#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn s PRO 2 N 0.00 0.24 -0.07 1.61 0.04 -1.26 -5.04 135.00 130.52 1jkn s PRO 2 Ca 0.00 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 1jkn s PRO 2 Cb 0.00 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 1jkn s PRO 2 CO 0.00 -2.84 0.28 -0.48 0.04 0.00 0.00 177.00 174.00 1jkn s LEU 3 N -6.50 4.41 0.00 -3.56 0.05 -1.26 -4.60 118.68 107.21 1jkn s LEU 3 Ca 0.66 0.69 0.00 0.00 0.05 0.00 0.00 54.13 55.53 1jkn s LEU 3 Cb -0.18 -2.34 0.00 0.00 -2.05 0.00 0.00 46.19 41.62 1jkn s LEU 3 CO 0.57 0.32 0.00 0.61 -0.55 0.00 0.00 176.35 177.31 1jkn n GLY 4 N 2.13 0.77 0.00 -3.48 0.00 -1.26 -5.12 105.19 98.23 1jkn n GLY 4 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 5 N 0.00 0.00 -0.02 1.61 2.88 -1.26 -4.95 113.62 111.87 1jkn n SER 5 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1jkn n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1jkn n SER 5 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1jkn n MET 6 N -0.74 3.23 -1.35 -1.46 2.81 0.95 -4.90 117.12 115.65 1jkn n MET 6 Ca 0.00 -0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1jkn n MET 6 Cb 0.00 -1.11 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jkn n ASP 7 N -2.17 -5.47 0.00 7.83 9.92 -1.25 -4.77 116.55 120.63 1jkn n ASP 7 Ca -0.07 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1jkn n ASP 7 Cb 0.64 -4.04 0.00 0.00 -0.64 0.00 0.00 41.12 37.08 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1jkn n SER 8 N -1.03 0.00 -4.61 -2.24 3.41 -1.26 -4.79 113.62 103.10 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 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.17 3.60 0.60 4.33 0.04 -1.26 -4.76 135.00 136.38 1jkn s PRO 9 Ca 0.00 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.24 1jkn s PRO 9 Cb 0.00 -4.06 0.14 0.00 0.04 0.00 0.00 34.50 30.63 1jkn s PRO 9 CO 0.00 -1.52 0.63 -2.30 0.04 0.00 0.00 177.00 173.84 1jkn n PRO 10 N 7.98 -1.57 -3.38 0.56 -0.02 -1.26 -5.05 135.00 132.27 1jkn n PRO 10 Ca 0.19 -0.99 -0.32 0.00 -2.02 0.00 0.00 63.50 60.35 1jkn n PRO 10 Cb 0.47 -0.81 -0.05 0.00 -0.02 0.00 0.00 33.50 33.08 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 -4.40 3.85 0.00 -0.52 8.01 -1.26 -4.10 118.70 120.28 1jkn s GLU 11 Ca 0.38 0.34 0.00 0.00 0.01 0.00 0.00 54.97 55.71 1jkn s GLU 11 Cb -0.03 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 1jkn s GLU 11 CO 0.28 0.32 0.00 0.41 0.01 0.00 0.00 175.26 176.29 1jkn n GLY 12 N -0.03 3.30 3.55 -1.39 0.00 -1.26 -4.99 105.19 104.38 1jkn n GLY 12 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -2.42 2.99 0.52 1.61 1.51 -1.26 -1.28 117.35 119.03 1jkn s TYR 13 Ca 0.00 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.76 1jkn s TYR 13 Cb 0.00 -1.82 -0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1jkn s TYR 13 CO 0.00 0.18 1.03 1.03 -1.11 0.00 0.00 175.55 176.68 1jkn s ARG 14 N -0.31 3.70 0.13 -0.62 0.52 -1.13 -4.45 118.95 116.78 1jkn s ARG 14 Ca 0.05 1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 56.17 1jkn s ARG 14 Cb -0.13 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.19 1jkn s ARG 14 CO 0.02 -0.50 1.13 1.03 0.02 0.00 0.00 175.30 177.01 1jkn s ARG 15 N -3.66 4.53 0.14 3.54 0.52 -1.26 -1.50 118.95 121.26 1jkn s ARG 15 Ca 0.64 1.72 -0.14 0.00 -0.52 0.00 0.00 55.73 57.43 1jkn s ARG 15 Cb -0.14 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1jkn s ARG 15 CO 0.27 -0.06 0.38 -0.80 0.02 0.00 0.00 175.30 175.11 1jkn s ASN 16 N 0.38 -0.15 -0.07 0.23 -0.87 -1.08 -1.81 114.94 111.58 1jkn s ASN 16 Ca 0.53 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 51.34 1jkn s ASN 16 Cb -0.29 0.47 0.02 0.00 -0.02 0.00 0.00 41.25 41.43 1jkn s ASN 16 CO 0.33 -0.89 -0.06 0.68 -2.57 0.00 0.00 177.10 174.59 1jkn s VAL 17 N -3.85 0.75 -0.07 1.60 -7.23 0.26 -3.11 120.40 108.75 1jkn s VAL 17 Ca 0.07 -0.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 1jkn s VAL 17 Cb 0.02 -0.77 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1jkn s VAL 17 CO -0.08 0.29 0.28 -0.83 -0.31 0.00 0.00 175.10 174.46 1jkn s GLY 18 N 1.25 2.31 -0.40 2.32 0.00 -1.24 -1.90 107.32 109.66 1jkn s GLY 18 Ca -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1jkn s GLY 18 CO -0.02 -0.04 0.20 -0.42 0.00 0.00 0.00 173.10 172.82 1jkn s ILE 19 N -0.87 3.49 -0.60 0.90 1.09 -0.24 0.17 121.20 125.14 1jkn s ILE 19 Ca 0.19 -1.84 -0.22 0.00 -1.10 0.00 0.00 60.65 57.68 1jkn s ILE 19 Cb -0.14 -3.29 0.07 0.00 -1.06 0.00 0.00 42.46 38.03 1jkn s ILE 19 CO 0.08 -0.60 0.87 0.00 -0.10 0.00 0.00 174.94 175.19 1jkn s LEU 21 N 3.60 4.04 0.16 0.00 2.96 -1.26 0.20 118.68 128.38 1jkn s LEU 21 Ca 0.21 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1jkn s LEU 21 Cb -0.17 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1jkn s LEU 21 CO 0.12 0.25 -0.14 0.00 -1.32 0.00 0.00 176.35 175.26 1jkn s MET 22 N -1.91 1.16 0.61 1.98 0.23 0.87 0.12 119.30 122.35 1jkn s MET 22 Ca 0.25 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 1jkn s MET 22 Cb -0.12 -0.99 0.07 0.00 -1.53 0.00 0.00 34.83 32.26 1jkn s MET 22 CO 0.17 0.18 0.84 1.21 -2.03 0.00 0.00 175.02 175.39 1jkn s ASN 23 N -2.86 4.95 0.41 -1.18 2.47 -0.36 -1.66 114.94 116.71 1jkn s ASN 23 Ca 0.15 -0.23 0.29 0.00 0.42 0.00 0.00 52.86 53.49 1jkn s ASN 23 Cb -0.03 -0.46 1.42 0.00 -1.45 0.00 0.00 41.25 40.73 1jkn s