#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 -0.79 -2.61 1.61 -0.04 -1.26 -5.05 135.00 126.86 1jkn n PRO 2 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1jkn n PRO 2 Cb 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.58 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 -1.48 -1.81 1.53 -0.00 -1.26 -4.97 117.00 109.02 1jkn n LEU 3 Ca 0.00 -3.12 -0.09 0.00 -0.00 0.00 0.00 56.01 52.80 1jkn n LEU 3 Cb 0.00 0.14 0.21 0.00 -0.00 0.00 0.00 43.42 43.77 1jkn n LEU 3 CO 0.00 1.71 0.96 0.61 -0.00 0.00 0.00 177.39 180.67 1jkn n GLY 4 N -1.24 3.42 3.12 1.47 0.00 -1.26 -4.34 105.19 106.36 1jkn n GLY 4 Ca -0.14 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.71 -0.22 -0.04 1.61 1.04 -1.26 -4.61 113.70 109.51 1jkn s SER 5 Ca 0.44 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.57 1jkn s SER 5 Cb 0.35 1.39 -0.03 0.00 0.10 0.00 0.00 66.02 67.83 1jkn s SER 5 CO 0.10 -0.26 -0.02 0.23 0.98 0.00 0.00 173.24 174.27 1jkn n MET 6 N 5.39 1.43 -1.43 4.02 2.81 -0.61 -5.00 117.12 123.73 1jkn n MET 6 Ca -0.06 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.73 1jkn n MET 6 Cb 0.50 -1.09 -0.05 0.00 -0.71 0.00 0.00 33.22 31.87 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 -2.43 -4.41 0.00 7.83 -0.08 -1.25 -4.86 116.55 111.34 1jkn n ASP 7 Ca -0.07 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1jkn n ASP 7 Cb 0.59 -3.04 0.00 0.00 2.34 0.00 0.00 41.12 41.01 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1jkn n SER 8 N 0.01 0.00 -4.60 1.67 3.41 -1.26 -4.81 113.62 108.03 1jkn n SER 8 Ca -0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 1jkn n SER 8 Cb 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jkn s PRO 9 N -0.69 3.28 0.35 4.33 0.04 -1.26 -4.85 135.00 136.19 1jkn s PRO 9 Ca 0.00 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1jkn s PRO 9 Cb 0.00 -4.24 0.09 0.00 0.04 0.00 0.00 34.50 30.39 1jkn s PRO 9 CO 0.00 -1.93 0.34 -2.30 0.04 0.00 0.00 177.00 173.16 1jkn n PRO 10 N 8.51 -1.35 -3.36 0.56 -0.02 -1.26 -5.04 135.00 133.04 1jkn n PRO 10 Ca 0.24 -0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 60.84 1jkn n PRO 10 Cb 0.46 -0.47 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkn s GLU 11 N -3.77 3.93 0.00 -0.52 2.02 -1.26 -4.19 118.70 114.92 1jkn s GLU 11 Ca 0.21 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1jkn s GLU 11 Cb -0.02 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1jkn s GLU 11 CO 0.16 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1jkn n GLY 12 N 0.48 2.35 3.76 -1.39 0.00 -1.26 -4.88 105.19 104.25 1jkn n GLY 12 Ca -0.03 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.67 3.68 0.22 1.61 2.02 -1.26 -2.48 117.35 120.47 1jkn s TYR 13 Ca 0.00 1.77 -0.05 0.00 -0.37 0.00 0.00 57.07 58.42 1jkn s TYR 13 Cb 0.00 -3.10 -0.06 0.00 -0.40 0.00 0.00 41.96 38.40 1jkn s TYR 13 CO 0.00 -0.12 0.48 0.50 -1.57 0.00 0.00 175.55 174.84 1jkn s ARG 14 N -1.64 3.66 0.09 -0.62 3.52 -1.25 -4.74 118.95 117.97 1jkn s ARG 14 Ca 0.46 0.00 -0.31 0.00 -0.13 0.00 0.00 55.73 55.76 1jkn s ARG 14 Cb -0.26 -2.73 -0.08 0.00 -1.56 0.00 0.00 34.95 30.32 1jkn s ARG 14 CO 0.33 0.33 1.60 1.03 -0.81 0.00 0.00 175.30 177.79 1jkn s ARG 15 N -3.10 4.21 0.07 5.12 1.81 -1.26 -3.15 118.95 122.65 1jkn s ARG 15 Ca 0.43 2.30 -0.17 0.00 -1.72 0.00 0.00 55.73 56.58 1jkn s ARG 15 Cb -0.11 -3.49 0.03 0.00 -0.45 0.00 0.00 34.95 30.93 1jkn s ARG 15 CO 0.26 -0.68 0.39 1.21 -0.68 0.00 0.00 175.30 175.80 1jkn s ASN 16 N 2.04 -0.23 -0.03 0.23 3.84 -1.22 -1.28 114.94 118.29 1jkn s ASN 16 Ca 0.72 -0.14 0.04 0.00 0.21 0.00 0.00 52.86 53.69 1jkn s ASN 16 Cb -0.40 0.43 -0.00 0.00 -0.55 0.00 0.00 41.25 40.72 1jkn s ASN 16 CO 0.31 -0.71 -0.13 0.68 -2.79 0.00 0.00 177.10 174.46 1jkn s VAL 17 N -2.90 1.09 0.21 -5.21 -7.23 0.11 -3.06 120.40 103.41 1jkn s VAL 17 Ca -0.03 -0.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 1jkn s VAL 17 Cb 0.00 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1jkn s VAL 17 CO -0.05 0.32 0.15 -0.83 -0.31 0.00 0.00 175.10 174.37 1jkn s GLY 18 N -0.01 1.58 -0.32 2.32 0.00 -1.25 -0.87 107.32 108.77 1jkn s GLY 18 Ca -0.01 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1jkn s GLY 18 CO 0.01 -1.36 0.02 -0.42 0.00 0.00 0.00 173.10 171.35 1jkn s ILE 19 N -1.94 2.09 -0.79 0.90 -1.09 0.25 -2.34 121.20 118.29 1jkn s ILE 19 Ca 0.32 -2.07 -0.20 0.00 -2.23 0.00 0.00 60.65 56.46 1jkn s ILE 19 Cb -0.09 -2.47 0.11 0.00 -1.58 0.00 0.00 42.46 38.42 1jkn s ILE 19 CO 0.24 -0.48 1.01 0.00 -1.23 0.00 0.00 174.94 174.48 1jkn s LEU 21 N 3.17 4.08 0.15 0.00 2.96 -1.26 0.16 118.68 127.93 1jkn s LEU 21 Ca 0.26 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1jkn s LEU 21 Cb -0.12 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1jkn s LEU 21 CO -0.00 0.31 -0.13 0.00 -1.32 0.00 0.00 176.35 175.21 1jkn s MET 22 N -1.56 1.09 0.47 1.98 0.23 -0.22 0.11 119.30 121.41 1jkn s MET 22 Ca 0.21 -1.37 0.07 0.00 -1.03 0.00 0.00 55.69 53.57 1jkn s MET 22 Cb -0.12 -0.86 0.02 0.00 -1.53 0.00 0.00 34.83 32.34 1jkn s MET 22 CO 0.12 0.15 0.64 0.54 -2.03 0.00 0.00 175.02 174.44 1jkn s ASN 23 N -2.83 5.50 0.44 -1.18 4.22 -0.83 -1.83 114.94 118.42 1jkn s ASN 23 Ca 0.14 -0.37 0.26 0.00 -2.14 0.00 0.00 52.86 50.75 1jkn s ASN 23 Cb -0.02 -0.61 1.42 0.00 1.28 0.00 0.00 41.25 43.33 1jkn s ASN 23 CO 0.03 -0.92 