#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 -1.69 -3.68 1.61 -0.04 -1.26 -5.00 135.00 124.94 1jkn n PRO 2 Ca 0.00 -0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.55 1jkn n PRO 2 Cb 0.00 -0.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.86 1jkn n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jkn n LEU 3 N 0.00 3.99 -1.61 1.53 7.99 -1.26 -4.70 117.00 122.94 1jkn n LEU 3 Ca 0.05 -5.16 -0.02 0.00 -0.01 0.00 0.00 56.01 50.88 1jkn n LEU 3 Cb 0.19 -1.03 0.03 0.00 -0.11 0.00 0.00 43.42 42.50 1jkn n LEU 3 CO 0.13 1.61 0.34 0.61 -1.51 0.00 0.00 177.39 178.57 1jkn n GLY 4 N 2.19 0.25 3.53 -0.72 0.00 -1.26 -3.36 105.19 105.82 1jkn n GLY 4 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.49 -0.86 0.00 1.61 1.04 -1.26 -4.72 113.70 109.02 1jkn s SER 5 Ca 0.03 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1jkn s SER 5 Cb 0.14 1.97 0.00 0.00 0.10 0.00 0.00 66.02 68.22 1jkn s SER 5 CO -0.04 -0.17 0.00 0.23 0.98 0.00 0.00 173.24 174.24 1jkn n MET 6 N 5.18 0.00 -1.15 4.02 2.81 0.09 -4.96 117.12 123.10 1jkn n MET 6 Ca -0.11 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.73 1jkn n MET 6 Cb 0.51 -0.87 -0.02 0.00 -0.71 0.00 0.00 33.22 32.13 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 -2.24 -3.72 0.00 7.83 9.92 -1.26 -4.82 116.55 122.26 1jkn n ASP 7 Ca 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1jkn n ASP 7 Cb 0.37 -1.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 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 0.93 0.00 -4.60 -2.24 3.41 -1.26 -4.81 113.62 105.05 1jkn n SER 8 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 1jkn n SER 8 Cb 0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.62 3.33 0.52 4.33 0.04 -1.26 -4.80 135.00 136.54 1jkn s PRO 9 Ca 0.00 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1jkn s PRO 9 Cb 0.00 -4.20 0.13 0.00 0.04 0.00 0.00 34.50 30.47 1jkn s PRO 9 CO 0.00 -1.86 0.58 -2.30 0.04 0.00 0.00 177.00 173.46 1jkn n PRO 10 N 8.43 -1.30 -3.18 0.56 -0.02 -1.26 -5.06 135.00 133.17 1jkn n PRO 10 Ca 0.23 -0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 60.51 1jkn n PRO 10 Cb 0.47 -0.71 -0.03 0.00 -0.02 0.00 0.00 33.50 33.20 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 -4.28 3.69 0.00 -0.52 0.41 -1.26 -4.23 118.70 112.50 1jkn s GLU 11 Ca 0.35 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 1jkn s GLU 11 Cb -0.02 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1jkn s GLU 11 CO 0.25 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 1jkn n GLY 12 N -1.03 2.57 3.82 -1.39 0.00 -1.26 -5.01 105.19 102.89 1jkn n GLY 12 Ca -0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.98 3.74 0.36 1.61 2.02 -1.26 -3.23 117.35 119.61 1jkn s TYR 13 Ca 0.00 1.22 -0.13 0.00 -0.37 0.00 0.00 57.07 57.79 1jkn s TYR 13 Cb 0.00 -2.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.02 1jkn s TYR 13 CO 0.00 0.53 0.74 0.50 -1.57 0.00 0.00 175.55 175.76 1jkn s ARG 14 N -1.39 3.89 0.20 -0.62 3.52 -1.25 -4.72 118.95 118.58 1jkn s ARG 14 Ca 0.32 0.56 -0.32 0.00 -0.13 0.00 0.00 55.73 56.16 1jkn s ARG 14 Cb -0.18 -2.42 -0.12 0.00 -1.56 0.00 0.00 34.95 30.67 1jkn s ARG 14 CO 0.19 0.07 1.71 1.03 -0.81 0.00 0.00 175.30 177.49 1jkn s ARG 15 N -3.39 4.14 0.12 5.12 1.81 -1.26 -3.20 118.95 122.28 1jkn s ARG 15 Ca 0.52 2.58 -0.15 0.00 -1.72 0.00 0.00 55.73 56.96 1jkn s ARG 15 Cb -0.10 -3.12 0.03 0.00 -0.45 0.00 0.00 34.95 31.30 1jkn s ARG 15 CO 0.24 -0.74 0.37 -0.80 -0.68 0.00 0.00 175.30 173.69 1jkn s ASN 16 N 1.30 -0.18 0.04 0.23 -0.87 -1.17 -1.25 114.94 113.03 1jkn s ASN 16 Ca 0.75 -0.37 0.02 0.00 -1.57 0.00 0.00 52.86 51.69 1jkn s ASN 16 Cb -0.49 0.46 -0.02 0.00 -0.02 0.00 0.00 41.25 41.18 1jkn s ASN 16 CO 0.32 -0.84 -0.08 0.68 -2.57 0.00 0.00 177.10 174.61 1jkn s VAL 17 N -3.82 0.58 0.13 1.60 -7.23 0.20 -3.47 120.40 108.39 1jkn s VAL 17 Ca 0.04 -0.97 0.10 0.00 -1.81 0.00 0.00 61.98 59.34 1jkn s VAL 17 Cb 0.02 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1jkn s VAL 17 CO -0.11 -0.28 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.33 1jkn s GLY 18 N -1.37 1.63 -0.31 2.32 0.00 -1.24 -1.25 107.32 107.12 1jkn s GLY 18 Ca -0.07 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1jkn s GLY 18 CO 0.00 -1.40 0.06 -0.42 0.00 0.00 0.00 173.10 171.34 1jkn s ILE 19 N -1.11 1.41 -0.48 0.90 1.09 -0.70 -0.36 121.20 121.94 1jkn s ILE 19 Ca 0.16 -1.66 -0.21 0.00 -1.10 0.00 0.00 60.65 57.84 1jkn s ILE 19 Cb -0.10 -1.99 0.04 0.00 -1.06 0.00 0.00 42.46 39.34 1jkn s ILE 19 CO 0.08 -0.56 0.71 0.00 -0.10 0.00 0.00 174.94 175.07 1jkn s LEU 21 N 3.02 4.01 0.13 0.00 2.96 -1.26 0.21 118.68 127.75 1jkn s LEU 21 Ca 0.23 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1jkn s LEU 21 Cb -0.15 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1jkn s LEU 21 CO 0.18 0.19 -0.11 0.00 -1.32 0.00 0.00 176.35 175.29 1jkn s MET 22 N -2.28 1.01 0.41 1.98 0.23 0.80 0.13 119.30 121.58 1jkn s MET 22 Ca 0.30 -1.33 0.08 0.00 -1.03 0.00 0.00 55.69 53.70 1jkn s MET 22 Cb -0.12 -0.68 -0.01 0.00 -1.53 0.00 0.00 34.83 32.48 1jkn s MET 22 CO 0.22 0.10 0.42 0.54 -2.03 0.00 0.00 175.02 174.28 1jkn s ASN 23 N -2.82 5.23 0.55 -1.18 4.22 -0.77 -1.69 114.94 118.48 1jkn s ASN 23 Ca 0.12 -0.64 0.28 0.00 -2.14 0.00 0.00 52.86 50.48 1jkn s ASN 23 Cb -0.01 -0.62 1.55 0.00 1.28 0.00 0.00 41.25 43.45 1jkn s ASN 23 CO 0.01 -0.66 