#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 3.94 -1.40 1.61 0.04 -1.26 -3.32 135.00 134.60 1jkn s PRO 2 Ca 0.00 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1jkn s PRO 2 Cb 0.00 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1jkn s PRO 2 CO 0.00 -0.42 1.02 -0.11 0.04 0.00 0.00 177.00 177.53 1jkn n LEU 3 N -0.13 -3.20 0.27 -3.56 -0.00 -1.26 -4.93 117.00 104.19 1jkn n LEU 3 Ca 0.05 -0.46 -0.14 0.00 -0.00 0.00 0.00 56.01 55.46 1jkn n LEU 3 Cb 0.47 -3.00 -0.07 0.00 -0.00 0.00 0.00 43.42 40.82 1jkn n LEU 3 CO 0.50 0.54 0.47 1.23 -0.00 0.00 0.00 177.39 180.12 1jkn h GLY 4 N -2.33 -0.74 0.00 -3.96 0.00 -1.90 -3.46 103.07 90.69 1jkn h GLY 4 Ca -0.55 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jkn h GLY 4 CO 0.56 -0.27 0.00 -1.14 0.00 0.00 0.00 176.54 175.69 1jkn n SER 5 N -5.29 0.45 0.00 0.19 3.41 -1.26 -4.24 113.62 106.88 1jkn n SER 5 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1jkn n SER 5 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jkn n SER 5 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1jkn n MET 6 N 0.00 0.00 -1.08 4.33 1.56 0.26 -4.51 117.12 117.68 1jkn n MET 6 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.40 1jkn n MET 6 Cb 0.00 -0.29 -0.01 0.00 2.15 0.00 0.00 33.22 35.07 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1jkn n ASP 7 N -1.53 -3.79 0.00 6.12 9.92 -1.24 -4.83 116.55 121.20 1jkn n ASP 7 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1jkn n ASP 7 Cb 0.00 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.94 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jkn n SER 8 N 0.33 0.00 -4.64 -2.24 7.64 -1.26 -4.78 113.62 108.67 1jkn n SER 8 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.42 1jkn n SER 8 Cb 0.17 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jkn s PRO 9 N -0.17 4.11 0.84 1.43 0.04 -1.26 -4.85 135.00 135.14 1jkn s PRO 9 Ca 0.00 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 1jkn s PRO 9 Cb 0.00 -3.71 0.15 0.00 0.04 0.00 0.00 34.50 30.98 1jkn s PRO 9 CO 0.00 -0.83 1.17 -1.25 0.04 0.00 0.00 177.00 176.13 1jkn s PRO 10 N 3.51 1.22 -0.10 0.56 0.05 -1.26 -4.98 135.00 134.01 1jkn s PRO 10 Ca 0.44 -0.63 0.09 0.00 0.05 0.00 0.00 61.00 60.95 1jkn s PRO 10 Cb -0.13 -2.06 0.44 0.00 0.05 0.00 0.00 34.50 32.80 1jkn s PRO 10 CO 0.13 -1.92 1.23 0.39 0.05 0.00 0.00 177.00 176.88 1jkn n GLU 11 N -3.33 2.88 0.00 4.56 1.02 -1.26 -3.64 120.64 120.87 1jkn n GLU 11 Ca 0.14 -1.70 0.07 0.00 -0.02 0.00 0.00 57.16 55.65 1jkn n GLU 11 Cb 0.60 -1.77 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1jkn n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jkn n GLY 12 N 0.57 -0.02 3.23 0.62 0.00 -1.26 -4.98 105.19 103.33 1jkn n GLY 12 Ca 0.15 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -1.50 1.38 0.41 1.61 2.02 -1.24 -2.18 117.35 117.84 1jkn s TYR 13 Ca 0.14 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.17 