1.78 0.78 -2.04 0.00 0.00 177.10 176.74 1jkn h ASN 24 N 0.45 0.00 -0.02 3.54 2.35 -1.92 0.36 115.58 120.34 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 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 -2.47 1.37 -0.32 5.81 8.00 -1.26 -4.91 116.55 122.76 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 -0.01 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 -0.24 -2.86 -1.24 5.02 0.13 -5.05 118.16 113.99 1jkn n LYS 26 Ca 0.19 0.29 -0.20 0.00 -2.02 0.00 0.00 58.31 56.58 1jkn n LYS 26 Cb 0.33 -3.96 0.05 0.00 -0.02 0.00 0.00 35.03 31.44 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 -3.57 2.36 -0.19 1.97 -0.14 -1.25 -4.78 119.74 114.15 1jkn s LYS 27 Ca 0.00 -1.26 -0.05 0.00 -1.36 0.00 0.00 55.97 53.30 1jkn s LYS 27 Cb 0.00 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 1jkn s LYS 27 CO 0.00 -0.79 -0.01 0.42 -0.76 0.00 0.00 175.35 174.21 1jkn s ILE 28 N -2.70 3.93 -0.30 2.17 -1.09 0.55 -1.97 121.20 121.79 1jkn s ILE 28 Ca 0.60 -0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.41 1jkn s ILE 28 Cb -0.08 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1jkn s ILE 28 CO 0.38 0.44 2.06 0.12 -1.23 0.00 0.00 174.94 176.72 1jkn s PHE 29 N 0.87 1.41 -0.11 3.97 2.19 0.30 -2.45 117.98 124.17 1jkn s PHE 29 Ca 0.01 0.66 0.02 0.00 0.33 0.00 0.00 56.93 57.95 1jkn s PHE 29 Cb -0.14 -3.98 -0.01 0.00 -1.31 0.00 0.00 43.02 37.58 1jkn s PHE 29 CO 0.02 -3.47 -0.17 0.00 1.83 0.00 0.00 175.22 173.42 1jkn s ALA 30 N 8.13 2.45 -0.09 11.12 0.00 -0.11 -4.57 121.76 138.69 1jkn s ALA 30 Ca 0.91 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1jkn s ALA 30 Cb -0.27 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1jkn s ALA 30 CO 0.33 0.30 -0.18 0.00 0.00 0.00 0.00 175.76 176.21 1jkn s ALA 31 N 0.21 2.43 0.47 0.00 0.00 -0.06 0.92 121.76 125.74 1jkn s ALA 31 Ca -0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1jkn s ALA 31 Cb -0.16 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 1jkn s ALA 31 CO 0.06 0.37 0.90 -1.54 0.00 0.00 0.00 175.76 175.56 1jkn s SER 32 N -0.04 6.58 0.70 0.00 1.04 0.55 -0.61 113.70 121.92 1jkn s SER 32 Ca -0.05 1.40 -0.13 0.00 0.48 0.00 0.00 55.95 57.65 1jkn s SER 32 Cb -0.14 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1jkn s SER 32 CO 0.04 -0.52 1.10 -0.13 0.98 0.00 0.00 173.24 174.71 1jkn s ARG 33 N -3.99 2.62 0.00 4.02 0.52 0.41 -1.51 118.95 121.02 1jkn s ARG 33 Ca 0.56 1.26 0.26 0.00 -0.52 0.00 0.00 55.73 57.28 1jkn s ARG 33 Cb -0.10 -1.94 0.62 0.00 0.52 0.00 0.00 34.95 34.06 1jkn s ARG 33 CO 0.31 -1.37 1.48 1.28 0.02 0.00 0.00 175.30 177.03 1jkn n LEU 34 N -2.89 1.18 0.00 2.53 4.77 -0.99 -4.03 117.00 117.56 1jkn n LEU 34 Ca 0.10 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1jkn n LEU 34 Cb 0.53 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jkn n LEU 34 CO 0.51 0.22 -0.15 -0.90 -1.33 0.00 0.00 177.39 175.74 1jkn n ASP 35 N -0.57 1.49 -4.06 -1.43 5.75 -1.26 -4.96 116.55 111.51 1jkn n ASP 35 Ca 0.12 -0.07 -0.32 0.00 -0.01 0.00 0.00 54.79 54.50 1jkn n ASP 35 Cb 0.37 0.44 -0.15 0.00 -1.03 0.00 0.00 41.12 40.75 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 -0.74 2.09 0.19 2.12 1.01 -1.26 -5.10 121.20 119.51 1jkn s ILE 36 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 1jkn s ILE 36 Cb 0.00 -2.17 -0.10 0.00 0.01 0.00 0.00 42.46 40.20 1jkn s ILE 36 CO 0.00 0.04 1.50 -2.16 0.00 0.00 0.00 174.94 174.32 1jkn s PRO 37 N 1.16 4.25 0.00 2.79 0.04 -1.26 -1.88 135.00 140.09 1jkn s PRO 37 Ca -0.07 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.06 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.35 -0.99 -4.44 6.66 -0.08 -1.26 -4.97 116.55 114.82 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.95 1jkn n ASP 38 Cb 0.40 -0.43 -0.04 0.00 2.34 0.00 0.00 41.12 43.39 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 -3.15 3.22 0.21 -1.67 0.00 -0.79 -4.98 121.76 114.60 1jkn s ALA 39 Ca 0.00 -2.14 0.05 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 0.22 -1.58 0.00 0.00 0.00 175.76 171.62 1jkn s TRP 40 N 3.53 3.24 0.08 0.00 0.52 -1.26 0.16 118.94 125.21 1jkn s TRP 40 Ca 0.24 -0.04 -0.27 0.00 0.02 0.00 0.00 56.10 56.05 1jkn s TRP 40 Cb -0.15 -1.50 0.08 0.00 -1.15 0.00 0.00 33.47 30.76 1jkn s TRP 40 CO 0.04 0.50 1.03 1.14 0.02 0.00 0.00 176.95 179.68 1jkn s GLN 41 N -3.57 0.93 -0.02 4.98 -2.07 0.22 -4.59 119.66 115.54 1jkn s GLN 41 Ca 0.33 -0.49 -0.02 0.00 -1.82 0.00 0.00 55.36 53.36 1jkn s GLN 41 Cb -0.09 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1jkn s GLN 41 CO 0.26 -0.42 0.14 -1.64 -1.32 0.00 0.00 175.29 172.30 1jkn s MET 42 N -3.04 3.28 0.06 9.60 -1.94 -1.26 -0.88 119.30 125.12 1jkn s MET 42 Ca 0.11 -0.37 -0.36 0.00 -1.71 0.00 0.00 55.69 53.37 1jkn s MET 42 Cb -0.00 -3.01 -0.19 0.00 2.01 0.00 0.00 34.83 33.64 1jkn s MET 42 CO -0.01 0.68 0.89 -2.30 -0.01 0.00 0.00 175.02 174.27 1jkn n PRO 43 N 1.17 0.00 -3.63 2.03 -0.01 -1.25 -4.71 135.00 128.60 1jkn n PRO 43 Ca -0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 63.50 63.23 1jkn n PRO 43 Cb 0.53 -1.33 -0.06 0.00 -0.01 0.00 0.00 33.50 32.63 1jkn n PRO 43 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 1jkn s GLN 44 N -0.28 0.96 -0.23 -0.52 1.03 -1.26 0.87 119.66 120.22 1jkn s GLN 44 Ca 0.81 -0.31 -0.27 0.00 0.04 0.00 0.00 55.36 55.63 1jkn s GLN 44 Cb -1.15 0.43 0.13 0.00 0.03 0.00 0.00 33.01 32.45 1jkn s GLN 44 CO 0.55 -0.33 1.03 0.20 -2.54 0.00 0.00 175.29 174.20 1jkn s GLY 45 N -1.97 -0.19 0.33 2.60 0.00 -0.05 -4.84 107.32 103.20 1jkn s GLY 45 Ca -0.05 2.43 -0.29 0.00 0.00 0.00 0.00 44.72 46.80 1jkn s GLY 45 CO -0.02 1.50 1.42 -0.32 0.00 0.00 0.00 173.10 175.68 1jkn s GLY 46 N -0.34 2.80 0.79 0.20 0.00 -1.26 0.08 107.32 109.59 1jkn s GLY 46 Ca 0.01 1.43 -0.10 0.00 0.00 0.00 0.00 44.72 46.05 1jkn s GLY 46 CO -0.03 2.16 1.10 -0.42 0.00 0.00 0.00 173.10 175.91 1jkn s ILE 47 N -0.86 3.14 0.17 0.90 1.01 -0.40 -4.78 121.20 120.37 1jkn s ILE 47 Ca 0.53 0.