ASN 23 CO 0.04 -1.40 1.87 -1.13 -3.72 0.00 0.00 177.10 172.77 1jkn h ASN 24 N -0.10 0.00 0.02 -4.21 -1.24 -1.91 -0.06 115.58 108.08 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1jkn h ASN 24 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 1jkn h ASN 24 CO 0.47 0.00 -0.03 0.47 -1.29 0.00 0.00 177.43 177.04 1jkn n ASP 25 N -2.54 1.34 0.00 1.15 8.00 -1.26 -4.91 116.55 118.33 1jkn n ASP 25 Ca -0.01 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1jkn n ASP 25 Cb 0.13 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.01 0.00 -2.67 -1.24 5.02 -0.04 -5.06 118.16 114.16 1jkn n LYS 26 Ca 0.18 0.25 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 1jkn n LYS 26 Cb 0.34 -3.44 0.04 0.00 -0.02 0.00 0.00 35.03 31.95 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 -2.70 2.52 -0.22 1.97 1.02 -1.25 -4.78 119.74 116.30 1jkn s LYS 27 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 1jkn s LYS 27 Cb 0.00 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1jkn s LYS 27 CO 0.00 -0.72 -0.01 0.42 -0.92 0.00 0.00 175.35 174.12 1jkn s ILE 28 N -2.75 3.72 -0.39 2.17 1.09 0.32 -1.23 121.20 124.14 1jkn s ILE 28 Ca 0.58 -0.38 -0.31 0.00 -1.10 0.00 0.00 60.65 59.43 1jkn s ILE 28 Cb -0.10 -2.70 -0.10 0.00 -1.06 0.00 0.00 42.46 38.50 1jkn s ILE 28 CO 0.38 0.41 2.28 0.33 -0.10 0.00 0.00 174.94 178.24 1jkn n PHE 29 N 4.64 1.59 -5.06 3.97 7.35 0.31 -2.94 117.46 127.32 1jkn n PHE 29 Ca -0.17 0.15 -0.32 0.00 -0.76 0.00 0.00 57.45 56.35 1jkn n PHE 29 Cb 0.51 -2.59 -0.15 0.00 0.35 0.00 0.00 39.48 37.61 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 8.56 2.43 0.01 3.13 0.00 -0.75 -4.62 121.76 130.52 1jkn s ALA 30 Ca 1.07 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1jkn s ALA 30 Cb -0.63 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1jkn s ALA 30 CO 0.41 0.48 -0.19 0.00 0.00 0.00 0.00 175.76 176.47 1jkn s ALA 31 N -0.44 1.55 0.54 0.00 0.00 0.47 0.60 121.76 124.49 1jkn s ALA 31 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1jkn s ALA 31 Cb -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1jkn s ALA 31 CO 0.01 0.36 0.94 -1.54 0.00 0.00 0.00 175.76 175.54 1jkn s SER 32 N -0.71 6.35 0.82 0.00 1.04 0.17 -0.37 113.70 121.00 1jkn s SER 32 Ca 0.07 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.69 1jkn s SER 32 Cb -0.08 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.72 1jkn s SER 32 CO 0.00 -0.70 1.09 -0.13 0.98 0.00 0.00 173.24 174.49 1jkn s ARG 33 N -4.72 1.88 0.00 4.02 0.52 0.36 -2.99 118.95 118.03 1jkn s ARG 33 Ca 0.54 0.78 0.23 0.00 -0.52 0.00 0.00 55.73 56.75 1jkn s ARG 33 Cb -0.11 -1.88 0.06 0.00 0.52 0.00 0.00 34.95 33.54 1jkn s ARG 33 CO 0.45 -1.79 1.11 1.28 0.02 0.00 0.00 175.30 176.37 1jkn n LEU 34 N -3.57 1.43 0.00 2.53 4.77 -0.98 -3.94 117.00 117.24 1jkn n LEU 34 Ca 0.07 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1jkn n LEU 34 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jkn n LEU 34 CO 0.56 0.29 -0.24 -0.67 -1.33 0.00 0.00 177.39 176.00 1jkn n ASP 35 N -0.72 2.35 -4.06 -1.43 -0.08 -1.26 -4.98 116.55 106.38 1jkn n ASP 35 Ca 0.08 -0.05 -0.32 0.00 -1.51 0.00 0.00 54.79 52.99 1jkn n ASP 35 Cb 0.40 0.57 -0.15 0.00 2.34 0.00 0.00 41.12 44.28 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jkn s ILE 36 N -1.04 2.02 0.20 5.18 1.01 -1.26 -5.10 121.20 122.20 1jkn s ILE 36 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 58.95 1jkn s ILE 36 Cb 0.00 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.29 1jkn s ILE 36 CO 0.00 0.09 1.47 -2.16 0.00 0.00 0.00 174.94 174.34 1jkn s PRO 37 N 1.20 4.26 0.00 2.79 0.04 -1.26 -1.91 135.00 140.12 1jkn s PRO 37 Ca -0.05 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.26 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 -0.07 -0.47 0.00 -3.47 0.04 0.00 0.00 177.00 173.03 1jkn n ASP 38 N 3.12 -1.26 -4.42 6.66 -0.08 -1.26 -4.97 116.55 114.34 1jkn n ASP 38 Ca 0.10 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.94 1jkn n ASP 38 Cb 0.40 -0.48 -0.04 0.00 2.34 0.00 0.00 41.12 43.35 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 -3.00 3.29 0.18 -1.67 0.00 -0.80 -4.98 121.76 114.78 1jkn s ALA 39 Ca 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 51.96 49.79 1jkn s ALA 39 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1jkn s ALA 39 CO 0.00 -2.67 0.25 -1.58 0.00 0.00 0.00 175.76 171.76 1jkn s TRP 40 N 3.22 3.34 0.12 0.00 0.52 -1.26 0.14 118.94 125.01 1jkn s TRP 40 Ca 0.21 0.02 -0.15 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 40 Cb -0.16 -1.57 0.05 0.00 -1.15 0.00 0.00 33.47 30.64 1jkn s TRP 40 CO 0.04 0.50 0.70 0.00 0.02 0.00 0.00 176.95 178.22 1jkn n GLN 41 N -0.74 0.43 -4.13 4.98 0.00 0.51 -4.38 117.38 114.04 1jkn n GLN 41 Ca -0.08 -0.99 -0.25 0.00 0.00 0.00 0.00 57.00 55.68 1jkn n GLN 41 Cb 0.55 1.35 -0.06 0.00 0.00 0.00 0.00 30.24 32.08 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 2.76 0.18 2.61 -1.94 -1.26 -0.39 119.30 119.22 1jkn s MET 42 Ca 0.16 -1.01 -0.31 0.00 -1.71 0.00 0.00 55.69 52.82 1jkn s MET 42 Cb -0.02 -2.53 -0.09 0.00 2.01 0.00 0.00 34.83 34.20 1jkn s MET 42 CO 0.04 0.45 1.42 -1.25 -0.01 0.00 0.00 175.02 175.67 1jkn s PRO 43 N -3.31 4.30 0.08 2.03 0.04 -1.26 -4.94 135.00 131.93 1jkn s PRO 43 Ca 0.31 2.20 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 1jkn s PRO 43 Cb -0.09 