1.85 0.78 -2.04 0.00 0.00 177.10 177.04 1jkn h ASN 24 N 0.94 0.00 -0.10 3.54 4.21 -1.92 0.60 115.58 122.85 1jkn h ASN 24 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 1jkn h ASN 24 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1jkn h ASN 24 CO 0.54 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.15 1jkn n ASP 25 N -2.67 1.44 -0.73 5.81 9.92 -1.26 -4.90 116.55 124.15 1jkn n ASP 25 Ca -0.02 -1.60 -0.07 0.00 -0.53 0.00 0.00 54.79 52.57 1jkn n ASP 25 Cb 0.26 -0.06 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 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 0.15 -0.55 -2.76 -1.24 5.02 0.21 -5.04 118.16 113.97 1jkn n LYS 26 Ca 0.17 0.47 -0.20 0.00 -2.02 0.00 0.00 58.31 56.73 1jkn n LYS 26 Cb 0.31 -4.34 0.05 0.00 -0.02 0.00 0.00 35.03 31.03 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 -3.80 2.41 -0.25 1.97 -0.14 -1.24 -4.80 119.74 113.88 1jkn s LYS 27 Ca 0.00 -1.05 -0.05 0.00 -1.36 0.00 0.00 55.97 53.51 1jkn s LYS 27 Cb 0.00 -2.54 -0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1jkn s LYS 27 CO 0.00 -0.78 0.01 0.42 -0.76 0.00 0.00 175.35 174.25 1jkn s ILE 28 N -2.73 3.66 -0.42 2.17 1.09 0.29 -1.84 121.20 123.41 1jkn s ILE 28 Ca 0.59 -0.56 -0.33 0.00 -1.10 0.00 0.00 60.65 59.26 1jkn s ILE 28 Cb -0.09 -2.76 -0.11 0.00 -1.06 0.00 0.00 42.46 38.44 1jkn s ILE 28 CO 0.38 0.28 2.28 0.33 -0.10 0.00 0.00 174.94 178.11 1jkn n PHE 29 N 4.83 1.51 -4.97 3.97 7.35 0.34 -3.15 117.46 127.34 1jkn n PHE 29 Ca -0.17 0.22 -0.32 0.00 -0.76 0.00 0.00 57.45 56.43 1jkn n PHE 29 Cb 0.50 -2.55 -0.14 0.00 0.35 0.00 0.00 39.48 37.63 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 8.34 2.47 -0.01 3.13 0.00 -0.65 -4.65 121.76 130.38 1jkn s ALA 30 Ca 1.09 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1jkn s ALA 30 Cb -0.74 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1jkn s ALA 30 CO 0.44 0.55 -0.19 0.00 0.00 0.00 0.00 175.76 176.56 1jkn s ALA 31 N -0.74 1.57 0.54 0.00 0.00 -0.20 0.25 121.76 123.18 1jkn s ALA 31 Ca 0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1jkn s ALA 31 Cb -0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1jkn s ALA 31 CO 0.01 0.38 0.93 -1.54 0.00 0.00 0.00 175.76 175.54 1jkn s SER 32 N -0.54 6.35 0.83 0.00 1.04 0.95 -0.64 113.70 121.69 1jkn s SER 32 Ca 0.07 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 1jkn s SER 32 Cb -0.07 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.73 1jkn s SER 32 CO -0.00 -0.69 1.09 -0.13 0.98 0.00 0.00 173.24 174.49 1jkn s ARG 33 N -4.70 1.83 0.00 4.02 0.52 0.39 -2.80 118.95 118.20 1jkn s ARG 33 Ca 0.53 0.85 0.23 0.00 -0.52 0.00 0.00 55.73 56.82 1jkn s ARG 33 Cb -0.11 -1.87 0.13 0.00 0.52 0.00 0.00 34.95 33.62 1jkn s ARG 33 CO 0.45 -1.85 1.16 1.28 0.02 0.00 0.00 175.30 176.36 1jkn n LEU 34 N -3.62 1.41 0.00 2.53 4.77 -1.05 -3.91 117.00 117.12 1jkn n LEU 34 Ca 0.07 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1jkn n LEU 34 Cb 0.55 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1jkn n LEU 34 CO 0.55 0.28 -0.23 -0.67 -1.33 0.00 0.00 177.39 176.00 1jkn n ASP 35 N -0.70 2.31 -4.06 -1.43 -0.08 -1.26 -4.97 116.55 106.36 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 0.39 0.56 -0.15 0.00 2.34 0.00 0.00 41.12 44.27 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 -1.03 2.01 0.20 5.18 1.01 -1.26 -5.10 121.20 122.21 1jkn s ILE 36 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 58.97 1jkn s ILE 36 Cb 0.00 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 1jkn s ILE 36 CO 0.00 0.10 1.48 -2.16 0.00 0.00 0.00 174.94 174.36 1jkn s PRO 37 N 1.21 4.26 0.00 2.79 0.04 -1.26 -1.92 135.00 140.12 1jkn s PRO 37 Ca -0.05 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.28 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 -0.49 0.00 -3.47 0.04 0.00 0.00 177.00 173.01 1jkn n ASP 38 N 3.19 -0.85 -4.44 6.66 -0.08 -1.26 -4.97 116.55 114.80 1jkn n ASP 38 Ca 0.10 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.95 1jkn n ASP 38 Cb 0.40 -0.38 -0.04 0.00 2.34 0.00 0.00 41.12 43.44 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 -3.25 3.22 0.19 -1.67 0.00 -0.81 -4.98 121.76 114.47 1jkn s ALA 39 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 51.96 49.88 1jkn s ALA 39 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1jkn s ALA 39 CO 0.00 -2.77 0.23 -1.58 0.00 0.00 0.00 175.76 171.64 1jkn s TRP 40 N 3.54 3.30 0.13 0.00 0.52 -1.26 0.15 118.94 125.31 1jkn s TRP 40 Ca 0.23 0.01 -0.15 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 40 Cb -0.15 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.67 1jkn s TRP 40 CO 0.05 0.50 0.73 0.00 0.02 0.00 0.00 176.95 178.25 1jkn n GLN 41 N -0.74 0.45 -4.15 4.98 10.64 0.19 -4.40 117.38 124.35 1jkn n GLN 41 Ca -0.08 -1.02 -0.26 0.00 -1.83 0.00 0.00 57.00 53.81 1jkn n GLN 41 Cb 0.55 1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 31.26 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1jkn s MET 42 N -2.03 2.67 0.20 2.61 -1.94 -1.26 -1.03 119.30 118.52 1jkn s MET 42 Ca 0.16 -1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 52.83 1jkn s MET 42 Cb -0.02 -2.50 -0.09 0.00 2.01 0.00 0.00 34.83 34.23 1jkn s MET 42 CO 0.04 0.46 1.33 -1.25 -0.01 0.00 0.00 175.02 175.58 1jkn s PRO 43 N -3.12 4.37 0.12 2.03 0.04 -1.26 -4.97 135.00 132.21 1jkn s PRO 43 Ca 0.30 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 