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 1jkn s ILE 47 Cb -0.43 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1jkn s ILE 47 CO 0.55 -0.48 0.55 -1.81 0.00 0.00 0.00 174.94 173.75 1jkn s ASP 48 N -3.28 6.78 -0.81 3.58 1.11 -1.26 -4.89 116.67 117.90 1jkn s ASP 48 Ca 0.62 1.05 -0.25 0.00 0.18 0.00 0.00 52.55 54.15 1jkn s ASP 48 Cb -0.18 -2.28 -0.18 0.00 1.07 0.00 0.00 42.92 41.35 1jkn s ASP 48 CO 0.56 0.06 2.48 -1.84 1.18 0.00 0.00 175.17 177.61 1jkn n GLU 49 N 0.57 0.41 -1.33 8.23 -0.00 -1.26 0.66 120.64 127.91 1jkn n GLU 49 Ca -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1jkn n GLU 49 Cb 0.52 -2.36 0.00 0.00 -0.00 0.00 0.00 31.44 29.60 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jkn n GLY 50 N 6.22 1.01 3.45 -1.84 0.00 -1.26 -5.09 105.19 107.69 1jkn n GLY 50 Ca 0.54 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.82 2.26 0.35 1.61 2.12 0.21 -5.11 118.70 117.31 1jkn s GLU 51 Ca 0.00 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.20 1jkn s GLU 51 Cb 0.00 -2.26 -0.09 0.00 0.26 0.00 0.00 34.13 32.04 1jkn s GLU 51 CO 0.00 0.58 1.15 0.34 -0.54 0.00 0.00 175.26 176.79 1jkn s ASP 52 N -1.09 6.84 0.11 -1.70 2.15 -1.26 -4.68 116.67 117.04 1jkn s ASP 52 Ca 0.13 2.34 -0.31 0.00 0.43 0.00 0.00 52.55 55.14 1jkn s ASP 52 Cb -0.11 -2.62 -0.11 0.00 -0.30 0.00 0.00 42.92 39.79 1jkn s ASP 52 CO 0.03 -0.45 1.60 -0.65 -0.17 0.00 0.00 175.17 175.52 1jkn h PRO 53 N 3.13 -0.65 -0.10 4.34 0.11 -1.97 0.69 132.00 137.55 1jkn h PRO 53 Ca -0.48 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1jkn h PRO 53 Cb 1.22 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 1jkn h PRO 53 CO 0.64 -0.43 0.09 -0.09 -0.21 0.00 0.00 178.00 178.00 1jkn h ARG 54 N -0.68 0.00 0.02 1.05 2.43 -1.93 -0.80 114.38 114.48 1jkn h ARG 54 Ca 0.01 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1jkn h ARG 54 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1jkn h ARG 54 CO -0.18 0.00 -0.49 -0.91 -1.51 0.00 0.00 179.97 176.88 1jkn h ASN 55 N 0.00 0.06 -0.47 -3.80 2.35 -1.69 -2.81 115.58 109.23 1jkn h ASN 55 Ca 0.05 -0.86 0.08 0.00 -0.55 0.00 0.00 56.30 55.02 1jkn h ASN 55 Cb 0.23 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1jkn h ASN 55 CO -0.00 1.20 0.32 0.00 -1.65 0.00 0.00 177.43 177.30 1jkn h ALA 56 N -0.13 2.06 0.19 -0.83 0.00 0.73 0.30 119.26 121.59 1jkn h ALA 56 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jkn h ALA 56 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jkn h ALA 56 CO -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 179.25 178.95 1jkn h ALA 57 N 1.76 -0.26 -0.55 0.00 0.00 -1.26 0.79 119.26 119.74 1jkn h ALA 57 Ca 0.21 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1jkn h ALA 57 Cb 0.47 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1jkn h ALA 57 CO -0.05 -0.34 0.43 0.82 0.00 0.00 0.00 179.25 180.11 1jkn h ILE 58 N -0.86 0.61 0.00 0.00 2.04 -1.15 0.83 117.51 118.99 1jkn h ILE 58 Ca -0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1jkn h ILE 58 Cb 0.52 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 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 -0.50 2.37 2.43 -0.87 -3.35 114.38 114.46 1jkn h ARG 59 Ca 0.26 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1jkn h ARG 59 Cb 1.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1jkn h ARG 59 CO -0.00 0.69 0.33 0.93 -1.51 0.00 0.00 179.97 180.41 1jkn h GLU 60 N -1.00 0.37 0.39 0.20 4.39 0.17 -2.91 114.58 116.19 1jkn h GLU 60 Ca -0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1jkn h GLU 60 Cb 0.79 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1jkn h GLU 60 CO -0.04 0.24 -0.50 1.25 -1.16 0.00 0.00 179.01 178.80 1jkn h LEU 61 N 0.38 -1.42 -0.26 1.33 5.85 0.50 0.54 115.31 122.23 1jkn h LEU 61 Ca 0.22 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1jkn h LEU 61 Cb 0.38 0.49 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1jkn h LEU 61 CO -0.05 -0.63 0.00 -2.11 -0.34 0.00 0.00 178.44 175.30 1jkn n ARG 62 N -5.54 0.03 -0.06 1.25 1.85 -1.11 0.93 116.66 114.01 1jkn n ARG 62 Ca -0.11 0.49 -0.22 0.00 -1.00 0.00 0.00 57.85 57.01 1jkn n ARG 62 Cb 0.45 -1.59 -0.13 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.65 0.66 -0.02 2.89 1.02 0.35 0.10 120.64 124.00 1jkn n GLU 63 Ca 0.00 0.39 -0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1jkn n GLU 63 Cb 0.03 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.61 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 -3.92 0.65 -0.01 3.49 4.71 0.16 -3.55 120.64 122.17 1jkn n GLU 64 Ca -0.35 0.28 0.02 0.00 -0.01 0.00 0.00 57.16 57.10 1jkn n GLU 64 Cb 0.88 -1.77 -0.05 0.00 -1.01 0.00 0.00 31.44 29.50 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 -3.09 0.07 -0.97 2.62 -2.24 0.26 -4.52 114.28 106.41 1jkn n THR 65 Ca -0.20 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jkn n THR 65 Cb 1.06 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 2.26 0.30 3.66 3.38 0.00 0.08 0.47 105.19 115.34 1jkn n GLY 66 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.66 4.16 -0.20 1.61 1.01 -1.24 -4.02 120.40 120.05 1jkn s VAL 67 Ca 0.00 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1jkn s VAL 67 Cb 0.00 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 1jkn s VAL 67 CO 0.00 -0.11 0.03 0.35 0.00 0.00 0.00 175.10 175.37 1jkn n THR 68 N 5.31 1.49 -2.79 3.92 -2.24 -1.26 -3.88 114.28 114.83 1jkn n THR 68 Ca 0.14 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 1jkn n THR 68 Cb 0.45 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 -3.05 5.23 -3.70 3.42 7.64 -1.26 -4.90 113.62 116.99 1jkn n SER 69 Ca -0.37 -3.03 -0.11 0.00 1.01 0.00 0.00 58.87 56.37 1jkn n SER 69 Cb 1.07 -1.53 -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 0.99 -0.82 0.10 -0.43 0.00 -1.26 0.92 121.76 121.26 1jkn s ALA 70 Ca 0.41 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.74 1jkn s ALA 70 Cb 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1jkn s ALA 70 CO 0.00 -0.31 -0.26 -1.21 0.00 0.00 0.00 175.76 173.99 1jkn s GLU 71 N 1.52 1.57 -0.05 0.00 2.02 -0.95 -4.89 118.70 117.92 1jkn s GLU 71 Ca -0.08 -1.26 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1jkn s GLU 71 Cb -0.10 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 1jkn s GLU 71 CO -0.11 0.47 1.08 0.08 0.02 0.00 0.00 175.26 176.81 1jkn s VAL 72 N -0.99 4.56 -0.03 2.63 1.01 -1.25 0.12 120.40 126.45 1jkn s VAL 72 Ca 0.14 1.85 0.15 0.00 0.00 0.00 0.00 61.98 64.11 1jkn s VAL 72 Cb -0.10 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1jkn s VAL 72 CO 0.05 0.04 0.33 -0.38 0.00 0.00 0.00 175.10 175.14 1jkn n ILE 73 N 4.39 0.00 -3.60 2.22 2.08 0.23 -4.88 119.36 119.80 1jkn n ILE 73 Ca 0.09 -0.34 -0.10 0.00 0.56 0.00 0.00 62.75 62.96 1jkn n ILE 73 Cb 0.48 0.18 -0.03 0.00 -0.75 0.00 0.00 39.64 39.52 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 -3.02 -1.22 -0.17 -1.39 0.00 -1.15 -4.95 121.76 109.86 1jkn s ALA 74 Ca -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1jkn s ALA 74 Cb 0.10 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.13 1jkn s ALA 74 CO 0.62 -0.78 0.32 -1.83 0.00 0.00 0.00 175.76 174.08 1jkn s GLU 75 N -3.82 0.23 0.10 0.00 1.03 -1.26 0.11 118.70 115.09 1jkn s GLU 75 Ca 0.05 0.74 -0.33 0.00 0.03 0.00 0.00 54.97 55.46 1jkn s GLU 75 Cb -0.01 -0.12 -0.12 0.00 -0.80 0.00 0.00 34.13 33.08 1jkn s GLU 75 CO -0.08 -0.37 1.75 0.28 -1.33 0.00 0.00 175.26 175.52 1jkn n VAL 76 N 5.36 0.26 0.30 1.83 0.31 -0.86 -4.85 118.33 120.67 1jkn n VAL 76 Ca -0.06 -0.05 0.18 0.00 -0.01 0.00 0.00 64.34 64.40 1jkn n VAL 76 Cb 0.50 -1.87 0.85 0.00 -0.91 0.00 0.00 33.84 32.41 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 7.68 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 139.93 1jkn h PRO 77 Ca -0.46 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 1jkn h PRO 77 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 1jkn h PRO 77 CO 0.93 0.00 -0.36 2.48 -0.23 0.00 0.00 178.00 180.82 1jkn n TYR 78 N -2.82 0.74 -4.19 1.56 0.18 -1.26 -4.87 117.16 106.48 1jkn n TYR 78 Ca -0.01 -1.90 -0.31 0.00 1.88 0.00 0.00 57.90 57.56 1jkn n TYR 78 Cb 0.16 -0.20 -0.08 0.00 -0.38 0.00 0.00 39.34 38.83 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 -2.44 3.06 -0.25 -3.48 0.52 -1.26 -4.62 118.94 110.47 1jkn s TRP 79 Ca 0.03 0.04 -0.04 0.00 0.02 0.00 0.00 56.10 56.15 1jkn s TRP 79 Cb 0.00 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.71 1jkn s TRP 79 CO 0.02 0.48 -0.01 -0.51 0.02 0.00 0.00 176.95 176.95 1jkn s LEU 80 N -1.93 3.23 -0.09 2.99 1.43 0.21 -1.57 118.68 122.95 1jkn s LEU 80 Ca 0.23 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1jkn s LEU 80 Cb -0.12 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1jkn s LEU 80 CO 0.15 -0.09 -0.06 0.42 0.23 0.00 0.00 176.35 177.00 1jkn s THR 81 N 1.46 3.78 0.31 5.49 -4.23 -1.26 -1.34 115.64 119.85 1jkn s THR 81 Ca 0.04 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1jkn s THR 81 Cb -0.16 -2.58 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1jkn s THR 81 CO -0.02 0.57 0.07 -0.72 -0.54 0.00 0.00 174.62 173.98 1jkn s TYR 82 N -0.47 1.88 0.18 3.99 1.13 -1.19 -4.72 117.35 118.16 1jkn s TYR 82 Ca 0.07 -1.01 0.08 0.00 -1.41 0.00 0.00 57.07 54.80 1jkn s TYR 82 Cb -0.12 -1.20 -0.04 0.00 -1.10 0.00 0.00 41.96 39.49 1jkn s TYR 82 CO 0.02 -0.06 -0.15 0.16 -2.51 0.00 0.00 175.55 173.00 1jkn s ASP 83 N -3.45 2.53 0.08 -0.18 1.47 -1.26 -3.04 116.67 112.81 1jkn s ASP 83 Ca 0.37 -0.96 0.10 0.00 1.18 0.00 0.00 52.55 53.24 1jkn s ASP 83 Cb 0.09 -0.13 -0.03 0.00 -0.34 0.00 0.00 42.92 42.50 1jkn s ASP 83 CO 0.15 -0.14 -0.25 -0.36 0.68 0.00 0.00 175.17 175.25 1jkn s PHE 84 N -2.65 2.20 1.11 2.11 0.08 -1.26 -4.82 117.98 114.74 1jkn s PHE 84 Ca 0.19 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 1jkn s PHE 84 Cb -0.02 -1.26 0.25 0.00 -0.57 0.00 0.00 43.02 41.42 1jkn s PHE 84 CO 0.06 0.20 1.05 -1.25 -0.10 0.00 0.00 175.22 175.19 1jkn s PRO 85 N -1.58 -0.47 0.34 0.24 0.04 -1.26 -4.37 135.00 127.95 1jkn s PRO 85 Ca 0.11 0.95 