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1jkn s PRO 43 CO 0.23 -0.43 0.34 1.14 0.04 0.00 0.00 177.00 178.31 1jkn s GLN 44 N 0.44 0.92 0.28 4.56 1.03 -1.26 -1.08 119.66 124.55 1jkn s GLN 44 Ca 0.63 -0.62 -0.17 0.00 0.04 0.00 0.00 55.36 55.24 1jkn s GLN 44 Cb -0.40 0.40 0.01 0.00 0.03 0.00 0.00 33.01 33.06 1jkn s GLN 44 CO 0.36 -0.32 0.63 0.20 -2.54 0.00 0.00 175.29 173.61 1jkn s GLY 45 N -2.43 0.26 0.04 2.60 0.00 -0.80 -4.89 107.32 102.11 1jkn s GLY 45 Ca -0.01 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 1jkn s GLY 45 CO -0.07 -0.35 0.67 -0.32 0.00 0.00 0.00 173.10 173.03 1jkn s GLY 46 N -2.99 2.71 0.82 0.20 0.00 -1.26 0.91 107.32 107.71 1jkn s GLY 46 Ca 0.17 0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 1jkn s GLY 46 CO 0.09 0.85 1.10 -0.42 0.00 0.00 0.00 173.10 174.71 1jkn s ILE 47 N -0.35 3.05 0.45 0.90 1.01 -0.75 -4.81 121.20 120.70 1jkn s ILE 47 Ca 0.34 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.27 1jkn s ILE 47 Cb -0.20 -2.77 0.10 0.00 0.01 0.00 0.00 42.46 39.61 1jkn s ILE 47 CO 0.20 -0.44 0.61 0.47 0.00 0.00 0.00 174.94 175.78 1jkn n ASP 48 N -3.69 0.24 -4.55 3.58 9.92 -1.26 -4.88 116.55 115.91 1jkn n ASP 48 Ca 0.09 -1.34 -0.40 0.00 -0.53 0.00 0.00 54.79 52.61 1jkn n ASP 48 Cb 0.53 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 1jkn n ASP 48 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1jkn s GLU 49 N -4.23 3.09 -0.51 -1.24 8.01 -1.26 -3.53 118.70 119.02 1jkn s GLU 49 Ca 0.36 -0.10 -0.00 0.00 0.01 0.00 0.00 54.97 55.23 1jkn s GLU 49 Cb -0.01 -4.27 -0.00 0.00 -4.31 0.00 0.00 34.13 25.54 1jkn s GLU 49 CO 0.25 -2.28 0.43 0.41 0.01 0.00 0.00 175.26 174.08 1jkn n GLY 50 N 5.51 0.09 3.60 -1.39 0.00 -1.26 -5.05 105.19 106.69 1jkn n GLY 50 Ca 0.08 -0.21 -0.26 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 -4.51 2.16 0.03 1.61 2.56 -1.23 -5.11 118.70 114.22 1jkn s GLU 51 Ca 0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 54.97 53.43 1jkn s GLU 51 Cb -0.00 -2.20 -0.04 0.00 2.00 0.00 0.00 34.13 33.89 1jkn s GLU 51 CO 0.31 0.43 1.06 -0.51 -0.56 0.00 0.00 175.26 175.99 1jkn s ASP 52 N -2.97 7.27 0.64 -1.70 1.01 -1.26 -4.83 116.67 114.83 1jkn s ASP 52 Ca 0.26 1.80 0.32 0.00 0.71 0.00 0.00 52.55 55.64 1jkn s ASP 52 Cb -0.09 -2.57 1.72 0.00 1.01 0.00 0.00 42.92 42.99 1jkn s ASP 52 CO 0.17 -0.32 2.01 -0.65 0.21 0.00 0.00 175.17 176.58 1jkn h PRO 53 N 6.71 0.00 0.00 8.23 0.11 -1.97 0.19 132.00 145.27 1jkn h PRO 53 Ca -0.41 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1jkn h PRO 53 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1jkn h PRO 53 CO 0.77 0.00 -0.91 -0.09 -0.21 0.00 0.00 178.00 177.56 1jkn h ARG 54 N 0.00 0.00 0.10 1.05 9.65 -1.91 -3.05 114.38 120.22 1jkn h ARG 54 Ca 0.04 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.62 1jkn h ARG 54 Cb 0.62 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1jkn h ARG 54 CO -0.00 0.42 -1.61 -0.91 2.80 0.00 0.00 179.97 180.68 1jkn h ASN 55 N 0.00 0.34 0.17 -3.80 4.21 -1.09 -2.99 115.58 112.42 1jkn h ASN 55 Ca -0.07 -0.84 -0.03 0.00 1.21 0.00 0.00 56.30 56.57 1jkn h ASN 55 Cb 1.48 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1jkn h ASN 55 CO 0.06 1.69 -0.17 0.00 -1.29 0.00 0.00 177.43 177.72 1jkn h ALA 56 N -0.07 1.71 0.05 -0.83 0.00 -1.22 -0.56 119.26 118.34 1jkn h ALA 56 Ca -0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jkn h ALA 56 Cb 1.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1jkn h ALA 56 CO 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 1jkn h ALA 57 N 1.83 -0.07 -0.24 0.00 0.00 -1.66 0.41 119.26 119.54 1jkn h ALA 57 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1jkn h ALA 57 Cb 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jkn h ALA 57 CO 0.02 -0.17 0.19 0.82 0.00 0.00 0.00 179.25 180.11 1jkn h ILE 58 N -0.81 0.78 0.00 0.00 2.04 -1.35 0.36 117.51 118.54 1jkn h ILE 58 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1jkn h ILE 58 Cb 0.65 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1jkn h ILE 58 CO 0.01 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.88 1jkn h ARG 59 N 0.00 0.00 -0.64 2.37 2.43 -1.09 -3.34 114.38 114.12 1jkn h ARG 59 Ca 0.12 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.44 1jkn h ARG 59 Cb 0.49 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1jkn h ARG 59 CO -0.00 0.67 0.44 0.93 -1.51 0.00 0.00 179.97 180.50 1jkn h GLU 60 N -1.00 0.18 0.57 0.20 4.39 0.42 -2.62 114.58 116.72 1jkn h GLU 60 Ca -0.04 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jkn h GLU 60 Cb 0.74 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1jkn h GLU 60 CO -0.03 0.12 -0.33 1.25 -1.16 0.00 0.00 179.01 178.86 1jkn h LEU 61 N 0.18 -0.82 -0.63 1.33 5.85 -0.43 0.93 115.31 121.73 1jkn h LEU 61 Ca 0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1jkn h LEU 61 Cb 0.95 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jkn h LEU 61 CO -0.05 -0.52 0.00 -2.11 -0.34 0.00 0.00 178.44 175.42 1jkn n ARG 62 N -4.43 0.06 -0.03 1.25 1.85 -1.08 0.53 116.66 114.82 1jkn n ARG 62 Ca -0.10 0.55 -0.21 0.00 -1.00 0.00 0.00 57.85 57.09 1jkn n ARG 62 Cb 0.34 -1.70 -0.13 0.00 -1.05 0.00 0.00 32.46 29.91 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 -1.84 0.73 -0.02 2.89 1.02 -0.61 -0.13 120.64 122.67 1jkn n GLU 63 Ca -0.00 0.27 