1jkn s TYR 13 Cb 0.12 -0.74 -0.08 0.00 -0.40 0.00 0.00 41.96 40.86 1jkn s TYR 13 CO 0.28 0.12 0.84 0.50 -1.57 0.00 0.00 175.55 175.72 1jkn s ARG 14 N -2.38 3.98 -0.04 -0.62 3.00 -1.00 -4.58 118.95 117.31 1jkn s ARG 14 Ca 0.06 0.77 -0.30 0.00 -1.00 0.00 0.00 55.73 55.26 1jkn s ARG 14 Cb -0.07 -2.31 -0.04 0.00 0.00 0.00 0.00 34.95 32.54 1jkn s ARG 14 CO 0.03 -0.02 1.25 1.03 0.00 0.00 0.00 175.30 177.58 1jkn s ARG 15 N -3.47 4.34 0.10 5.12 1.81 -1.26 -1.75 118.95 123.84 1jkn s ARG 15 Ca 0.56 1.74 -0.15 0.00 -1.72 0.00 0.00 55.73 56.16 1jkn s ARG 15 Cb -0.10 -3.56 0.03 0.00 -0.45 0.00 0.00 34.95 30.87 1jkn s ARG 15 CO 0.23 -0.48 0.37 -0.80 -0.68 0.00 0.00 175.30 173.94 1jkn s ASN 16 N 1.57 -0.18 -0.03 0.23 -0.87 -1.21 -2.01 114.94 112.43 1jkn s ASN 16 Ca 0.58 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 51.58 1jkn s ASN 16 Cb -0.26 0.44 0.00 0.00 -0.02 0.00 0.00 41.25 41.41 1jkn s ASN 16 CO 0.23 -0.80 -0.12 0.68 -2.57 0.00 0.00 177.10 174.52 1jkn s VAL 17 N -3.57 1.04 0.09 1.60 -7.23 0.21 -3.29 120.40 109.25 1jkn s VAL 17 Ca 0.02 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1jkn s VAL 17 Cb 0.02 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 1jkn s VAL 17 CO -0.10 0.31 0.12 -0.83 -0.31 0.00 0.00 175.10 174.29 1jkn s GLY 18 N 0.12 1.99 -0.31 2.32 0.00 -1.17 -1.65 107.32 108.62 1jkn s GLY 18 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1jkn s GLY 18 CO 0.01 -1.00 0.05 -0.42 0.00 0.00 0.00 173.10 171.75 1jkn s ILE 19 N -1.48 1.54 -0.58 0.90 1.09 -0.03 -1.39 121.20 121.24 1jkn s ILE 19 Ca 0.31 -1.75 -0.22 0.00 -1.10 0.00 0.00 60.65 57.89 1jkn s ILE 19 Cb -0.12 -2.09 0.06 0.00 -1.06 0.00 0.00 42.46 39.25 1jkn s ILE 19 CO 0.23 -0.55 0.85 0.00 -0.10 0.00 0.00 174.94 175.37 1jkn s LEU 21 N 3.53 4.03 0.16 0.00 2.96 -1.26 0.17 118.68 128.28 1jkn s LEU 21 Ca 0.21 0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1jkn s LEU 21 Cb -0.17 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1jkn s LEU 21 CO 0.13 0.27 -0.15 0.00 -1.32 0.00 0.00 176.35 175.28 1jkn s MET 22 N -1.81 1.19 0.42 1.98 0.23 0.14 0.13 119.30 121.58 1jkn s MET 22 Ca 0.24 -1.43 0.08 0.00 -1.03 0.00 0.00 55.69 53.55 1jkn s MET 22 Cb -0.12 -1.04 -0.00 0.00 -1.53 0.00 0.00 34.83 32.14 1jkn s MET 22 CO 0.15 0.19 0.50 0.54 -2.03 0.00 0.00 175.02 174.37 1jkn s ASN 23 N -2.91 5.45 0.53 -1.18 4.22 -0.73 -1.73 114.94 118.58 1jkn s ASN 23 Ca 0.16 -0.53 0.27 0.00 -2.14 0.00 0.00 52.86 50.63 1jkn s ASN 23 Cb -0.03 -0.63 1.50 0.00 1.28 0.00 0.00 41.25 43.37 1jkn s ASN 23 CO 0.05 -0.72 1.82 0.78 -2.04 0.00 0.00 177.10 176.99 1jkn h ASN 24 N 0.78 0.00 -0.03 3.54 4.21 -1.92 0.56 115.58 122.72 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.11 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1jkn h ASN 24 CO 0.49 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.10 1jkn n ASP 25 N -2.63 1.36 -0.37 5.81 8.00 -1.26 -4.91 116.55 122.56 1jkn n ASP 25 Ca -0.02 -1.47 -0.04 0.00 0.71 0.00 0.00 54.79 53.97 1jkn n ASP 25 Cb 0.25 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.28 -2.77 -1.24 5.02 0.20 -5.05 118.16 114.10 1jkn n LYS 26 Ca 0.19 0.37 -0.20 0.00 -2.02 0.00 0.00 58.31 56.65 1jkn n LYS 26 Cb 0.33 -4.05 0.04 0.00 -0.02 0.00 0.00 35.03 31.32 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 -3.41 2.48 -0.24 1.97 1.02 -1.25 -4.83 119.74 115.49 1jkn s LYS 27 Ca 0.00 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 54.89 1jkn s LYS 27 Cb 0.00 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1jkn s LYS 27 CO 0.00 -0.71 0.02 0.42 -0.92 0.00 0.00 175.35 174.16 1jkn s ILE 28 N -2.69 3.83 -0.36 2.17 1.09 0.27 -1.78 121.20 123.73 1jkn s ILE 28 Ca 0.58 -0.37 -0.32 0.00 -1.10 0.00 0.00 60.65 59.44 1jkn s ILE 28 Cb -0.09 -2.79 -0.10 0.00 -1.06 0.00 0.00 42.46 38.42 1jkn s ILE 28 CO 0.38 0.35 2.24 0.33 -0.10 0.00 0.00 174.94 178.15 1jkn n PHE 29 N 4.86 1.63 -5.05 3.97 7.35 0.34 -2.98 117.46 127.58 1jkn n PHE 29 Ca -0.17 0.16 -0.32 0.00 -0.76 0.00 0.00 57.45 56.36 1jkn n PHE 29 Cb 0.51 -2.59 -0.15 0.00 0.35 0.00 0.00 39.48 37.60 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 8.14 2.43 -0.03 3.13 0.00 -0.52 -4.61 121.76 130.30 1jkn s ALA 30 Ca 1.07 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1jkn s ALA 30 Cb -0.67 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1jkn s ALA 30 CO 0.43 0.47 -0.22 0.00 0.00 0.00 0.00 175.76 176.44 1jkn s ALA 31 N -0.39 1.85 0.54 0.00 0.00 0.17 0.59 121.76 124.53 1jkn s ALA 31 Ca 0.04 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 1jkn s ALA 31 Cb -0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1jkn s ALA 31 CO 0.02 0.41 0.93 -1.54 0.00 0.00 0.00 175.76 175.58 1jkn s SER 32 N -0.33 6.35 0.67 0.00 1.04 0.28 0.01 113.70 121.72 1jkn s SER 32 Ca 0.03 1.29 -0.12 0.00 0.48 0.00 0.00 55.95 57.64 1jkn s SER 32 Cb -0.10 -2.40 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO 0.01 -0.68 1.06 -0.13 0.98 0.00 0.00 173.24 174.47 1jkn s ARG 33 N -4.68 3.07 0.00 4.02 0.52 0.41 -2.37 118.95 119.91 1jkn s ARG 33 Ca 0.53 0.97 0.25 0.00 -0.52 0.00 0.00 55.73 56.96 1jkn s ARG 33 Cb -0.11 -2.01 0.41 0.00 0.52 0.00 0.00 34.95 33.77 1jkn s ARG 33 CO 0.44 -1.00 1.35 1.28 0.02 0.00 0.00 175.30 177.39 1jkn n LEU 34 N -2.91 1.33 0.00 2.53 4.77 -1.02 -4.04 117.00 117.65 1jkn n LEU 34 Ca 0.08 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1jkn n LEU 34 Cb 0.53 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1jkn n LEU 34 CO 0.54 0.25 -0.18 0.47 -1.33 0.00 0.00 177.39 177.14 1jkn n ASP 35 N -0.56 1.85 -4.07 -1.43 8.00 -1.26 -4.97 116.55 114.11 1jkn n ASP 35 Ca 0.10 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1jkn n ASP 35 Cb 0.39 0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 41.87 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jkn