0.23 0.00 0.04 0.00 0.00 61.00 62.34 1jkn s PRO 85 Cb -0.10 -1.60 1.24 0.00 0.04 0.00 0.00 34.50 34.09 1jkn s PRO 85 CO 0.04 -3.45 1.72 -1.00 0.04 0.00 0.00 177.00 174.34 1jkn h PRO 86 N -2.43 0.00 0.01 0.56 0.13 -2.00 0.26 132.00 128.52 1jkn h PRO 86 Ca -0.58 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.24 1jkn h PRO 86 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1jkn h PRO 86 CO 0.49 0.00 -1.86 1.63 -0.23 0.00 0.00 178.00 178.04 1jkn n LYS 87 N -2.32 0.65 -0.08 0.86 4.01 -1.26 -3.14 118.16 116.87 1jkn n LYS 87 Ca -0.01 0.24 -0.16 0.00 -0.51 0.00 0.00 58.31 57.87 1jkn n LYS 87 Cb 0.06 -1.74 -0.11 0.00 -0.51 0.00 0.00 35.03 32.73 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1jkn h VAL 88 N 0.00 1.16 -0.41 -0.18 2.07 -1.58 -2.50 116.25 114.82 1jkn h VAL 88 Ca -0.34 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 65.12 1jkn h VAL 88 Cb 2.06 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 34.20 1jkn h VAL 88 CO 0.07 0.39 0.17 -0.09 0.02 0.00 0.00 177.57 178.13 1jkn h ARG 89 N -1.00 0.34 0.00 1.57 2.43 -0.73 0.74 114.38 117.73 1jkn h ARG 89 Ca -0.16 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1jkn h ARG 89 Cb 1.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1jkn h ARG 89 CO -0.10 0.23 -0.23 1.49 -1.51 0.00 0.00 179.97 179.85 1jkn h GLU 90 N 0.35 0.00 0.01 0.20 4.81 -1.70 -1.77 114.58 116.47 1jkn h GLU 90 Ca 0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1jkn h GLU 90 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1jkn h GLU 90 CO -0.16 0.23 -0.28 -0.22 -0.73 0.00 0.00 179.01 177.85 1jkn h LYS 91 N 0.00 0.18 -0.34 1.92 3.11 -0.52 -3.31 116.57 117.61 1jkn h LYS 91 Ca -0.00 -0.20 0.04 0.00 -2.81 0.00 0.00 60.65 57.68 1jkn h LYS 91 Cb 0.43 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.68 1jkn h LYS 91 CO 0.03 0.95 0.11 -0.07 -2.81 0.00 0.00 179.45 177.66 1jkn h LEU 92 N -0.50 0.10 -1.93 5.20 3.38 0.60 0.58 115.31 122.73 1jkn h LEU 92 Ca -0.04 0.04 0.40 0.00 0.09 0.00 0.00 57.88 58.38 1jkn h LEU 92 Cb 1.06 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1jkn h LEU 92 CO 0.06 0.09 0.99 0.78 0.09 0.00 0.00 178.44 180.44 1jkn h ASN 93 N 0.24 0.04 0.00 -0.43 -0.26 -1.41 1.66 115.58 115.42 1jkn h ASN 93 Ca 0.16 0.01 -0.38 0.00 -0.56 0.00 0.00 56.30 55.52 1jkn h ASN 93 Cb 0.14 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.35 1jkn h ASN 93 CO -0.17 -0.00 -2.10 -0.38 -1.06 0.00 0.00 177.43 173.72 1jkn n ILE 94 N -4.17 1.53 0.23 2.81 5.41 -0.28 -2.72 119.36 122.17 1jkn n ILE 94 Ca 0.31 -0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 1jkn n ILE 94 Cb 1.43 -1.92 -0.07 0.00 -0.71 0.00 0.00 39.64 38.36 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 -0.96 -0.58 0.01 0.38 -0.00 0.11 -3.28 115.11 110.79 1jkn h GLN 95 Ca -0.58 0.04 -0.22 0.00 -0.00 0.00 0.00 58.65 57.89 1jkn h GLN 95 Cb 1.52 0.13 -0.00 0.00 0.00 0.00 0.00 27.48 29.13 1jkn h GLN 95 CO -0.34 -0.28 -0.94 -1.49 0.00 0.00 0.00 178.83 175.78 1jkn h TRP 96 N -0.96 0.48 -0.61 3.99 4.06 0.21 -3.48 115.95 119.64 1jkn h TRP 96 Ca -0.06 -0.27 -0.02 0.00 2.06 0.00 0.00 58.89 60.59 1jkn h TRP 96 Cb 0.58 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.02 1.10 -0.04 0.41 -3.56 0.00 0.00 178.44 176.37 1jkn n GLY 97 N 0.97 0.53 3.19 1.49 0.00 0.68 -4.98 105.19 107.07 1jkn n GLY 97 Ca -0.06 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 1.65 -0.80 1.61 0.01 -1.24 -4.98 113.70 106.98 1jkn s SER 98 Ca 0.01 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1jkn s SER 98 Cb -0.01 -0.03 0.22 0.00 0.21 0.00 0.00 66.02 66.41 1jkn s SER 98 CO 0.02 -0.17 0.75 0.47 0.41 0.00 0.00 173.24 174.72 1jkn n ASP 99 N 0.81 3.96 -4.37 2.44 9.92 -1.26 -3.74 116.55 124.32 1jkn n ASP 99 Ca -0.18 -3.25 -0.28 0.00 -0.53 0.00 0.00 54.79 50.56 1jkn n ASP 99 Cb 0.56 -0.90 -0.13 0.00 -0.64 0.00 0.00 41.12 40.01 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 -1.78 2.18 0.21 1.24 0.23 -1.26 -5.00 118.94 114.76 1jkn s TRP 100 Ca 0.30 -0.39 -0.02 0.00 -2.03 0.00 0.00 56.10 53.96 1jkn s TRP 100 Cb -0.00 -1.18 0.17 0.00 0.03 0.00 0.00 33.47 32.49 1jkn s TRP 100 CO -0.10 0.32 1.55 0.87 0.96 0.00 0.00 176.95 180.56 1jkn h LYS 101 N 3.87 0.54 0.00 4.98 1.79 -1.82 -3.49 116.57 122.44 1jkn h LYS 101 Ca -0.49 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1jkn h LYS 101 Cb 1.18 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jkn h LYS 101 CO 0.40 0.90 0.00 0.41 -1.08 0.00 0.00 179.45 180.08 1jkn n GLY 102 N 0.12 2.19 3.21 3.86 0.00 -1.26 -4.23 105.19 109.09 1jkn n GLY 102 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 4.33 0.47 -0.49 1.61 -1.52 -1.17 -3.75 119.66 119.14 1jkn s GLN 103 Ca 0.00 0.98 -0.18 0.00 -1.95 0.00 0.00 55.36 54.22 1jkn s GLN 103 Cb 0.00 0.31 0.06 0.00 -0.22 0.00 0.00 33.01 33.16 1jkn s GLN 103 CO 0.00 -0.47 0.53 0.00 -0.25 0.00 0.00 175.29 175.10 1jkn s ALA 104 N 2.74 3.45 0.20 6.09 0.00 -1.19 -3.13 121.76 129.92 1jkn s ALA 104 Ca 0.09 -1.84 0.10 0.00 0.00 0.00 0.00 51.96 50.30 1jkn s ALA 104 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1jkn s ALA 104 CO -0.18 -1.87 -0.19 1.14 0.00 0.00 0.00 175.76 174.66 1jkn s GLN 105 N 2.25 1.41 -0.54 0.00 -2.07 -0.45 -3.41 119.66 116.84 1jkn s GLN 105 Ca 0.11 -1.52 -0.07 0.00 -1.82 0.00 0.00 55.36 52.06 1jkn s GLN 105 Cb -0.21 -1.49 0.14 