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1jkn n GLU 63 Cb 0.02 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.53 0.66 -0.01 3.49 -0.58 0.31 -4.06 120.64 116.93 1jkn n GLU 64 Ca -0.35 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1jkn n GLU 64 Cb 1.01 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1jkn n THR 65 N -3.13 0.11 -0.83 2.62 -2.24 0.19 -4.73 114.28 106.26 1jkn n THR 65 Ca -0.20 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jkn n THR 65 Cb 1.05 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.55 1.05 3.67 3.38 0.00 -0.39 -2.15 105.19 113.30 1jkn n GLY 66 Ca -0.03 0.00 -0.42 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 -3.71 3.47 -0.22 1.61 1.01 -1.25 -4.46 120.40 116.84 1jkn s VAL 67 Ca 0.00 0.69 0.12 0.00 0.00 0.00 0.00 61.98 62.79 1jkn s VAL 67 Cb 0.00 -3.45 -0.22 0.00 0.00 0.00 0.00 36.38 32.71 1jkn s VAL 67 CO 0.00 -0.04 -0.03 0.35 0.00 0.00 0.00 175.10 175.38 1jkn n THR 68 N 5.22 1.43 -2.81 3.92 -2.24 -1.26 -3.69 114.28 114.85 1jkn n THR 68 Ca 0.16 -0.75 -0.44 0.00 -2.27 0.00 0.00 64.05 60.76 1jkn n THR 68 Cb 0.42 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.95 5.22 -3.70 3.42 7.64 -1.26 -4.91 113.62 117.08 1jkn n SER 69 Ca -0.38 -3.02 -0.11 0.00 1.01 0.00 0.00 58.87 56.37 1jkn n SER 69 Cb 1.09 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.13 -0.84 0.08 -0.43 0.00 -1.26 0.94 121.76 121.38 1jkn s ALA 70 Ca 0.42 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.77 1jkn s ALA 70 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1jkn s ALA 70 CO 0.00 -0.28 -0.26 -1.21 0.00 0.00 0.00 175.76 174.02 1jkn s GLU 71 N 1.44 1.62 -0.06 0.00 2.02 -0.85 -4.89 118.70 117.99 1jkn s GLU 71 Ca -0.09 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1jkn s GLU 71 Cb -0.09 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1jkn s GLU 71 CO -0.11 0.48 1.15 0.08 0.02 0.00 0.00 175.26 176.88 1jkn s VAL 72 N -0.90 4.37 -0.17 2.63 1.01 -1.26 0.12 120.40 126.21 1jkn s VAL 72 Ca 0.12 1.68 0.14 0.00 0.00 0.00 0.00 61.98 63.92 1jkn s VAL 72 Cb -0.10 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 1jkn s VAL 72 CO 0.03 0.01 0.37 -0.38 0.00 0.00 0.00 175.10 175.13 1jkn n ILE 73 N 4.54 0.00 -3.63 2.22 2.08 -1.05 -4.88 119.36 118.63 1jkn n ILE 73 Ca 0.10 -0.28 -0.11 0.00 0.56 0.00 0.00 62.75 63.02 1jkn n ILE 73 Cb 0.47 0.39 -0.05 0.00 -0.75 0.00 0.00 39.64 39.70 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jkn s ALA 74 N -2.78 -0.95 -0.21 -1.39 0.00 -1.25 -4.97 121.76 110.21 1jkn s ALA 74 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1jkn s ALA 74 Cb 0.09 0.67 0.11 0.00 0.00 0.00 0.00 23.12 23.99 1jkn s ALA 74 CO 0.57 -0.63 0.30 -1.83 0.00 0.00 0.00 175.76 174.16 1jkn s GLU 75 N -3.72 0.26 0.09 0.00 4.04 -1.26 0.41 118.70 118.51 1jkn s GLU 75 Ca 0.02 0.44 -0.33 0.00 0.04 0.00 0.00 54.97 55.15 1jkn s GLU 75 Cb 0.02 -0.70 -0.12 0.00 0.02 0.00 0.00 34.13 33.34 1jkn s GLU 75 CO -0.11 -0.59 1.78 0.28 -1.84 0.00 0.00 175.26 174.78 1jkn n VAL 76 N 5.34 0.32 0.83 1.83 0.31 -0.68 -4.86 118.33 121.43 1jkn n VAL 76 Ca -0.05 -0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1jkn n VAL 76 Cb 0.50 -1.92 0.48 0.00 -0.91 0.00 0.00 33.84 31.98 1jkn n VAL 76 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jkn n PRO 77 N 5.30 0.13 -4.37 5.55 -0.04 -1.26 -4.74 135.00 135.57 1jkn n PRO 77 Ca 0.19 0.12 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1jkn n PRO 77 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 1jkn n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jkn s TYR 78 N -2.82 1.40 0.34 0.54 -0.85 -1.26 -4.68 117.35 110.03 1jkn s TYR 78 Ca 0.14 -0.38 -0.25 0.00 -0.52 0.00 0.00 57.07 56.06 1jkn s TYR 78 Cb 0.14 -0.82 -0.10 0.00 0.38 0.00 0.00 41.96 41.56 1jkn s TYR 78 CO 0.35 0.07 0.95 -1.58 -1.52 0.00 0.00 175.55 173.82 1jkn s TRP 79 N -0.94 3.61 -0.25 -3.49 0.52 -1.26 -4.66 118.94 112.47 1jkn s TRP 79 Ca 0.03 1.75 -0.04 0.00 0.02 0.00 0.00 56.10 57.85 1jkn s TRP 79 Cb -0.09 -2.93 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1jkn s TRP 79 CO 0.02 0.11 -0.00 -0.51 0.02 0.00 0.00 176.95 176.59 1jkn s LEU 80 N -2.24 3.27 -0.14 2.99 1.43 0.20 -0.03 118.68 124.15 1jkn s LEU 80 Ca 0.52 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1jkn s LEU 80 Cb -0.18 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1jkn s LEU 80 CO 0.23 -0.09 -0.09 0.42 0.23 0.00 0.00 176.35 177.05 1jkn s THR 81 N 1.46 3.44 0.21 5.49 -4.23 -1.26 -2.07 115.64 118.69 1jkn s THR 81 Ca 0.04 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1jkn s THR 81 Cb -0.16 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1jkn s THR 81 CO -0.01 0.51 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.81 1jkn s TYR 82 N 0.34 1.52 0.19 3.99 1.13 -1.25 -4.98 117.35 118.29 1jkn s TYR 82 Ca -0.08 -0.84 0.08 0.00 -1.41 0.00 0.00 57.07 54.83 1jkn s TYR 82 Cb -0.15 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 1jkn s TYR 82 CO 0.04 0.04 -0.16 -0.51 -2.51 0.00 0.00 175.55 172.46 1jkn s ASP 83 N -3.28 2.66 0.17 -0.18 1.01 -1.26 -3.31 116.67 112.49 1jkn s ASP 83 Ca 0.25 -0.96 0.04 0.00 0.71 0.00 0.00 52.55 52.58 1jkn s ASP 83 Cb 0.04 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 1jkn s ASP 83 CO 0.06 -0.11 0.25 -0.36 0.21 0.00 0.00 175.17 175.22 1jkn s PHE 84 N -2.61 3.36 1.06 4.23 0.08 -1.25 -4.88 117.98 117.97 1jkn s PHE 84 Ca 0.20 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.18 1jkn s PHE 84 Cb -0.03 -1.59 0.23 0.00 -0.57 0.00 0.00 43.02 41.05 1jkn s PHE 84 CO 0.07 0.51 1.07 -1.25 -0.10 0.00 0.00 175.22 175.52 1jkn s PRO 85 N -3.34 -0.11 0.40 0.24 0.04 -1.26 -4.37 135.00 126.61 1jkn s PRO 85 Ca 0.33 0.93 0.27 0.00 0.04 0.00 0.00 61.00 62.58 1jkn s PRO 85 Cb -0.10 -1.64 1.46 0.00 0.04 0.00 0.00 34.50 34.26 1jkn s PRO 85 CO 0.27 -3.20 1.84 -1.00 0.04 0.00 0.00 177.00 174.94 1jkn h PRO 86 N -2.25 0.00 0.02 0.56 0.13 -1.99 0.48 132.00 128.95 1jkn h PRO 86 Ca -0.56 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.25 1jkn h PRO 86 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1jkn h PRO 86 CO 0.50 0.00 -1.91 1.17 -0.23 0.00 0.00 178.00 177.53 1jkn n LYS 87 N -2.46 0.66 -0.08 0.86 4.81 -1.26 -3.10 118.16 117.59 1jkn n LYS 87 Ca -0.02 0.23 -0.18 0.00 -0.87 0.00 0.00 58.31 57.47 1jkn n LYS 87 Cb 0.06 -1.72 -0.12 0.00 0.02 0.00 0.00 35.03 33.27 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 0.01 1.33 -0.45 3.15 2.07 -1.60 -2.63 116.25 118.13 1jkn h VAL 88 Ca -0.37 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 64.88 1jkn h VAL 88 Cb 2.06 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 34.61 1jkn h VAL 88 CO 0.06 0.48 0.29 -0.09 0.02 0.00 0.00 177.57 178.33 1jkn h ARG 89 N -0.93 0.56 0.00 1.57 1.12 -0.28 0.76 114.38 117.19 1jkn h ARG 89 Ca -0.19 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.60 1jkn h ARG 89 Cb 1.21 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 1jkn h ARG 89 CO -0.09 0.37 -0.23 1.49 -3.11 0.00 0.00 179.97 178.40 1jkn h GLU 90 N 0.58 0.00 0.06 0.20 4.57 -1.70 -1.65 114.58 116.65 1jkn h GLU 90 Ca 0.17 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 1jkn h GLU 90 Cb -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1jkn h GLU 90 CO -0.05 0.23 -0.45 -0.22 -1.18 0.00 0.00 179.01 177.34 1jkn h LYS 91 N 0.00 0.19 -0.44 1.92 3.11 -0.80 -3.34 116.57 117.21 1jkn h LYS 91 Ca -0.00 -0.29 0.04 0.00 -2.81 0.00 0.00 60.65 57.59 1jkn h LYS 91 Cb 0.43 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.72 1jkn h LYS 91 CO 0.03 1.10 0.21 -0.07 -2.81 0.00 0.00 179.45 177.91 1jkn h LEU 92 N -0.57 0.29 -1.48 5.20 3.38 0.66 0.82 115.31 123.60 1jkn h LEU 92 Ca -0.07 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.30 1jkn h LEU 92 Cb 1.31 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1jkn h LEU 92 CO 0.09 0.21 0.82 0.78 0.09 0.00 0.00 178.44 180.42 1jkn h ASN 93 N 0.42 0.28 0.02 -0.43 2.35 -1.42 1.74 115.58 118.53 1jkn h ASN 93 Ca 0.20 0.10 -0.39 0.00 -0.55 0.00 0.00 56.30 55.66 1jkn h ASN 93 Cb 0.12 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1jkn h ASN 93 CO -0.15 -0.07 -2.18 -0.38 -1.65 0.00 0.00 177.43 173.00 1jkn n ILE 94 N -4.59 1.55 0.15 2.81 5.41 -0.51 -2.80 119.36 121.39 1jkn n ILE 94 Ca 0.32 -0.38 -0.12 0.00 1.00 0.00 0.00 62.75 63.58 1jkn n ILE 94 Cb 1.26 -1.80 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.65 -0.41 0.03 0.38 4.20 0.15 -3.31 115.11 115.51 1jkn h GLN 95 Ca -0.56 0.03 -0.22 0.00 0.06 0.00 0.00 58.65 57.95 1jkn h GLN 95 Cb 1.66 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.51 1jkn h GLN 95 CO -0.24 -0.07 -1.03 -1.49 -0.67 0.00 0.00 178.83 175.32 1jkn h TRP 96 N -0.88 0.13 -1.94 2.96 4.06 0.22 -3.48 115.95 117.01 1jkn h TRP 96 Ca -0.04 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.72 1jkn h TRP 96 Cb 0.52 -0.01 0.03 0.00 -1.00 0.00 0.00 29.16 28.70 1jkn h TRP 96 CO 0.04 1.05 -0.16 0.41 -3.56 0.00 0.00 178.44 176.22 1jkn n GLY 97 N 1.32 0.53 3.25 1.49 0.00 0.15 -4.98 105.19 106.96 1jkn n GLY 97 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -3.03 2.44 -0.55 1.61 0.01 -1.24 -4.99 113.70 107.94 1jkn s SER 98 Ca 0.12 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1jkn s SER 98 Cb -0.05 -0.18 0.42 0.00 0.21 0.00 0.00 66.02 66.42 1jkn s SER 98 CO 0.15 0.12 1.58 -0.67 0.41 0.00 0.00 173.24 174.83 1jkn n ASP 99 N 1.60 6.19 -4.68 2.44 -0.08 -1.26 -3.96 116.55 116.80 1jkn n ASP 99 Ca -0.18 -3.77 -0.33 0.00 -1.51 0.00 0.00 54.79 49.00 1jkn n ASP 99 Cb 0.53 -0.70 -0.09 0.00 2.34 0.00 0.00 41.12 43.20 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 -3.76 3.07 0.21 -0.67 0.52 -1.26 -5.01 118.94 112.04 1jkn s TRP 100 Ca 0.54 0.08 0.13 0.00 0.02 0.00 0.00 56.10 56.86 1jkn s TRP 100 Cb 0.44 -1.67 0.38 0.00 -1.15 0.00 0.00 33.47 31.46 1jkn s TRP 100 CO -0.14 0.46 1.61 0.87 0.02 0.00 0.00 176.95 179.76 1jkn h LYS 101 N 4.39 0.00 0.00 4.98 6.56 -1.57 -3.49 116.57 127.44 1jkn h LYS 101 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1jkn h LYS 101 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1jkn h LYS 101 CO 0.57 0.58 0.00 0.41 -2.06 0.00 0.00 179.45 178.95 1jkn n GLY 102 N 0.39 2.09 3.40 3.86 0.00 -1.25 -3.95 105.19 109.74 1jkn n GLY 102 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 4.92 0.50 -0.44 1.61 -0.21 -1.21 -2.86 119.66 121.97 1jkn s GLN 103 Ca 0.00 1.20 -0.24 0.00 0.02 0.00 0.00 55.36 56.34 1jkn s GLN 103 Cb 0.00 0.59 0.02 0.00 1.00 0.00 0.00 33.01 34.62 1jkn s GLN 103 CO 0.00 -0.33 0.85 0.00 -2.12 0.00 0.00 175.29 173.69 1jkn s ALA 104 N 2.80 3.28 0.07 6.09 0.00 -0.56 -3.92 121.76 129.53 1jkn s ALA 104 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1jkn s ALA 104 