1jkn s PRO 43 Cb -0.09 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1jkn s PRO 43 CO 0.21 -0.28 0.42 1.14 0.04 0.00 0.00 177.00 178.54 1jkn s GLN 44 N -0.13 1.07 0.21 4.56 -2.07 -1.26 -1.73 119.66 120.31 1jkn s GLN 44 Ca 0.57 -0.64 -0.23 0.00 -1.82 0.00 0.00 55.36 53.24 1jkn s GLN 44 Cb -0.37 0.47 0.05 0.00 -1.09 0.00 0.00 33.01 32.07 1jkn s GLN 44 CO 0.39 -0.42 0.74 0.20 -1.32 0.00 0.00 175.29 174.88 1jkn s GLY 45 N -2.70 -0.27 0.10 2.60 0.00 -0.38 -5.00 107.32 101.66 1jkn s GLY 45 Ca 0.02 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 1jkn s GLY 45 CO -0.11 0.02 0.87 -0.32 0.00 0.00 0.00 173.10 173.55 1jkn s GLY 46 N -2.85 2.92 0.85 0.20 0.00 -1.26 0.60 107.32 107.78 1jkn s GLY 46 Ca 0.08 0.44 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1jkn s GLY 46 CO 0.00 1.25 1.11 -0.42 0.00 0.00 0.00 173.10 175.04 1jkn s ILE 47 N -0.19 2.74 0.25 0.90 1.01 -0.38 -4.83 121.20 120.70 1jkn s ILE 47 Ca 0.42 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 1jkn s ILE 47 Cb -0.22 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 1jkn s ILE 47 CO 0.27 -0.31 0.56 -1.81 0.00 0.00 0.00 174.94 173.65 1jkn s ASP 48 N -3.10 6.61 -0.72 3.58 1.11 -1.26 -4.86 116.67 118.03 1jkn s ASP 48 Ca 0.64 0.92 -0.26 0.00 0.18 0.00 0.00 52.55 54.02 1jkn s ASP 48 Cb -0.20 -2.22 -0.14 0.00 1.07 0.00 0.00 42.92 41.43 1jkn s ASP 48 CO 0.57 -0.10 2.48 -0.62 1.18 0.00 0.00 175.17 178.68 1jkn n GLU 49 N -0.27 0.59 -1.87 8.23 -0.58 -1.26 0.05 120.64 125.54 1jkn n GLU 49 Ca 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1jkn n GLU 49 Cb 0.53 -2.73 0.00 0.00 -0.57 0.00 0.00 31.44 28.66 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkn n GLY 50 N 6.22 0.94 3.50 0.62 0.00 -1.26 -5.08 105.19 110.13 1jkn n GLY 50 Ca 0.49 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1jkn n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkn s GLU 51 N -3.76 2.20 0.29 1.61 2.12 0.11 -5.11 118.70 116.15 1jkn s GLU 51 Ca 0.00 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.12 1jkn s GLU 51 Cb 0.00 -2.27 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 1jkn s GLU 51 CO 0.00 0.55 1.21 0.34 -0.54 0.00 0.00 175.26 176.83 1jkn s ASP 52 N -1.48 7.01 0.10 -1.70 2.15 -1.26 -4.70 116.67 116.80 1jkn s ASP 52 Ca 0.16 2.46 -0.29 0.00 0.43 0.00 0.00 52.55 55.31 1jkn s ASP 52 Cb -0.11 -2.63 -0.11 0.00 -0.30 0.00 0.00 42.92 39.77 1jkn s ASP 52 CO 0.06 -0.36 1.63 -0.65 -0.17 0.00 0.00 175.17 175.68 1jkn h PRO 53 N 3.86 -0.57 -0.03 4.34 0.11 -1.97 0.30 132.00 138.04 1jkn h PRO 53 Ca -0.47 0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1jkn h PRO 53 Cb 1.22 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1jkn h PRO 53 CO 0.68 -0.38 0.05 -0.09 -0.21 0.00 0.00 178.00 178.04 1jkn h ARG 54 N -0.59 0.00 0.04 1.05 2.43 -1.93 -1.23 114.38 114.15 1jkn h ARG 54 Ca 0.01 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 1jkn h ARG 54 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1jkn h ARG 54 CO -0.11 0.00 -0.83 -0.91 -1.51 0.00 0.00 179.97 176.61 1jkn h ASN 55 N 0.00 0.12 -0.31 -3.80 4.21 -1.71 -2.87 115.58 111.22 1jkn h ASN 55 Ca 0.01 -0.79 0.05 0.00 1.21 0.00 0.00 56.30 56.79 1jkn h ASN 55 Cb 0.11 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1jkn h ASN 55 CO -0.00 1.34 0.21 0.00 -1.29 0.00 0.00 177.43 177.70 1jkn h ALA 56 N -0.18 2.05 0.14 -0.83 0.00 -0.01 0.11 119.26 120.54 1jkn h ALA 56 Ca -0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jkn h ALA 56 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jkn h ALA 56 CO -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.02 1jkn h ALA 57 N 1.83 -0.19 -0.40 0.00 0.00 -1.35 0.82 119.26 119.97 1jkn h ALA 57 Ca 0.14 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1jkn h ALA 57 Cb 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jkn h ALA 57 CO -0.02 -0.27 0.30 0.82 0.00 0.00 0.00 179.25 180.07 1jkn h ILE 58 N -0.85 0.76 0.00 0.00 2.04 -1.21 0.21 117.51 118.45 1jkn h ILE 58 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1jkn h ILE 58 Cb 0.54 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1jkn h ILE 58 CO 0.03 0.00 -0.29 -0.09 0.00 0.00 0.00 178.15 177.80 1jkn h ARG 59 N 0.00 0.00 -0.70 2.37 2.43 -0.76 -3.28 114.38 114.43 1jkn h ARG 59 Ca 0.19 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.50 1jkn h ARG 59 Cb 0.78 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.23 1jkn h ARG 59 CO -0.00 0.69 0.20 0.93 -1.51 0.00 0.00 179.97 180.28 1jkn h GLU 60 N -1.00 0.31 0.04 0.20 4.39 0.13 -1.52 114.58 117.13 1jkn h GLU 60 Ca -0.07 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1jkn h GLU 60 Cb 0.80 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1jkn h GLU 60 CO -0.04 0.21 -0.16 1.25 -1.16 0.00 0.00 179.01 179.11 1jkn h LEU 61 N 0.32 -0.45 -0.67 1.33 5.85 -0.76 0.17 115.31 121.10 1jkn h LEU 61 Ca 0.39 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1jkn h LEU 61 Cb 0.62 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1jkn h LEU 61 CO -0.45 -0.22 0.00 -1.14 -0.34 0.00 0.00 178.44 176.29 1jkn n ARG 62 N -5.29 0.08 -0.03 1.25 0.63 -0.71 0.82 116.66 113.41 1jkn n ARG 62 Ca -0.06 0.52 -0.21 0.00 -0.92 0.00 0.00 57.85 57.18 1jkn n ARG 62 Cb 0.21 -1.73 -0.13 0.00 0.45 0.00 0.00 32.46 31.25 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jkn n GLU 63 N -1.90 0.71 -0.01 -0.14 1.02 0.35 -2.21 120.64 118.46 1jkn n GLU 63 Ca 0.00 0.30 -0.05 0.00 -0.02 0.00 0.00 57.16 57.38 1jkn n GLU 63 Cb 0.06 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.63 0.63 0.00 3.49 1.02 0.31 -3.17 120.64 119.28 1jkn n GLU 64 Ca -0.34 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1jkn n GLU 64 Cb 0.98 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jkn n THR 65 N -2.97 0.00 -0.99 2.62 -2.24 0.24 -3.98 114.28 106.96 1jkn n THR 65 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1jkn n THR 65 Cb 0.98 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 2.39 0.27 3.59 3.38 0.00 -0.03 0.15 105.19 114.95 1jkn n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.56 3.02 -0.08 1.61 1.01 -1.25 -4.71 120.40 118.44 1jkn s VAL 67 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1jkn s VAL 67 Cb 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 33.10 1jkn s VAL 67 CO 0.00 -0.02 0.52 0.71 0.00 0.00 0.00 175.10 176.30 1jkn h THR 68 N 7.22 0.74 -1.82 3.92 1.35 -1.91 -3.40 112.91 119.01 1jkn h THR 68 Ca -0.39 -2.51 -0.75 0.00 -0.55 0.00 0.00 66.41 62.21 1jkn h THR 68 Cb 1.24 2.48 -0.17 0.00 -1.73 0.00 0.00 68.15 69.97 1jkn h THR 68 CO 0.99 0.72 1.67 -1.20 -0.25 0.00 0.00 175.52 177.45 1jkn n SER 69 N -3.29 5.22 -3.69 5.36 7.64 -1.26 -4.89 113.62 118.70 1jkn n SER 69 Ca -0.25 -3.07 -0.11 0.00 1.01 0.00 0.00 58.87 56.45 1jkn n SER 69 Cb 1.05 -1.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 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 0.65 -0.84 0.09 -0.43 0.00 -1.26 0.10 121.76 120.07 1jkn s ALA 70 Ca 0.40 1.27 0.10 0.00 0.00 0.00 0.00 51.96 53.73 1jkn s ALA 70 Cb 0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1jkn s ALA 70 CO 0.01 -0.40 -0.26 -1.21 0.00 0.00 0.00 175.76 173.89 1jkn s GLU 71 N 1.77 1.59 -0.06 0.00 0.41 -0.83 -4.88 118.70 116.69 1jkn s GLU 71 Ca -0.06 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 52.96 1jkn s GLU 71 Cb -0.10 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.27 1jkn s GLU 71 CO -0.11 0.48 1.14 0.08 -0.49 0.00 0.00 175.26 176.36 1jkn s VAL 72 N -0.97 4.41 -0.16 2.63 1.01 -1.26 0.13 120.40 126.20 1jkn s VAL 72 Ca 0.13 1.72 0.12 0.00 0.00 0.00 0.00 61.98 63.96 1jkn s VAL 72 Cb -0.10 -4.11 -0.18 0.00 0.00 0.00 0.00 36.38 31.99 1jkn s VAL 72 CO 0.05 0.01 0.34 -0.38 0.00 0.00 0.00 175.10 175.11 1jkn n ILE 73 N 4.56 0.00 -3.68 2.22 2.08 -1.05 -4.88 119.36 118.60 1jkn n ILE 73 Ca 0.10 -0.27 -0.10 0.00 0.56 0.00 0.00 62.75 63.04 1jkn n ILE 73 Cb 0.47 0.42 -0.04 0.00 -0.75 0.00 0.00 39.64 39.74 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 -2.68 -0.92 -0.18 -1.39 0.00 -1.25 -4.97 121.76 110.36 1jkn s ALA 74 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1jkn s ALA 74 Cb 0.08 0.78 0.09 0.00 0.00 0.00 0.00 23.12 24.07 1jkn s ALA 74 CO 0.52 -0.72 0.31 -2.00 0.00 0.00 0.00 175.76 173.87 1jkn s GLU 75 N -3.84 0.24 0.15 0.00 2.12 -1.26 0.20 118.70 116.30 1jkn s GLU 75 Ca 0.06 0.63 -0.33 0.00 0.36 0.00 0.00 54.97 55.70 1jkn s GLU 75 Cb 0.01 -0.32 -0.12 0.00 0.26 0.00 0.00 34.13 33.95 1jkn s GLU 75 CO -0.08 -0.44 1.70 0.28 -0.54 0.00 0.00 175.26 176.18 1jkn n VAL 76 N 5.35 0.13 0.49 3.70 0.31 -0.78 -4.86 118.33 122.66 1jkn n VAL 76 Ca -0.06 -0.02 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 1jkn n VAL 76 Cb 0.50 -1.82 0.39 0.00 -0.91 0.00 0.00 33.84 31.99 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 4.33 0.08 -4.17 5.55 -0.04 -1.26 -4.78 135.00 134.70 1jkn n PRO 77 Ca 0.17 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.78 1jkn n PRO 77 Cb 0.32 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -3.11 1.11 0.31 0.54 -0.85 -1.26 -4.69 117.35 109.39 1jkn s TYR 78 Ca 0.06 -0.57 -0.27 0.00 -0.52 0.00 0.00 57.07 55.78 1jkn s TYR 78 Cb 0.10 -0.61 -0.10 0.00 0.38 0.00 0.00 41.96 41.73 1jkn s TYR 78 CO 0.33 0.03 0.94 -1.58 -1.52 0.00 0.00 175.55 173.75 1jkn s TRP 79 N -1.95 3.75 -0.24 -3.49 0.52 -1.26 -4.69 118.94 111.58 1jkn s TRP 79 Ca 0.02 1.81 -0.04 0.00 0.02 0.00 0.00 56.10 57.91 1jkn s TRP 79 Cb -0.06 -2.93 -0.00 0.00 -1.15 0.00 0.00 33.47 29.33 1jkn s TRP 79 CO 0.01 0.26 -0.01 -0.51 0.02 0.00 0.00 176.95 176.72 1jkn s LEU 80 N -1.88 3.18 -0.13 2.99 1.43 0.94 -0.73 118.68 124.48 1jkn s LEU 80 Ca 0.48 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1jkn s LEU 80 Cb -0.20 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1jkn s LEU 80 CO 0.25 -0.08 -0.12 0.42 0.23 0.00 0.00 176.35 177.06 1jkn s THR 81 N 1.47 3.15 0.14 5.49 -4.23 -1.26 -1.51 115.64 118.89 1jkn s THR 81 Ca 0.04 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1jkn s THR 81 Cb -0.15 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1jkn s THR 81 CO -0.02 0.53 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.79 1jkn s TYR 82 N 0.25 1.17 0.24 3.99 1.13 -1.22 -4.76 117.35 118.15 1jkn s TYR 82 Ca -0.08 -0.83 0.11 0.00 -1.41 0.00 0.00 57.07 54.85 1jkn s TYR 82 Cb -0.15 -0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 40.04 1jkn s TYR 82 CO 0.05 -0.01 -0.19 -0.51 -2.51 0.00 0.00 175.55 172.38 1jkn s ASP 83 N -3.14 3.25 0.17 -0.18 1.11 -1.26 -2.46 116.67 114.15 1jkn s ASP 83 Ca 0.16 -0.98 0.04 0.00 0.18 0.00 0.00 52.55 51.95 1jkn s ASP 83 Cb 0.04 -0.24 -0.04 0.00 1.07 0.00 0.00 42.92 43.75 1jkn s ASP 83 CO -0.00 0.00 0.23 -0.36 1.18 0.00 0.00 175.17 176.22 1jkn s PHE 84 N -2.39 