0.00 -1.09 0.00 0.00 33.01 30.36 1jkn s GLN 105 CO 0.10 0.30 0.39 0.15 -1.32 0.00 0.00 175.29 174.91 1jkn s LYS 106 N -3.01 2.52 0.61 9.60 -0.14 -1.17 0.67 119.74 128.82 1jkn s LYS 106 Ca 0.20 -2.05 -0.19 0.00 -1.36 0.00 0.00 55.97 52.58 1jkn s LYS 106 Cb -0.05 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.21 1jkn s LYS 106 CO 0.09 -1.18 1.25 -1.58 -0.76 0.00 0.00 175.35 173.18 1jkn s TRP 107 N 0.82 2.25 -0.03 3.18 0.52 -1.26 -3.93 118.94 120.49 1jkn s TRP 107 Ca 0.10 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.74 1jkn s TRP 107 Cb -0.22 -3.59 0.01 0.00 -1.15 0.00 0.00 33.47 28.52 1jkn s TRP 107 CO -0.03 -2.55 -0.07 -0.06 0.02 0.00 0.00 176.95 174.25 1jkn s PHE 108 N -1.49 0.89 0.05 -1.98 0.40 -0.99 -2.03 117.98 112.84 1jkn s PHE 108 Ca 0.79 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.58 1jkn s PHE 108 Cb -0.34 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1jkn s PHE 108 CO 0.37 -0.14 0.99 -1.17 0.70 0.00 0.00 175.22 175.96 1jkn s LEU 109 N 0.46 4.43 -0.08 -0.37 2.96 0.31 0.06 118.68 126.45 1jkn s LEU 109 Ca -0.07 1.75 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1jkn s LEU 109 Cb -0.11 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1jkn s LEU 109 CO 0.01 -0.19 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.33 1jkn s PHE 110 N 0.56 1.75 -0.26 5.38 0.40 0.41 0.77 117.98 127.00 1jkn s PHE 110 Ca 0.50 -0.69 -0.17 0.00 -0.60 0.00 0.00 56.93 55.98 1jkn s PHE 110 Cb -0.23 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1jkn s PHE 110 CO 0.29 -0.33 0.46 0.21 0.70 0.00 0.00 175.22 176.55 1jkn s LYS 111 N 0.63 4.06 0.09 0.44 2.20 0.33 -1.05 119.74 126.44 1jkn s LYS 111 Ca -0.15 0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.37 1jkn s LYS 111 Cb -0.16 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.42 1jkn s LYS 111 CO 0.04 -0.31 1.68 0.12 -0.36 0.00 0.00 175.35 176.53 1jkn s PHE 112 N 2.17 2.41 -0.25 4.03 5.36 -0.76 -2.23 117.98 128.71 1jkn s PHE 112 Ca 0.19 0.27 0.14 0.00 -0.96 0.00 0.00 56.93 56.57 1jkn s PHE 112 Cb -0.16 -4.00 0.47 0.00 -0.34 0.00 0.00 43.02 38.99 1jkn s PHE 112 CO 0.09 -4.03 1.17 0.25 -1.46 0.00 0.00 175.22 171.24 1jkn n THR 113 N 4.68 1.89 -0.99 0.12 -2.24 0.26 -4.74 114.28 113.26 1jkn n THR 113 Ca 0.16 -3.42 0.00 0.00 -2.27 0.00 0.00 64.05 58.52 1jkn n THR 113 Cb 0.40 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1jkn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 114 N -0.63 5.56 3.25 3.38 0.00 -1.19 -4.76 105.19 110.81 1jkn n GLY 114 Ca 0.26 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 3.52 1.06 0.46 1.61 -0.21 -1.26 -5.00 119.66 119.84 1jkn s GLN 115 Ca 0.00 -1.25 0.15 0.00 0.02 0.00 0.00 55.36 54.28 1jkn s GLN 115 Cb 0.00 -0.99 0.80 0.00 1.00 0.00 0.00 33.01 33.82 1jkn s GLN 115 CO 0.00 0.20 1.37 -0.44 -2.12 0.00 0.00 175.29 174.30 1jkn h ASP 116 N 3.55 0.00 1.47 5.90 3.32 -2.02 0.80 116.42 129.44 1jkn h ASP 116 Ca -0.41 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1jkn h ASP 116 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1jkn h ASP 116 CO 0.49 0.00 -0.22 1.56 -1.72 0.00 0.00 179.24 179.36 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 7.50 -2.03 -3.09 115.11 121.05 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1jkn h GLN 117 Cb 0.89 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.41 1jkn h GLN 117 CO 0.00 0.22 -0.45 1.49 -1.50 0.00 0.00 178.83 178.58 1jkn h GLU 118 N 0.00 0.00 -5.96 1.46 4.57 0.29 -3.42 114.58 111.52 1jkn h GLU 118 Ca -0.00 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 1jkn h GLU 118 Cb 1.01 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 1jkn h GLU 118 CO 0.03 0.45 1.19 0.42 -1.18 0.00 0.00 179.01 179.92 1jkn s ILE 119 N -3.16 3.43 -0.52 2.32 1.01 -1.17 -3.72 121.20 119.39 1jkn s ILE 119 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1jkn s ILE 119 Cb 0.09 -4.10 0.14 0.00 0.01 0.00 0.00 42.46 38.59 1jkn s ILE 119 CO 0.72 -1.06 0.34 0.21 0.00 0.00 0.00 174.94 175.15 1jkn s ASN 120 N 7.52 5.34 0.64 3.58 2.47 0.18 -4.93 114.94 129.73 1jkn s ASN 120 Ca 0.64 -2.38 0.35 0.00 0.42 0.00 0.00 52.86 51.88 1jkn s ASN 120 Cb -0.10 -1.87 1.95 0.00 -1.45 0.00 0.00 41.25 39.78 1jkn s ASN 120 CO 0.14 -0.49 2.16 -0.07 -3.72 0.00 0.00 177.10 175.12 1jkn h LEU 121 N 7.66 0.00 0.76 3.21 3.38 -1.76 -2.01 115.31 126.54 1jkn h LEU 121 Ca -0.08 0.00 -0.04 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 -0.36 -0.07 0.09 0.00 0.00 178.44 178.82 1jkn h LEU 122 N 0.00 -0.86 0.00 1.67 3.38 -1.83 -3.31 115.31 114.36 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 0.34 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1jkn h LEU 122 CO -0.00 -0.51 0.00 0.61 0.09 0.00 0.00 178.44 178.63 1jkn n GLY 123 N -0.98 0.70 1.91 0.83 0.00 -0.88 -2.88 105.19 103.88 1jkn n GLY 123 Ca -0.13 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 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 6.25 -0.64 1.61 5.75 0.29 -4.71 116.55 125.10 1jkn n ASP 124 Ca 0.00 -3.12 -0.06 0.00 -0.01 0.00 0.00 54.79 51.60 1jkn n ASP 124 Cb 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 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 0.14 0.39 0.88 6.12 0.00 -1.26 -4.92 105.19 106.54 1jkn n GLY 125 Ca 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.85 0.00 -4.91 