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1jkn s ALA 104 CO -0.18 -1.94 -0.14 1.14 0.00 0.00 0.00 175.76 174.65 1jkn s GLN 105 N 3.49 0.81 -0.44 0.00 -2.07 -0.88 -2.63 119.66 117.95 1jkn s GLN 105 Ca 0.34 -0.96 -0.08 0.00 -1.82 0.00 0.00 55.36 52.83 1jkn s GLN 105 Cb -0.11 -0.81 0.10 0.00 -1.09 0.00 0.00 33.01 31.10 1jkn s GLN 105 CO 0.24 0.18 0.28 0.15 -1.32 0.00 0.00 175.29 174.82 1jkn s LYS 106 N -1.77 2.49 0.40 9.60 1.02 -1.18 0.58 119.74 130.88 1jkn s LYS 106 Ca -0.02 -1.61 -0.26 0.00 0.02 0.00 0.00 55.97 54.10 1jkn s LYS 106 Cb -0.10 -3.81 -0.08 0.00 -0.52 0.00 0.00 37.83 33.32 1jkn s LYS 106 CO 0.02 -1.06 1.24 -1.58 -0.92 0.00 0.00 175.35 173.06 1jkn s TRP 107 N 1.37 2.93 -0.03 3.18 0.52 -1.26 -3.64 118.94 122.01 1jkn s TRP 107 Ca 0.04 1.48 0.05 0.00 0.02 0.00 0.00 56.10 57.70 1jkn s TRP 107 Cb -0.24 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.52 1jkn s TRP 107 CO 0.00 -1.73 -0.18 -0.06 0.02 0.00 0.00 176.95 174.99 1jkn s PHE 108 N -1.32 1.73 0.52 -1.98 0.40 0.13 -1.69 117.98 115.77 1jkn s PHE 108 Ca 0.57 -0.41 -0.16 0.00 -0.60 0.00 0.00 56.93 56.32 1jkn s PHE 108 Cb -0.35 -1.14 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 1jkn s PHE 108 CO 0.44 -0.10 0.99 -1.17 0.70 0.00 0.00 175.22 176.09 1jkn s LEU 109 N -0.22 3.61 -0.13 -0.37 2.96 0.17 0.12 118.68 124.82 1jkn s LEU 109 Ca 0.02 1.60 -0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1jkn s LEU 109 Cb -0.09 -4.51 0.05 0.00 0.50 0.00 0.00 46.19 42.14 1jkn s LEU 109 CO 0.01 -0.65 0.29 -0.36 -1.32 0.00 0.00 176.35 174.32 1jkn s PHE 110 N -2.61 -0.43 -0.24 5.38 0.40 0.54 -2.54 117.98 118.48 1jkn s PHE 110 Ca 0.59 0.97 -0.18 0.00 -0.60 0.00 0.00 56.93 57.72 1jkn s PHE 110 Cb -0.11 0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.49 1jkn s PHE 110 CO 0.32 -0.29 0.50 0.21 0.70 0.00 0.00 175.22 176.65 1jkn s LYS 111 N 1.59 4.11 0.03 0.44 2.47 0.33 -0.09 119.74 128.62 1jkn s LYS 111 Ca -0.07 0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 1jkn s LYS 111 Cb -0.10 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.58 1jkn s LYS 111 CO -0.10 -0.26 1.66 0.12 0.16 0.00 0.00 175.35 176.93 1jkn s PHE 112 N 2.02 2.26 -0.25 4.03 5.36 -0.66 -2.01 117.98 128.72 1jkn s PHE 112 Ca 0.22 0.26 0.12 0.00 -0.96 0.00 0.00 56.93 56.56 1jkn s PHE 112 Cb -0.15 -3.95 0.46 0.00 -0.34 0.00 0.00 43.02 39.03 1jkn s PHE 112 CO 0.09 -3.90 1.18 0.25 -1.46 0.00 0.00 175.22 171.38 1jkn n THR 113 N 4.97 2.11 -0.98 0.12 -2.24 0.27 -4.76 114.28 113.77 1jkn n THR 113 Ca 0.16 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.30 1jkn n THR 113 Cb 0.41 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.70 5.55 3.24 3.38 0.00 -1.20 -4.77 105.19 110.69 1jkn n GLY 114 Ca 0.31 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 3.54 1.02 0.49 1.61 1.11 -1.26 -5.00 119.66 121.16 1jkn s GLN 115 Ca 0.00 -1.22 0.15 0.00 0.01 0.00 0.00 55.36 54.30 1jkn s GLN 115 Cb 0.00 -0.92 0.82 0.00 -1.01 0.00 0.00 33.01 31.90 1jkn s GLN 115 CO 0.00 0.18 1.39 -0.44 0.01 0.00 0.00 175.29 176.43 1jkn h ASP 116 N 3.57 0.00 1.31 5.90 5.19 -2.02 0.83 116.42 131.20 1jkn h ASP 116 Ca -0.40 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 1jkn h ASP 116 Cb 1.20 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1jkn h ASP 116 CO 0.50 0.00 -0.16 -0.61 -3.12 0.00 0.00 179.24 175.85 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.15 -2.04 -2.98 115.11 117.80 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1jkn h GLN 117 Cb 0.95 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1jkn h GLN 117 CO 0.00 0.16 -0.50 1.49 -1.93 0.00 0.00 178.83 178.05 1jkn h GLU 118 N 0.00 0.00 -5.85 1.69 4.57 0.32 -3.41 114.58 111.89 1jkn h GLU 118 Ca -0.00 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 57.78 1jkn h GLU 118 Cb 0.86 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1jkn h GLU 118 CO 0.02 0.50 1.04 0.42 -1.18 0.00 0.00 179.01 179.82 1jkn s ILE 119 N -3.26 3.41 -0.44 2.32 1.01 -1.13 -3.97 121.20 119.15 1jkn s ILE 119 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1jkn s ILE 119 Cb 0.10 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.69 1jkn s ILE 119 CO 0.73 -0.95 0.18 0.54 0.00 0.00 0.00 174.94 175.44 1jkn s ASN 120 N 8.00 4.78 0.67 3.58 4.22 -0.91 -4.95 114.94 130.31 1jkn s ASN 120 Ca 0.68 -2.47 0.28 0.00 -2.14 0.00 0.00 52.86 49.21 1jkn s ASN 120 Cb -0.09 -1.69 1.53 0.00 1.28 0.00 0.00 41.25 42.28 1jkn s ASN 120 CO 0.10 -0.36 1.86 -0.07 -2.04 0.00 0.00 177.10 176.59 1jkn h LEU 121 N 7.29 0.00 0.72 3.54 3.38 -1.84 -2.04 115.31 126.37 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 121 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.62 0.00 -0.46 -0.07 0.09 0.00 0.00 178.44 178.63 1jkn h LEU 122 N 0.00 -1.16 0.00 1.67 3.38 -1.83 -3.34 115.31 114.03 1jkn h LEU 122 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 122 Cb 0.75 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jkn h LEU 122 CO -0.00 -0.70 0.00 0.61 0.09 0.00 0.00 178.44 178.44 1jkn n GLY 123 N -1.59 0.97 1.86 0.83 0.00 -0.77 -3.60 105.19 102.89 1jkn n GLY 123 Ca -0.14 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 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 2.32 6.10 -1.52 1.61 5.75 0.81 -4.73 116.55 126.89 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 -1.01 -0.03 0.00 -1.03 0.00 