s ILE 36 N -0.90 2.14 0.18 0.53 1.01 -1.26 -5.10 121.20 117.80 1jkn s ILE 36 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.78 1jkn s ILE 36 Cb 0.00 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1jkn s ILE 36 CO 0.00 0.02 1.52 -2.16 0.00 0.00 0.00 174.94 174.32 1jkn s PRO 37 N 1.13 4.24 0.00 2.79 0.04 -1.26 -1.86 135.00 140.08 1jkn s PRO 37 Ca -0.08 2.32 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 -0.54 0.00 -3.47 0.04 0.00 0.00 177.00 172.97 1jkn n ASP 38 N 3.53 -1.75 -4.43 6.66 -0.08 -1.26 -4.97 116.55 114.25 1jkn n ASP 38 Ca 0.12 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.96 1jkn n ASP 38 Cb 0.39 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.22 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 -2.72 3.28 0.18 -1.67 0.00 -0.78 -4.98 121.76 115.08 1jkn s ALA 39 Ca 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 51.96 49.81 1jkn s ALA 39 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1jkn s ALA 39 CO 0.00 -2.68 0.20 -1.58 0.00 0.00 0.00 175.76 171.70 1jkn s TRP 40 N 3.26 3.26 0.12 0.00 0.52 -1.26 0.15 118.94 124.99 1jkn s TRP 40 Ca 0.21 0.00 -0.15 0.00 0.02 0.00 0.00 56.10 56.18 1jkn s TRP 40 Cb -0.16 -1.54 0.05 0.00 -1.15 0.00 0.00 33.47 30.67 1jkn s TRP 40 CO 0.04 0.51 0.71 0.00 0.02 0.00 0.00 176.95 178.24 1jkn n GLN 41 N -0.62 0.44 -4.15 4.98 10.64 0.10 -4.34 117.38 124.43 1jkn n GLN 41 Ca -0.08 -1.00 -0.23 0.00 -1.83 0.00 0.00 57.00 53.86 1jkn n GLN 41 Cb 0.55 1.36 -0.05 0.00 -0.86 0.00 0.00 30.24 31.24 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 2.79 0.14 2.61 -1.94 -1.26 0.45 119.30 120.06 1jkn s MET 42 Ca 0.16 -1.11 -0.31 0.00 -1.71 0.00 0.00 55.69 52.72 1jkn s MET 42 Cb -0.02 -2.49 -0.09 0.00 2.01 0.00 0.00 34.83 34.24 1jkn s MET 42 CO 0.04 0.40 1.46 -1.25 -0.01 0.00 0.00 175.02 175.66 1jkn s PRO 43 N -3.72 4.28 0.13 2.03 0.04 -1.26 -4.93 135.00 131.58 1jkn s PRO 43 Ca 0.32 2.19 -0.16 0.00 0.04 0.00 0.00 61.00 63.39 1jkn s PRO 43 Cb -0.08 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1jkn s PRO 43 CO 0.24 -0.50 0.42 1.14 0.04 0.00 0.00 177.00 178.34 1jkn s GLN 44 N 1.04 1.09 0.19 4.56 -2.07 -1.26 -0.85 119.66 122.37 1jkn s GLN 44 Ca 0.66 -0.70 -0.24 0.00 -1.82 0.00 0.00 55.36 53.26 1jkn s GLN 44 Cb -0.40 0.48 0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1jkn s GLN 44 CO 0.31 -0.43 0.86 0.20 -1.32 0.00 0.00 175.29 174.91 1jkn s GLY 45 N -2.80 -0.20 -0.02 2.60 0.00 -0.66 -4.98 107.32 101.25 1jkn s GLY 45 Ca 0.03 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.50 1jkn s GLY 45 CO -0.12 -0.01 0.81 -0.32 0.00 0.00 0.00 173.10 173.46 1jkn s GLY 46 N -2.91 2.76 0.93 0.20 0.00 -1.26 0.65 107.32 107.68 1jkn s GLY 46 Ca 0.11 0.31 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 1jkn s GLY 46 CO 0.03 1.34 1.14 -0.42 0.00 0.00 0.00 173.10 175.20 1jkn s ILE 47 N 0.70 2.01 0.27 0.90 1.01 -0.85 -4.85 121.20 120.39 1jkn s ILE 47 Ca 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 1jkn s ILE 47 Cb -0.19 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 1jkn s ILE 47 CO 0.23 -0.00 0.59 -1.81 0.00 0.00 0.00 174.94 173.94 1jkn s ASP 48 N -2.64 6.58 -0.66 3.58 1.11 -1.26 -4.90 116.67 118.48 1jkn s ASP 48 Ca 0.67 0.92 -0.26 0.00 0.18 0.00 0.00 52.55 54.06 1jkn s ASP 48 Cb -0.23 -2.23 -0.12 0.00 1.07 0.00 0.00 42.92 41.41 1jkn s ASP 48 CO 0.58 -0.15 2.46 -0.62 1.18 0.00 0.00 175.17 178.62 1jkn n GLU 49 N -0.49 0.72 -1.31 8.23 4.71 -1.26 -0.20 120.64 131.04 1jkn n GLU 49 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1jkn n GLU 49 Cb 0.53 -3.00 0.00 0.00 -1.01 0.00 0.00 31.44 27.96 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkn n GLY 50 N 6.20 1.01 3.43 0.62 0.00 -1.26 -5.09 105.19 110.11 1jkn n GLY 50 Ca 0.46 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.78 2.23 0.35 1.61 2.12 0.72 -5.12 118.70 117.84 1jkn s GLU 51 Ca 0.00 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.20 1jkn s GLU 51 Cb 0.00 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 32.08 1jkn s GLU 51 CO 0.00 0.58 1.10 -0.51 -0.54 0.00 0.00 175.26 175.89 1jkn s ASP 52 N -0.99 6.88 0.13 -1.70 1.11 -1.26 -4.68 116.67 116.16 1jkn s ASP 52 Ca 0.12 2.22 -0.24 0.00 0.18 0.00 0.00 52.55 54.84 1jkn s ASP 52 Cb -0.10 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 1jkn s ASP 52 CO 0.02 -0.41 1.65 -0.65 1.18 0.00 0.00 175.17 176.96 1jkn h PRO 53 N 3.04 -0.27 -0.07 8.23 0.11 -1.97 0.61 132.00 141.67 1jkn h PRO 53 Ca -0.48 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1jkn h PRO 53 Cb 1.22 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jkn h PRO 53 CO 0.64 -0.18 0.06 -0.09 -0.21 0.00 0.00 178.00 178.22 1jkn h ARG 54 N -0.28 0.00 0.03 1.05 9.65 -1.93 0.78 114.38 123.68 1jkn h ARG 54 Ca 0.09 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.82 1jkn h ARG 54 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1jkn h ARG 54 CO -0.25 0.00 -0.75 -0.91 2.80 0.00 0.00 179.97 180.86 1jkn h ASN 55 N 0.00 0.10 -0.33 -3.80 2.35 -1.62 -2.74 115.58 109.54 1jkn h ASN 55 Ca 0.04 -0.80 0.03 0.00 -0.55 0.00 0.00 56.30 55.01 1jkn h ASN 55 Cb 0.16 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1jkn h ASN 55 CO -0.00 1.31 0.22 0.00 -1.65 0.00 0.00 177.43 177.31 1jkn h ALA 56 N -0.17 1.90 0.14 -0.83 0.00 0.51 0.14 119.26 120.95 1jkn h ALA 56 Ca -0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jkn h ALA 56 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jkn h ALA 56 CO -0.05 0.05 -0.07 0.00 0.00 0.00 0.00 179.25 179.19 1jkn h ALA 57 N 1.81 -0.18 -0.27 0.00 0.00 -0.97 0.83 119.26 120.48 1jkn h ALA 57 Ca 0.14 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1jkn h ALA 57 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jkn h ALA 57 CO -0.03 -0.29 0.21 0.82 0.00 0.00 0.00 