1.61 7.64 -1.26 -5.10 113.62 112.45 1jkn n SER 126 Ca -0.07 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.54 1jkn n SER 126 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jkn s GLU 127 N -0.81 2.85 0.27 1.43 0.41 -1.26 -5.07 118.70 116.52 1jkn s GLU 127 Ca 0.00 0.04 -0.16 0.00 -0.41 0.00 0.00 54.97 54.44 1jkn s GLU 127 Cb 0.00 -2.23 -0.08 0.00 -1.78 0.00 0.00 34.13 30.04 1jkn s GLU 127 CO 0.00 -0.79 0.70 0.15 -0.49 0.00 0.00 175.26 174.84 1jkn s LYS 128 N -5.06 4.06 -0.02 1.61 1.02 -1.26 -4.48 119.74 115.62 1jkn s LYS 128 Ca 0.55 0.69 -0.36 0.00 0.02 0.00 0.00 55.97 56.86 1jkn s LYS 128 Cb -0.11 -2.62 -0.15 0.00 -0.52 0.00 0.00 37.83 34.43 1jkn s LYS 128 CO 0.46 0.27 1.59 -2.30 -0.92 0.00 0.00 175.35 174.45 1jkn n PRO 129 N 0.08 1.57 -0.05 -1.68 -0.02 -1.14 -4.87 135.00 128.88 1jkn n PRO 129 Ca 0.01 0.57 -0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1jkn n PRO 129 Cb 0.52 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.17 2.09 -4.29 -0.52 4.71 -1.25 -4.97 120.64 120.59 1jkn n GLU 130 Ca 0.21 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.16 57.11 1jkn n GLU 130 Cb 0.22 -1.28 -0.07 0.00 -1.01 0.00 0.00 31.44 29.30 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1jkn s PHE 131 N -2.30 2.71 -0.01 -0.32 0.08 -1.26 -2.35 117.98 114.53 1jkn s PHE 131 Ca -0.05 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.82 1jkn s PHE 131 Cb 0.04 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.21 1jkn s PHE 131 CO 0.45 0.61 0.09 0.41 -0.10 0.00 0.00 175.22 176.68 1jkn n GLY 132 N -0.83 -0.18 3.61 4.36 0.00 -0.57 -4.67 105.19 106.91 1jkn n GLY 132 Ca -0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -2.27 1.82 -0.00 1.61 0.41 -1.25 -5.00 118.70 114.02 1jkn s GLU 133 Ca -0.01 -1.46 -0.22 0.00 -0.41 0.00 0.00 54.97 52.87 1jkn s GLU 133 Cb 0.03 0.50 0.04 0.00 -1.78 0.00 0.00 34.13 32.92 1jkn s GLU 133 CO 0.17 -0.78 0.48 1.67 -0.49 0.00 0.00 175.26 176.30 1jkn s TRP 134 N -3.34 -0.38 0.13 1.61 1.48 -1.26 -0.33 118.94 116.84 1jkn s TRP 134 Ca 0.24 0.56 -0.11 0.00 -1.06 0.00 0.00 56.10 55.72 1jkn s TRP 134 Cb -0.02 0.26 0.01 0.00 -1.16 0.00 0.00 33.47 32.56 1jkn s TRP 134 CO 0.13 -0.53 0.30 -1.54 -4.06 0.00 0.00 176.95 171.25 1jkn s SER 135 N -1.52 -0.03 -0.19 -2.66 1.04 0.26 -4.97 113.70 105.63 1jkn s SER 135 Ca -0.10 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.60 1jkn s SER 135 Cb -0.02 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1jkn s SER 135 CO 0.04 -0.84 0.24 0.26 0.98 0.00 0.00 173.24 173.92 1jkn s TRP 136 N -3.87 3.40 0.05 5.02 0.52 -1.26 -0.93 118.94 121.87 1jkn s TRP 136 Ca 0.08 0.46 0.00 0.00 0.02 0.00 0.00 56.10 56.66 1jkn s TRP 136 Cb 0.03 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1jkn s TRP 136 CO -0.08 0.18 -0.04 0.14 0.02 0.00 0.00 176.95 177.17 1jkn s VAL 137 N 0.69 0.30 0.52 4.03 -7.23 -1.02 -4.84 120.40 112.85 1jkn s VAL 137 Ca 0.13 -1.45 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 1jkn s VAL 137 Cb -0.13 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.72 1jkn s VAL 137 CO 0.03 -0.74 1.04 0.42 -0.31 0.00 0.00 175.10 175.55 1jkn s THR 138 N -2.75 3.81 0.64 5.32 -4.23 -1.26 0.20 115.64 117.37 1jkn s THR 138 Ca -0.02 1.04 0.22 0.00 -1.18 0.00 0.00 61.69 61.75 1jkn s THR 138 Cb -0.01 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.66 1jkn s THR 138 CO -0.05 -0.33 1.60 1.55 -0.54 0.00 0.00 174.62 176.86 1jkn h PRO 139 N 1.22 0.00 0.07 3.99 0.13 -1.94 0.90 132.00 136.37 1jkn h PRO 139 Ca -0.49 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 1jkn h PRO 139 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.59 0.00 -1.72 0.93 -0.23 0.00 0.00 178.00 177.57 1jkn h GLU 140 N 0.00 0.15 0.09 0.86 4.39 -1.99 -3.26 114.58 114.82 1jkn h GLU 140 Ca 0.13 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1jkn h GLU 140 Cb 1.45 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1jkn h GLU 140 CO -0.00 0.91 -0.04 1.96 -1.16 0.00 0.00 179.01 180.67 1jkn h GLN 141 N 0.04 -0.11 -0.94 2.33 4.20 0.42 -2.77 115.11 118.28 1jkn h GLN 141 Ca -0.30 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.61 1jkn h GLN 141 Cb 2.01 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.74 1jkn h GLN 141 CO 0.11 0.31 0.61 1.25 -0.67 0.00 0.00 178.83 180.44 1jkn h LEU 142 N -0.58 0.53 -1.83 1.46 7.12 -1.30 1.18 115.31 121.89 1jkn h LEU 142 Ca -0.01 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.03 1jkn h LEU 142 Cb 0.48 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1jkn h LEU 142 CO 0.02 0.20 -0.12 0.40 -0.13 0.00 0.00 178.44 178.81 1jkn h ILE 143 N 0.52 0.97 0.00 4.05 1.08 -1.56 0.34 117.51 122.92 1jkn h ILE 143 Ca 0.51 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1jkn h ILE 143 Cb 1.10 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1jkn h ILE 143 CO -0.24 0.12 -0.19 -0.78 -0.69 0.00 0.00 178.15 176.37 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 3.58 0.17 -3.28 116.42 118.85 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 0.