0.00 41.12 39.05 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 0.27 0.42 0.21 6.12 0.00 -1.26 -4.90 105.19 106.04 1jkn n GLY 125 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1jkn n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 126 N -0.73 0.97 -4.72 1.61 2.88 -1.26 -5.06 113.62 107.31 1jkn n SER 126 Ca -0.17 0.16 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 1jkn n SER 126 Cb 0.59 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jkn s GLU 127 N -1.95 2.33 0.58 -1.46 2.02 -1.26 -5.12 118.70 113.84 1jkn s GLU 127 Ca -0.13 -1.58 -0.18 0.00 0.02 0.00 0.00 54.97 53.09 1jkn s GLU 127 Cb 0.02 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1jkn s GLU 127 CO 0.19 0.11 1.13 0.15 0.02 0.00 0.00 175.26 176.86 1jkn s LYS 128 N -3.83 3.18 0.20 1.61 1.02 -1.26 -4.67 119.74 115.99 1jkn s LYS 128 Ca 0.37 1.58 -0.32 0.00 0.02 0.00 0.00 55.97 57.63 1jkn s LYS 128 Cb -0.02 -1.98 -0.15 0.00 -0.52 0.00 0.00 37.83 35.15 1jkn s LYS 128 CO 0.22 -0.98 1.12 -2.30 -0.92 0.00 0.00 175.35 172.50 1jkn n PRO 129 N -1.59 1.22 -0.02 -1.68 -0.02 -1.24 -4.91 135.00 126.76 1jkn n PRO 129 Ca 0.12 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1jkn n PRO 129 Cb 0.51 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.52 1.78 -4.40 -0.52 4.71 -1.25 -4.99 120.64 117.49 1jkn n GLU 130 Ca 0.14 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.16 57.04 1jkn n GLU 130 Cb 0.27 -1.18 -0.10 0.00 -1.01 0.00 0.00 31.44 29.42 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 -2.31 2.01 -0.02 -0.32 0.08 -1.26 -2.32 117.98 113.84 1jkn s PHE 131 Ca -0.03 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.59 1jkn s PHE 131 Cb 0.03 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1jkn s PHE 131 CO 0.29 0.52 0.04 0.41 -0.10 0.00 0.00 175.22 176.39 1jkn n GLY 132 N -0.39 0.15 3.61 4.36 0.00 -1.16 -4.69 105.19 107.07 1jkn n GLY 132 Ca -0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.88 1.75 0.16 1.61 8.01 -1.26 -5.01 118.70 122.08 1jkn s GLU 133 Ca -0.00 -1.39 -0.23 0.00 0.01 0.00 0.00 54.97 53.35 1jkn s GLU 133 Cb 0.01 0.49 0.07 0.00 -4.31 0.00 0.00 34.13 30.39 1jkn s GLU 133 CO 0.06 -0.75 0.62 1.67 0.01 0.00 0.00 175.26 176.88 1jkn s TRP 134 N -3.53 -0.51 0.05 1.61 1.48 -1.26 0.46 118.94 117.23 1jkn s TRP 134 Ca 0.23 0.29 -0.26 0.00 -1.06 0.00 0.00 56.10 55.30 1jkn s TRP 134 Cb -0.01 0.57 0.07 0.00 -1.16 0.00 0.00 33.47 32.93 1jkn s TRP 134 CO 0.12 -0.85 0.62 -1.12 -4.06 0.00 0.00 176.95 171.66 1jkn s SER 135 N -2.75 -0.58 -0.13 -2.66 0.01 0.20 -4.95 113.70 102.84 1jkn s SER 135 Ca 0.02 0.34 -0.21 0.00 1.31 0.00 0.00 55.95 57.41 1jkn s SER 135 Cb -0.01 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 1jkn s SER 135 CO -0.12 -0.77 0.63 0.26 0.41 0.00 0.00 173.24 173.66 1jkn s TRP 136 N -2.39 3.48 0.03 2.43 0.52 -1.26 -1.81 118.94 119.93 1jkn s TRP 136 Ca -0.05 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.12 1jkn s TRP 136 Cb -0.01 -2.76 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1jkn s TRP 136 CO -0.01 -0.01 -0.05 0.14 0.02 0.00 0.00 176.95 177.04 1jkn s VAL 137 N 1.25 0.28 0.81 4.03 -7.23 -1.15 -4.87 120.40 113.52 1jkn s VAL 137 Ca 0.32 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 1jkn s VAL 137 Cb -0.16 -0.45 0.08 0.00 0.56 0.00 0.00 36.38 36.41 1jkn s VAL 137 CO 0.13 -0.48 1.10 0.42 -0.31 0.00 0.00 175.10 175.96 1jkn s THR 138 N -1.55 3.05 0.21 5.32 -4.23 -1.26 0.12 115.64 117.30 1jkn s THR 138 Ca -0.13 0.34 0.30 0.00 -1.18 0.00 0.00 61.69 61.02 1jkn s THR 138 Cb -0.09 -2.76 0.30 0.00 1.34 0.00 0.00 72.50 71.28 1jkn s THR 138 CO -0.01 -0.45 1.91 1.55 -0.54 0.00 0.00 174.62 177.08 1jkn h PRO 139 N -1.31 0.00 0.04 3.99 0.13 -1.95 0.13 132.00 133.03 1jkn h PRO 139 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 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 0.51 0.00 -1.94 0.39 -0.23 0.00 0.00 178.00 176.72 1jkn n GLU 140 N -2.59 0.68 -0.00 0.86 -0.58 -1.26 -3.56 120.64 114.19 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1jkn n GLU 140 Cb 0.10 -1.71 -0.10 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.02 -0.06 -0.67 3.49 1.08 -1.30 -2.82 115.11 114.86 1jkn h GLN 141 Ca -0.38 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.04 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.45 1jkn h GLN 141 CO 0.06 0.49 0.47 1.25 -0.95 0.00 0.00 178.83 180.15 1jkn h LEU 142 N -0.66 0.16 -1.36 1.46 5.85 -1.05 1.02 115.31 120.74 1jkn h LEU 142 Ca -0.01 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1jkn h LEU 142 Cb 0.58 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1jkn h LEU 142 CO 0.01 0.08 -0.31 0.40 -0.34 0.00 0.00 178.44 178.27 1jkn h ILE 143 N 0.17 1.10 0.00 4.05 1.08 -1.58 0.17 117.51 122.49 1jkn h ILE 143 Ca 0.32 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1jkn h ILE 143 Cb 1.04 1.63 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1jkn h ILE 143 CO -0.05 0.31 -0.14 -0.78 -0.69 0.00 0.00 178.15 176.80 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 3.58 0.13 -3.26 116.42 118.83 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 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1jkn h ASP 144 CO 0.04 0.07 -1.74 -0.07 -2.88 0.00 0.00 179.24 174.66 1jkn h LEU 145 N 0.00 0.55 -9.99 2.28 3.38 -0.28 -3.47 115.31 107.77 1jkn h LEU 145 Ca -0.00 -0.85 -0.49 0.00 0.09 0.00 0.00 57.88 56.63 1jkn h LEU 145 Cb 1.05 -0.18 0.21 0.00 0.09 0.00 0.00 40.66 41.84 1jkn h LEU 145 CO 0.01 1.72 -0.29 0.41 0.09 0.00 0.00 178.44 180.38 1jkn n THR 146 N -3.55 0.00 -3.21 0.22 -1.04 0.50 -4.45 114.28 102.75 1jkn n THR 146 Ca -0.24 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.31 1jkn n THR 146 Cb 1.07 -0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.44 4.98 0.29 12.58 0.11 -1.26 -4.81 120.40 129.84 1jkn s VAL 147 Ca 0.63 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 59.37 1jkn s VAL 147 Cb -0.21 -3.83 0.28 0.00 -1.53 0.00 0.00 36.38 31.09 1jkn s VAL 147 CO 0.64 -0.59 1.73 -0.33 -3.33 0.00 0.00 175.10 173.21 1jkn h GLU 148 N 0.63 0.52 -0.18 1.54 5.08 -1.95 0.63 114.58 120.86 1jkn h GLU 148 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jkn h GLU 148 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1jkn h GLU 148 CO 0.61 0.35 0.00 1.97 -1.00 0.00 0.00 179.01 180.94 1jkn n PHE 149 N -4.93 0.23 -0.06 4.33 1.16 -1.26 -3.50 117.46 113.43 1jkn n PHE 149 Ca 0.22 -0.12 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 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 0.03 3.24 0.42 3.97 5.02 0.15 -4.62 118.16 126.38 1jkn n LYS 150 Ca 0.09 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 1jkn n LYS 150 Cb 0.18 -0.34 -0.10 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 -1.15 -0.71 1.97 1.57 -0.04 -0.88 116.57 117.32 1jkn h LYS 151 Ca 0.00 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1jkn h LYS 151 Cb 0.03 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1jkn h LYS 151 CO 0.00 -0.77 0.42 -1.00 -0.57 0.00 0.00 179.45 177.53 1jkn h PRO 152 N -1.20 0.97 0.00 3.15 0.13 -1.86 0.57 132.00 133.76 1jkn h PRO 152 Ca -0.10 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1jkn h PRO 152 Cb 0.97 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1jkn h PRO 152 CO 0.09 0.70 -0.00 0.28 -0.23 0.00 0.00 178.00 178.84 1jkn h VAL 153 N 0.97 0.73 0.00 1.56 2.07 -1.84 -0.40 116.25 119.34 1jkn h VAL 153 Ca 0.25 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 67.54 1jkn h VAL 153 Cb -0.01 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1jkn h VAL 153 CO -0.05 0.00 -1.26 -1.22 0.02 0.00 0.00 177.57 175.06 1jkn n TYR 154 N -4.14 0.92 -0.23 1.57 4.02 -0.34 -3.73 117.16 115.22 1jkn n TYR 154 Ca -0.03 0.40 0.26 0.00 -0.01 0.00 0.00 57.90 58.52 1jkn n TYR 154 Cb 0.09 -1.05 0.64 0.00 -0.02 0.00 0.00 39.34 39.00 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 0.16 -0.25 -0.72 3.64 0.30 0.40 116.57 119.11 1jkn h LYS 155 Ca -0.33 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1jkn h LYS 155 Cb 1.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1jkn h LYS 155 CO -0.20 0.11 -0.02 1.49 -2.27 0.00 0.00 179.45 178.55 1jkn h GLU 156 N 0.17 0.46 -0.30 1.90 4.57 -1.23 0.45 114.58 120.60 1jkn h GLU 156 Ca 0.48 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1jkn h GLU 156 Cb 1.60 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 1jkn h GLU 156 CO -0.09 0.65 0.16 0.28 -1.18 0.00 0.00 179.01 178.82 1jkn h VAL 157 N 0.22 1.00 -0.11 0.32 2.07 -0.35 0.23 116.25 119.64 1jkn h VAL 157 Ca 0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jkn h VAL 157 Cb 0.46 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1jkn h VAL 157 CO 0.02 0.06 0.04 -0.07 0.02 0.00 0.00 177.57 177.63 1jkn h LEU 158 N 0.33 0.15 -0.63 2.57 3.38 -1.03 -0.96 115.31 119.13 1jkn h LEU 158 Ca 0.12 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1jkn h LEU 158 Cb 0.03 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1jkn h LEU 158 CO -0.07 0.30 0.07 -1.28 0.09 0.00 0.00 178.44 177.55 1jkn h SER 159 N -0.00 -0.14 0.68 -0.43 0.87 0.31 1.86 113.55 116.70 1jkn h SER 159 Ca 0.04 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1jkn h SER 159 Cb 0.20 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1jkn h SER 159 CO -0.00 -0.07 -0.27 0.58 -0.53 0.00 0.00 176.83 176.54 1jkn h VAL 160 N 0.18 0.77 -0.64 2.23 2.07 -0.78 -2.64 116.25 117.44 1jkn h VAL 160 Ca 0.34 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.72 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 -0.49 0.27 0.00 0.49 0.02 0.00 0.00 177.57 177.86 1jkn n PHE 161 N -3.59 0.86 0.20 1.57 3.72 0.15 -4.61 117.46 115.74 1jkn n PHE 161 Ca -0.01 -0.48 -0.16 0.00 -0.05 0.00 0.00 57.45 56.75 1jkn n PHE 161 Cb 0.41 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 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 3.89 -0.86 -0.03 4.37 0.00 0.30 -0.61 119.26 126.32 1jkn h ALA 162 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jkn h ALA 162 Cb 0.94 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jkn h ALA 162 CO 0.00 -1.04 0.09 -1.00 0.00 0.00 0.00 179.25 177.31 1jkn h PRO 163 N -0.78 0.00 0.00 0.00 0.13 -1.81 0.15 132.00 129.69 1jkn h PRO 163 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1jkn h PRO 163 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1jkn h PRO 163 CO -0.14 0.00 -0.56 0.72 -0.23 0.00 0.00 178.00 177.79 1jkn n HIS 164 N -3.30 0.11 0.42 1.56 8.25 -0.60 -5.21 115.22 116.46 1jkn n HIS 164 Ca -0.02 0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1jkn n HIS 164 Cb 0.17 -0.33 0.04 0.00 1.12 0.00 0.00 29.99 30.99 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26