 -0.00 -0.02 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 3.96 -0.12 -0.45 4.37 0.00 0.25 -0.53 119.26 126.73 1jkn h ALA 162 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1jkn h ALA 162 Cb 0.93 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1jkn h ALA 162 CO 0.00 -0.66 0.57 -1.00 0.00 0.00 0.00 179.25 178.16 1jkn h PRO 163 N -0.25 0.00 0.00 0.00 0.13 -1.81 0.54 132.00 130.61 1jkn h PRO 163 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1jkn h PRO 163 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1jkn h PRO 163 CO -0.38 0.00 -1.43 0.72 -0.23 0.00 0.00 178.00 176.68 1jkn n HIS 164 N -3.51 0.70 -1.52 1.56 8.25 -0.31 -5.23 115.22 115.17 1jkn n HIS 164 Ca 0.09 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1jkn n HIS 164 Cb 0.75 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1jkn n HIS 164 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45