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1jkn h ASP 144 CO 0.02 0.00 -1.78 -0.07 -2.88 0.00 0.00 179.24 174.53 1jkn h LEU 145 N 0.00 0.48-10.00 2.28 3.38 0.03 -3.47 115.31 108.01 1jkn h LEU 145 Ca 0.00 -0.80 -0.50 0.00 0.09 0.00 0.00 57.88 56.67 1jkn h LEU 145 Cb 0.99 -0.16 0.21 0.00 0.09 0.00 0.00 40.66 41.80 1jkn h LEU 145 CO 0.00 1.69 -0.27 0.41 0.09 0.00 0.00 178.44 180.37 1jkn n THR 146 N -3.50 0.00 -3.23 0.22 -1.04 0.10 -4.48 114.28 102.36 1jkn n THR 146 Ca -0.25 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.33 1jkn n THR 146 Cb 1.06 -0.83 -0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 -2.45 4.77 0.29 12.58 0.11 -1.26 -4.83 120.40 129.60 1jkn s VAL 147 Ca 0.63 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1jkn s VAL 147 Cb -0.21 -3.75 0.28 0.00 -1.53 0.00 0.00 36.38 31.17 1jkn s VAL 147 CO 0.64 -0.51 1.74 -0.08 -3.33 0.00 0.00 175.10 173.56 1jkn h GLU 148 N 0.62 0.56 -0.10 1.54 4.81 -1.96 0.54 114.58 120.60 1jkn h GLU 148 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1jkn h GLU 148 Cb 1.23 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1jkn h GLU 148 CO 0.60 0.37 0.00 1.97 -0.73 0.00 0.00 179.01 181.22 1jkn n PHE 149 N -4.90 0.12 -0.23 0.92 1.16 -1.26 -3.45 117.46 109.81 1jkn n PHE 149 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 1jkn n PHE 149 Cb 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 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 -0.23 1.33 0.24 3.97 5.02 0.14 -4.27 118.16 124.36 1jkn n LYS 150 Ca 0.12 -0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1jkn n LYS 150 Cb 0.17 -0.61 -0.08 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.76 -0.70 1.97 1.57 -0.35 -1.79 116.57 116.51 1jkn h LYS 151 Ca 0.00 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jkn h LYS 151 Cb 0.12 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1jkn h LYS 151 CO 0.00 -0.51 0.43 -1.00 -0.57 0.00 0.00 179.45 177.80 1jkn h PRO 152 N -0.79 0.94 -0.45 3.15 0.13 -1.87 0.19 132.00 133.30 1jkn h PRO 152 Ca -0.05 -0.08 0.13 0.00 -0.87 0.00 0.00 66.00 65.13 1jkn h PRO 152 Cb 0.68 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1jkn h PRO 152 CO -0.03 0.65 0.34 0.28 -0.23 0.00 0.00 178.00 179.01 1jkn h VAL 153 N 0.95 0.72 0.00 1.56 2.07 -1.84 0.77 116.25 120.48 1jkn h VAL 153 Ca 0.25 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.60 1jkn h VAL 153 Cb -0.05 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jkn h VAL 153 CO -0.05 0.00 -1.13 -1.22 0.02 0.00 0.00 177.57 175.19 1jkn n TYR 154 N -4.31 0.88 -0.29 1.57 4.02 -0.68 -3.75 117.16 114.61 1jkn n TYR 154 Ca 0.08 0.38 0.25 0.00 -0.01 0.00 0.00 57.90 58.60 1jkn n TYR 154 Cb 0.54 -0.98 0.59 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.25 -0.30 -0.72 3.64 -0.38 0.44 116.57 118.51 1jkn h LYS 155 Ca -0.26 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1jkn h LYS 155 Cb 1.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1jkn h LYS 155 CO -0.16 0.17 0.03 1.49 -2.27 0.00 0.00 179.45 178.71 1jkn h GLU 156 N 0.26 0.51 -0.21 1.90 4.57 -1.02 0.49 114.58 121.08 1jkn h GLU 156 Ca 0.54 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 1jkn h GLU 156 Cb 1.62 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 1jkn h GLU 156 CO -0.18 0.62 0.06 0.28 -1.18 0.00 0.00 179.01 178.62 1jkn h VAL 157 N 0.32 0.93 -0.11 0.32 2.07 -0.27 0.81 116.25 120.32 1jkn h VAL 157 Ca 0.09 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1jkn h VAL 157 Cb 0.37 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1jkn h VAL 157 CO 0.01 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 1jkn h LEU 158 N 0.15 0.15 -0.64 2.57 3.38 -1.05 -0.88 115.31 118.99 1jkn h LEU 158 Ca 0.09 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1jkn h LEU 158 Cb 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 1jkn h LEU 158 CO -0.11 0.28 0.07 0.28 0.09 0.00 0.00 178.44 179.06 1jkn h SER 159 N 0.00 -0.15 0.73 -0.43 0.02 0.38 1.88 113.55 115.99 1jkn h SER 159 Ca 0.03 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jkn h SER 159 Cb 0.19 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1jkn h SER 159 CO -0.00 -0.07 -0.22 0.58 -1.14 0.00 0.00 176.83 175.98 1jkn h VAL 160 N 0.18 0.62 -0.49 2.27 2.07 -0.64 -2.65 116.25 117.62 1jkn h VAL 160 Ca 0.35 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jkn h VAL 160 Cb 0.56 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1jkn h VAL 160 CO -0.50 0.21 0.00 0.49 0.02 0.00 0.00 177.57 177.79 1jkn n PHE 161 N -3.50 1.02 0.09 1.57 3.72 0.19 -4.67 117.46 115.88 1jkn n PHE 161 Ca -0.01 -0.62 -0.13 0.00 -0.05 0.00 0.00 57.45 56.64 1jkn n PHE 161 Cb 0.38 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 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 3.02 -0.63 -0.29 4.37 0.00 0.30 0.97 119.26 126.99 1jkn h ALA 162 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jkn h ALA 162 Cb 1.19 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1jkn h ALA 162 CO 0.14 -0.92 0.44 -1.00 0.00 0.00 0.00 179.25 177.91 1jkn h PRO 163 N -0.58 0.00 0.00 0.00 0.13 -1.83 0.48 132.00 130.20 1jkn h PRO 163 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1jkn h PRO 163 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1jkn h PRO 163 CO -0.25 0.00 -1.33 0.72 -0.23 0.00 0.00 178.00 176.91 1jkn n HIS 164 N -3.42 0.70 0.66 1.56 8.25 -0.34 -5.24 115.22 117.40 1jkn n HIS 164 Ca 0.05 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.79 1jkn n HIS 164 Cb 0.58 -0.85 0.07 0.00 1.12 0.00 0.00 29.99 30.90 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26