3.34 1.21 4.23 0.08 -1.26 -4.92 117.98 118.27 1jkn s PHE 84 Ca 0.25 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1jkn s PHE 84 Cb -0.05 -1.59 0.30 0.00 -0.57 0.00 0.00 43.02 41.11 1jkn s PHE 84 CO 0.11 0.51 1.02 -1.25 -0.10 0.00 0.00 175.22 175.51 1jkn s PRO 85 N -3.26 -1.26 0.00 0.24 0.04 -1.26 -4.38 135.00 125.11 1jkn s PRO 85 Ca 0.33 0.59 0.09 0.00 0.04 0.00 0.00 61.00 62.05 1jkn s PRO 85 Cb -0.10 -1.53 0.38 0.00 0.04 0.00 0.00 34.50 33.29 1jkn s PRO 85 CO 0.26 -3.89 1.28 -2.30 0.04 0.00 0.00 177.00 172.40 1jkn n PRO 86 N -5.00 0.00 -0.10 0.56 -0.02 -1.26 0.30 135.00 129.48 1jkn n PRO 86 Ca 0.05 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 1jkn n PRO 86 Cb 0.56 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.40 1jkn n PRO 86 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jkn n LYS 87 N -1.49 0.67 0.02 -0.52 4.76 -1.26 -3.46 118.16 116.88 1jkn n LYS 87 Ca 0.02 0.11 -0.20 0.00 -2.87 0.00 0.00 58.31 55.37 1jkn n LYS 87 Cb 0.10 -1.56 -0.14 0.00 -1.84 0.00 0.00 35.03 31.59 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jkn h VAL 88 N 0.01 1.33 -0.34 -0.18 2.07 -1.80 -2.14 116.25 115.20 1jkn h VAL 88 Ca -0.53 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 64.51 1jkn h VAL 88 Cb 2.05 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 34.80 1jkn h VAL 88 CO -0.02 0.69 0.18 -0.09 0.02 0.00 0.00 177.57 178.36 1jkn h ARG 89 N -0.40 0.48 0.00 1.57 2.43 -0.36 0.78 114.38 118.88 1jkn h ARG 89 Ca -0.20 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1jkn h ARG 89 Cb 1.64 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 1jkn h ARG 89 CO 0.10 0.41 -0.26 1.49 -1.51 0.00 0.00 179.97 180.19 1jkn h GLU 90 N 0.42 0.00 0.08 0.20 4.81 -1.68 -1.68 114.58 116.72 1jkn h GLU 90 Ca 0.12 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 1jkn h GLU 90 Cb 0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1jkn h GLU 90 CO -0.02 0.26 -0.61 -0.22 -0.73 0.00 0.00 179.01 177.69 1jkn h LYS 91 N 0.00 0.16 -0.49 1.92 3.11 -0.64 -3.34 116.57 117.30 1jkn h LYS 91 Ca -0.00 -0.27 0.01 0.00 -2.81 0.00 0.00 60.65 57.57 1jkn h LYS 91 Cb 0.59 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 1jkn h LYS 91 CO 0.03 1.13 0.31 -0.07 -2.81 0.00 0.00 179.45 178.05 1jkn h LEU 92 N -0.64 0.53 -1.60 5.20 3.38 0.63 0.70 115.31 123.51 1jkn h LEU 92 Ca -0.12 -0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.21 1jkn h LEU 92 Cb 1.39 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1jkn h LEU 92 CO 0.06 0.38 0.85 0.78 0.09 0.00 0.00 178.44 180.60 1jkn h ASN 93 N 0.64 0.23 0.01 -0.43 2.35 -1.43 1.61 115.58 118.56 1jkn h ASN 93 Ca 0.18 0.07 -0.39 0.00 -0.55 0.00 0.00 56.30 55.62 1jkn h ASN 93 Cb -0.05 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1jkn h ASN 93 CO -0.05 -0.03 -2.15 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.47 1.55 0.25 2.81 5.41 -0.62 -2.70 119.36 121.58 1jkn n ILE 94 Ca 0.31 -0.34 -0.14 0.00 1.00 0.00 0.00 62.75 63.58 1jkn n ILE 94 Cb 1.26 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 38.27 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 -0.77 -0.64 0.07 0.38 1.08 0.12 -3.30 115.11 112.06 1jkn h GLN 95 Ca -0.57 0.04 -0.25 0.00 -1.45 0.00 0.00 58.65 56.42 1jkn h GLN 95 Cb 1.61 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1jkn h GLN 95 CO -0.28 -0.33 -1.11 -1.49 -0.95 0.00 0.00 178.83 174.67 1jkn h TRP 96 N -0.97 0.51 -0.49 2.96 4.06 0.19 -3.48 115.95 118.73 1jkn h TRP 96 Ca -0.07 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.55 1jkn h TRP 96 Cb 0.60 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 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 0.76 3.42 1.49 0.00 0.10 -4.99 105.19 107.25 1jkn n GLY 97 Ca -0.07 -0.71 -0.30 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 -2.91 3.55 -0.41 1.61 0.01 -1.23 -4.98 113.70 109.34 1jkn s SER 98 Ca 0.00 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.73 1jkn s SER 98 Cb 0.00 -0.43 0.45 0.00 0.21 0.00 0.00 66.02 66.26 1jkn s SER 98 CO 0.00 0.22 1.41 -0.90 0.41 0.00 0.00 173.24 174.38 1jkn n ASP 99 N 1.30 5.64 -4.82 2.44 5.75 -1.26 -3.97 116.55 121.63 1jkn n ASP 99 Ca -0.17 -3.76 -0.31 0.00 -0.01 0.00 0.00 54.79 50.55 1jkn n ASP 99 Cb 0.52 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1jkn s TRP 100 N -3.66 3.29 0.24 2.11 0.52 -1.26 -5.01 118.94 115.17 1jkn s TRP 100 Ca 0.54 0.13 0.07 0.00 0.02 0.00 0.00 56.10 56.87 1jkn s TRP 100 Cb 0.43 -1.66 0.25 0.00 -1.15 0.00 0.00 33.47 31.34 1jkn s TRP 100 CO -0.00 0.54 1.55 0.87 0.02 0.00 0.00 176.95 179.93 1jkn h LYS 101 N 3.21 0.09 0.00 4.98 6.56 -1.94 -3.49 116.57 125.98 1jkn h LYS 101 Ca -0.46 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1jkn h LYS 101 Cb 1.16 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1jkn h LYS 101 CO 0.69 0.73 0.00 0.41 -2.06 0.00 0.00 179.45 179.22 1jkn n GLY 102 N 0.39 2.63 3.37 3.86 0.00 -1.26 -4.04 105.19 110.15 1jkn n GLY 102 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.40 1.61 -0.21 -1.03 -3.74 119.66 121.31 1jkn s GLN 103 Ca 0.00 1.17 -0.20 0.00 0.02 0.00 0.00 55.36 56.35 1jkn s GLN 103 Cb 0.00 0.56 0.01 0.00 1.00 0.00 0.00 33.01 34.59 1jkn s GLN 103 CO 0.00 -0.38 0.59 0.00 -2.12 0.00 0.00 175.29 173.38 1jkn s ALA 104 N 2.81 3.40 0.07 6.09 0.00 -1.20 -3.41 121.76 129.53 1jkn s ALA 104 Ca 0.05 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1jkn s ALA 104 Cb -0.13 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1jkn s ALA 104 CO -0.18 -1.56 -0.12 1.14 0.00 0.00 0.00 175.76 175.03 1jkn s GLN 105 N 2.63 0.77 -0.59 0.00 -2.07 -0.57 -3.02 119.66 116.81 1jkn s GLN 105 Ca 0.21 -0.95 -0.13 0.00 -1.82 0.00 0.00 55.36 52.68 1jkn s GLN 105 Cb -0.15 -0.69 0.15 0.00 -1.09 0.00 0.00 33.01 31.23 1jkn s GLN 105 CO 0.16 0.15 0.51 0.15 -1.32 0.00 0.00 175.29 174.94 1jkn s LYS 106 N -1.85 2.96 0.33 9.60 -0.14 -1.23 -0.04 119.74 129.37 1jkn s LYS 106 Ca -0.03 -1.96 -0.29 0.00 -1.36 0.00 0.00 55.97 52.34 1jkn s LYS 106 Cb -0.09 -4.19 -0.10 0.00 -1.68 0.00 0.00 37.83 31.77 1jkn s LYS 106 CO 0.02 -1.27 1.36 -1.58 -0.76 0.00 0.00 175.35 173.12 1jkn s TRP 107 N 1.09 2.95 -0.03 3.18 0.52 -1.26 -3.61 118.94 121.77 1jkn s TRP 107 Ca 0.08 1.30 0.07 0.00 0.02 0.00 0.00 56.10 57.58 1jkn s TRP 107 Cb -0.24 -3.77 -0.02 0.00 -1.15 0.00 0.00 33.47 28.29 1jkn s TRP 107 CO -0.01 -2.22 -0.25 -0.06 0.02 0.00 0.00 176.95 174.43 1jkn s PHE 108 N -0.96 2.34 0.53 -1.98 0.40 0.51 -1.87 117.98 116.95 1jkn s PHE 108 Ca 0.51 -0.53 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 1jkn s PHE 108 Cb -0.41 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.53 1jkn s PHE 108 CO 0.54 -0.10 0.99 -1.17 0.70 0.00 0.00 175.22 176.18 1jkn s LEU 109 N -0.45 3.58 -0.13 -0.37 2.96 0.13 0.13 118.68 124.52 1jkn s LEU 109 Ca 0.05 1.57 -0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1jkn s LEU 109 Cb -0.11 -4.51 0.05 0.00 0.50 0.00 0.00 46.19 42.13 1jkn s LEU 109 CO 0.01 -0.64 0.30 -0.36 -1.32 0.00 0.00 176.35 174.33 1jkn s PHE 110 N -2.67 -0.44 -0.26 5.38 0.40 0.57 -2.53 117.98 118.43 1jkn s PHE 110 Ca 0.59 0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 57.73 1jkn s PHE 110 Cb -0.10 0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.50 1jkn s PHE 110 CO 0.34 -0.29 0.48 0.21 0.70 0.00 0.00 175.22 176.66 1jkn s LYS 111 N 1.56 4.07 -0.02 0.44 2.20 0.34 -0.14 119.74 128.19 1jkn s LYS 111 Ca -0.07 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 1jkn s LYS 111 Cb -0.10 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1jkn s LYS 111 CO -0.10 -0.31 1.61 0.12 -0.36 0.00 0.00 175.35 176.31 1jkn s PHE 112 N 2.19 2.24 -0.26 4.03 5.36 -0.68 -1.97 117.98 128.88 1jkn s PHE 112 Ca 0.20 0.33 0.10 0.00 -0.96 0.00 0.00 56.93 56.61 1jkn s PHE 112 Cb -0.16 -3.88 0.46 0.00 -0.34 0.00 0.00 43.02 39.10 1jkn s PHE 112 CO 0.09 -3.60 1.19 0.25 -1.46 0.00 0.00 175.22 171.69 1jkn n THR 113 N 5.16 2.22 -0.88 0.12 -2.24 0.28 -4.75 114.28 114.19 1jkn n THR 113 Ca 0.16 -3.73 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 1jkn n THR 113 Cb 0.42 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.74 5.55 3.26 3.38 0.00 -1.20 -4.78 105.19 110.66 1jkn n GLY 114 Ca 0.33 -1.08 -0.19 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 3.69 1.08 0.46 1.61 -0.21 -1.26 -5.00 119.66 120.03 1jkn s GLN 115 Ca 0.00 -1.26 0.15 0.00 0.02 0.00 0.00 55.36 54.27 1jkn s GLN 115 Cb 0.00 -1.04 0.81 0.00 1.00 0.00 0.00 33.01 33.78 1jkn s GLN 115 CO 0.00 0.21 1.38 -0.44 -2.12 0.00 0.00 175.29 174.32 1jkn h ASP 116 N 3.53 0.00 1.42 5.90 3.32 -2.02 0.82 116.42 129.38 1jkn h ASP 116 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1jkn h ASP 116 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jkn h ASP 116 CO 0.49 0.00 0.00 -0.61 -1.72 0.00 0.00 179.24 177.40 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 5.75 -2.04 -3.06 115.11 119.32 1jkn h GLN 117 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 1jkn h GLN 117 Cb 0.88 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1jkn h GLN 117 CO 0.00 0.00 -0.59 1.49 -2.65 0.00 0.00 178.83 177.08 1jkn h GLU 118 N 0.00 0.00 -6.10 1.69 4.57 0.28 -3.42 114.58 111.59 1jkn h GLU 118 Ca 0.00 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.67 1jkn h GLU 118 Cb 0.71 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 1jkn h GLU 118 CO 0.00 0.52 1.24 0.42 -1.18 0.00 0.00 179.01 180.01 1jkn s ILE 119 N -2.94 3.49 -0.49 2.32 1.01 -1.16 -3.85 121.20 119.59 1jkn s ILE 119 Ca 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 1jkn s ILE 119 Cb 0.08 -4.30 0.13 0.00 0.01 0.00 0.00 42.46 38.37 1jkn s ILE 119 CO 0.75 -1.26 0.28 0.21 0.00 0.00 0.00 174.94 174.92 1jkn s ASN 120 N 6.54 5.11 0.64 3.58 3.04 0.41 -4.94 114.94 129.31 1jkn s ASN 120 Ca 0.56 -2.43 0.32 0.00 0.04 0.00 0.00 52.86 51.35 1jkn s ASN 120 Cb -0.11 -1.80 1.75 0.00 -1.54 0.00 0.00 41.25 39.55 1jkn s ASN 120 CO 0.17 -0.44 2.03 -0.07 -3.04 0.00 0.00 177.10 175.75 1jkn h LEU 121 N 7.50 0.00 0.78 3.21 3.38 -1.74 -2.12 115.31 126.31 1jkn h LEU 121 Ca -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1jkn h LEU 121 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1jkn h LEU 121 CO 0.69 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.77 1jkn h LEU 122 N 0.00 -0.88 0.00 1.67 3.38 -1.82 -3.27 115.31 114.39 1jkn h LEU 122 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 122 Cb 0.59 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1jkn h LEU 122 CO -0.00 -0.53 0.00 0.61 0.09 0.00 0.00 178.44 178.61 1jkn n GLY 123 N -0.98 0.30 2.13 0.83 0.00 -0.80 -3.19 105.19 103.48 1jkn n GLY 123 Ca -0.13 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 1jkn n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkn n ASP 124 N 3.00 6.86 -0.98 1.61 5.68 -1.00 -4.58 116.55 127.14 1jkn n ASP 124 Ca 0.00 -3.46 -0.10 0.00 -0.50 0.00 0.00 54.79 50.73 1jkn n ASP 124 Cb 0.00 -0.99 -0.02 0.00 -1.14 0.00 0.00 41.12 38.97 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkn n GLY 125 N -0.42 0.46 1.02 6.12 0.00 -1.26 -4.90 105.19 106.20 1jkn n GLY 125 Ca 0.49 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.22 0.00 -4.91 1.61 2.88 -1.26 -5.10 113.62 107.06 1jkn n SER 126 Ca -0.11 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.16 1jkn n SER 126 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.97 2.86 0.33 -1.46 0.41 -1.26 -5.07 118.70 113.53 1jkn s GLU 127 Ca 0.00 0.06 -0.17 0.00 -0.41 0.00 0.00 54.97 54.45 1jkn s GLU 127 Cb 0.00 -2.22 -0.09 0.00 -1.78 0.00 0.00 34.13 30.04 1jkn s GLU 127 CO 0.00 -0.80 0.79 0.15 -0.49 0.00 0.00 175.26 174.91 1jkn s LYS 128 N -5.07 4.11 0.12 1.61 -0.14 -1.26 -4.55 119.74 114.55 1jkn s LYS 128 Ca 0.55 0.82 -0.35 0.00 -1.36 0.00 0.00 55.97 55.62 1jkn s LYS 128 Cb -0.11 -2.46 -0.16 0.00 -1.68 0.00 0.00 37.83 33.43 1jkn s LYS 128 CO 0.46 0.16 1.38 -2.30 -0.76 0.00 0.00 175.35 174.29 1jkn n PRO 129 N -0.23 1.42 -0.05 -1.68 -0.02 -1.19 -4.89 135.00 128.36 1jkn n PRO 129 Ca 0.03 0.51 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1jkn n PRO 129 Cb 0.53 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.61 2.22 -4.46 -0.52 4.71 -1.23 -4.99 120.64 118.98 1jkn n GLU 130 Ca 0.17 -0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.08 1jkn n GLU 130 Cb 0.22 -1.27 -0.10 0.00 -1.01 0.00 0.00 31.44 29.28 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 -2.25 2.30 -0.06 -0.32 0.08 -1.26 -2.53 117.98 113.94 1jkn s PHE 131 Ca -0.06 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1jkn s PHE 131 Cb 0.03 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1jkn s PHE 131 CO 0.43 0.70 0.09 0.41 -0.10 0.00 0.00 175.22 176.75 1jkn n GLY 132 N -0.55 0.19 3.62 4.36 0.00 -1.12 -4.63 105.19 107.05 1jkn n GLY 132 Ca -0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.85 1.79 0.06 1.61 8.01 -1.26 -5.01 118.70 122.05 1jkn s GLU 133 Ca -0.00 -1.42 -0.27 0.00 0.01 0.00 0.00 54.97 53.30 1jkn s GLU 133 Cb 0.02 0.50 0.07 0.00 -4.31 0.00 0.00 34.13 30.41 1jkn s GLU 133 CO 0.12 -0.77 0.63 1.67 0.01 0.00 0.00 175.26 176.93 1jkn s TRP 134 N -3.43 -0.59 0.12 1.61 1.48 -1.26 -0.03 118.94 116.83 1jkn s TRP 134 Ca 0.23 0.70 -0.17 0.00 -1.06 0.00 0.00 56.10 55.81 1jkn s TRP 134 Cb -0.02 0.48 0.04 0.00 -1.16 0.00 0.00 33.47 32.81 1jkn s TRP 134 CO 0.13 -0.73 0.41 -1.12 -4.06 0.00 0.00 176.95 171.58 1jkn s SER 135 N -2.00 -0.25 -0.21 -2.66 0.01 0.14 -4.96 113.70 103.77 1jkn s SER 135 Ca -0.05 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.77 1jkn s SER 135 Cb -0.01 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1jkn s SER 135 CO -0.02 -0.84 0.47 0.26 0.41 0.00 0.00 173.24 173.53 1jkn s TRP 136 N -3.66 3.36 0.05 2.43 0.52 -1.26 -1.64 118.94 118.74 1jkn s TRP 136 Ca 0.02 0.70 0.03 0.00 0.02 0.00 0.00 56.10 56.86 1jkn s TRP 136 Cb 0.01 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1jkn s TRP 136 CO -0.11 -0.09 -0.09 0.14 0.02 0.00 0.00 176.95 176.82 1jkn s VAL 137 N 1.60 0.63 0.78 4.03 -7.23 -1.19 -4.87 120.40 114.14 1jkn s VAL 137 Ca 0.22 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 1jkn s VAL 137 Cb -0.15 -0.77 0.06 0.00 0.56 0.00 0.00 36.38 36.07 1jkn s VAL 137 CO 0.09 -0.41 1.09 0.42 -0.31 0.00 0.00 175.10 175.98 1jkn s THR 138 N -1.59 3.33 0.34 5.32 -4.23 -1.26 0.10 115.64 117.66 1jkn s THR 138 Ca -0.07 0.43 0.31 0.00 -1.18 0.00 0.00 61.69 61.19 1jkn s THR 138 Cb -0.09 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.12 1jkn s THR 138 CO 0.00 -0.57 1.95 1.55 -0.54 0.00 0.00 174.62 177.01 1jkn h PRO 139 N -1.13 0.00 0.05 3.99 0.13 -1.95 0.16 132.00 133.24 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1jkn h PRO 139 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.52 0.00 -1.93 0.39 -0.23 0.00 0.00 178.00 176.76 1jkn n GLU 140 N -2.68 0.69 -0.01 0.86 1.02 -1.26 -3.55 120.64 115.70 1jkn n GLU 140 Ca -0.02 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1jkn n GLU 140 Cb 0.15 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.75 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 -0.03 -0.65 3.49 1.08 -1.24 -2.79 115.11 115.00 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 -0.03 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.07 0.52 0.46 1.25 -0.95 0.00 0.00 178.83 180.18 1jkn h LEU 142 N -0.61 0.13 -1.27 1.46 5.85 -1.00 1.02 115.31 120.89 1jkn h LEU 142 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1jkn h LEU 142 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1jkn h LEU 142 CO 0.01 0.07 -0.35 0.40 -0.34 0.00 0.00 178.44 178.23 1jkn h ILE 143 N 0.14 1.09 0.00 4.05 1.08 -1.58 0.34 117.51 122.64 1jkn h ILE 143 Ca 0.31 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1jkn h ILE 143 Cb 1.05 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1jkn h ILE 143 CO -0.04 0.34 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.85 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 0.68 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.74 1jkn h ASP 144 CO 0.05 0.07 -1.71 -0.07 -2.88 0.00 0.00 179.24 174.70 1jkn h LEU 145 N 0.00 0.59-10.09 2.28 3.38 -0.47 -3.47 115.31 107.53 1jkn h LEU 145 Ca -0.00 -0.87 -0.50 0.00 0.09 0.00 0.00 57.88 56.60 1jkn h LEU 145 Cb 1.05 -0.19 0.21 0.00 0.09 0.00 0.00 40.66 41.82 1jkn h LEU 145 CO 0.01 1.73 -0.09 0.41 0.09 0.00 0.00 178.44 180.59 1jkn n THR 146 N -3.57 0.00 -3.50 0.22 -1.04 0.03 -4.47 114.28 101.95 1jkn n THR 146 Ca -0.23 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.40 1jkn n THR 146 Cb 1.07 -0.89 -0.01 0.00 -1.82 0.00 0.00 70.33 68.68 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 -2.51 5.00 0.47 12.58 0.11 -1.26 -4.87 120.40 129.91 1jkn s VAL 147 Ca 0.64 -0.63 0.25 0.00 -2.93 0.00 0.00 61.98 59.32 1jkn s VAL 147 Cb -0.22 -3.81 0.45 0.00 -1.53 0.00 0.00 36.38 31.27 1jkn s VAL 147 CO 0.62 -0.46 1.83 -0.33 -3.33 0.00 0.00 175.10 173.43 1jkn h GLU 148 N 0.83 0.20 -0.52 1.54 5.08 -1.95 0.48 114.58 120.24 1jkn h GLU 148 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1jkn h GLU 148 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jkn h GLU 148 CO 0.60 0.13 0.00 1.97 -1.00 0.00 0.00 179.01 180.72 1jkn n PHE 149 N -4.41 0.66 -0.68 4.33 1.16 -1.26 -3.76 117.46 113.50 1jkn n PHE 149 Ca 0.22 -0.27 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 1jkn n PHE 149 Cb 0.93 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.68 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 0.44 0.05 0.24 3.97 5.02 0.15 -4.62 118.16 123.41 1jkn n LYS 150 Ca 0.12 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1jkn n LYS 150 Cb 0.45 -0.37 -0.08 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.78 -0.73 1.97 1.57 -1.12 -0.52 116.57 116.95 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 0.34 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1jkn h LYS 151 CO 0.00 -0.52 0.45 -1.00 -0.57 0.00 0.00 179.45 177.80 1jkn h PRO 152 N -0.81 0.99 -0.34 3.15 0.13 -1.84 0.72 132.00 134.00 1jkn h PRO 152 Ca -0.05 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 65.05 1jkn h PRO 152 Cb 0.70 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1jkn h PRO 152 CO -0.04 0.70 0.24 0.28 -0.23 0.00 0.00 178.00 178.95 1jkn h VAL 153 N 1.00 0.93 0.00 1.56 2.07 -1.54 -0.17 116.25 120.10 1jkn h VAL 153 Ca 0.26 -0.06 -0.23 0.00 0.82 0.00 0.00 66.70 67.49 1jkn h VAL 153 Cb -0.04 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jkn h VAL 153 CO -0.05 0.03 -1.30 -1.22 0.02 0.00 0.00 177.57 175.06 1jkn n TYR 154 N -4.47 0.94 -0.27 1.57 4.02 -0.22 -3.67 117.16 115.06 1jkn n TYR 154 Ca 0.04 0.41 0.23 0.00 -0.01 0.00 0.00 57.90 58.58 1jkn n TYR 154 Cb 0.28 -1.07 0.57 0.00 -0.02 0.00 0.00 39.34 39.09 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 0.29 -0.25 -0.72 3.64 0.61 0.33 116.57 119.47 1jkn h LYS 155 Ca -0.35 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1jkn h LYS 155 Cb 1.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1jkn h LYS 155 CO -0.21 0.19 -0.09 1.49 -2.27 0.00 0.00 179.45 178.56 1jkn h GLU 156 N 0.30 0.51 -0.61 1.90 4.57 -1.19 0.47 114.58 120.53 1jkn h GLU 156 Ca 0.52 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 1jkn h GLU 156 Cb 1.48 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.01 1jkn h GLU 156 CO -0.18 0.75 0.35 0.28 -1.18 0.00 0.00 179.01 179.04 1jkn h VAL 157 N 0.24 1.02 -0.05 0.32 2.07 -0.49 0.22 116.25 119.58 1jkn h VAL 157 Ca 0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jkn h VAL 157 Cb 0.58 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1jkn h VAL 157 CO 0.03 0.12 -0.03 -0.07 0.02 0.00 0.00 177.57 177.64 1jkn h LEU 158 N 0.68 0.12 -0.66 2.57 3.38 -0.97 -1.84 115.31 118.59 1jkn h LEU 158 Ca 0.26 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1jkn h LEU 158 Cb 0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1jkn h LEU 158 CO -0.14 0.53 0.19 -1.28 0.09 0.00 0.00 178.44 177.84 1jkn h SER 159 N -0.29 0.10 0.74 -0.43 0.87 0.39 2.15 113.55 117.08 1jkn h SER 159 Ca 0.01 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1jkn h SER 159 Cb 0.49 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1jkn h SER 159 CO 0.01 0.04 -0.22 0.58 -0.53 0.00 0.00 176.83 176.72 1jkn h VAL 160 N 0.33 0.61 -0.02 2.23 2.07 -0.54 -2.78 116.25 118.15 1jkn h VAL 160 Ca 0.35 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jkn h VAL 160 Cb 0.53 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1jkn h VAL 160 CO -0.41 0.21 -0.22 0.49 0.02 0.00 0.00 177.57 177.67 1jkn n PHE 161 N -3.49 0.00 -0.17 1.57 3.72 0.11 -4.58 117.46 114.62 1jkn n PHE 161 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1jkn n PHE 161 Cb 0.38 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.94 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 3.99 0.05 -0.13 4.37 0.00 0.36 0.35 119.26 128.25 1jkn h ALA 162 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jkn h ALA 162 Cb 0.82 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1jkn h ALA 162 CO 0.00 -0.62 0.34 -1.00 0.00 0.00 0.00 179.25 177.97 1jkn h PRO 163 N -0.15 0.00 0.00 0.00 0.13 -1.81 0.31 132.00 130.49 1jkn h PRO 163 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1jkn h PRO 163 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1jkn h PRO 163 CO -0.62 0.00 -1.46 0.72 -0.23 0.00 0.00 178.00 176.41 1jkn n HIS 164 N -3.20 0.19 -0.07 1.56 8.25 0.11 -5.22 115.22 116.83 1jkn n HIS 164 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1jkn n HIS 164 Cb 0.43 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26