179.25 179.96 1jkn h ILE 58 N -0.81 0.80 0.00 0.00 2.04 -1.14 0.14 117.51 118.54 1jkn h ILE 58 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jkn h ILE 58 Cb 0.54 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1jkn h ILE 58 CO 0.03 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 177.92 1jkn h ARG 59 N 0.00 0.00 -0.74 2.37 2.43 -0.68 -3.28 114.38 114.48 1jkn h ARG 59 Ca 0.13 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.45 1jkn h ARG 59 Cb 0.54 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 1jkn h ARG 59 CO -0.00 0.66 0.23 0.93 -1.51 0.00 0.00 179.97 180.28 1jkn h GLU 60 N -1.00 0.33 0.28 0.20 4.39 0.13 -1.29 114.58 117.61 1jkn h GLU 60 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1jkn h GLU 60 Cb 0.73 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1jkn h GLU 60 CO -0.02 0.22 -0.34 1.25 -1.16 0.00 0.00 179.01 178.96 1jkn h LEU 61 N 0.34 -0.93 -0.62 1.33 5.85 -0.88 0.24 115.31 120.64 1jkn h LEU 61 Ca 0.42 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1jkn h LEU 61 Cb 0.68 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1jkn h LEU 61 CO -0.47 -0.46 0.00 -1.14 -0.34 0.00 0.00 178.44 176.03 1jkn n ARG 62 N -5.44 0.07 -0.02 1.25 0.63 -0.78 0.15 116.66 112.52 1jkn n ARG 62 Ca -0.09 0.53 -0.19 0.00 -0.92 0.00 0.00 57.85 57.19 1jkn n ARG 62 Cb 0.35 -1.71 -0.14 0.00 0.45 0.00 0.00 32.46 31.41 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 -1.85 0.73 -0.00 -0.14 1.02 0.32 -2.12 120.64 118.60 1jkn n GLU 63 Ca -0.00 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 1jkn n GLU 63 Cb 0.04 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.38 0.70 -0.00 3.49 -0.58 0.57 -3.41 120.64 118.02 1jkn n GLU 64 Ca -0.31 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1jkn n GLU 64 Cb 1.04 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 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 -3.28 0.02 -0.98 2.62 -2.24 0.12 -3.90 114.28 106.64 1jkn n THR 65 Ca -0.25 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1jkn n THR 65 Cb 1.05 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 2.60 0.41 3.55 3.38 0.00 -0.31 0.12 105.19 114.94 1jkn n GLY 66 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1jkn n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jkn n VAL 67 N -2.61 0.30 0.00 1.61 0.31 -1.25 -4.78 118.33 111.90 1jkn n VAL 67 Ca 0.00 -0.40 -0.17 0.00 -0.01 0.00 0.00 64.34 63.76 1jkn n VAL 67 Cb 0.12 -2.28 -0.14 0.00 -0.91 0.00 0.00 33.84 30.63 1jkn n VAL 67 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1jkn h THR 68 N 7.13 0.73 -1.99 2.52 1.35 -1.92 -3.39 112.91 117.34 1jkn h THR 68 Ca -0.37 -2.50 -0.75 0.00 -0.55 0.00 0.00 66.41 62.25 1jkn h THR 68 Cb 1.27 2.49 -0.18 0.00 -1.73 0.00 0.00 68.15 70.00 1jkn h THR 68 CO 0.98 0.75 1.53 -1.20 -0.25 0.00 0.00 175.52 177.33 1jkn n SER 69 N -3.33 5.23 -3.70 5.36 7.64 -1.26 -4.90 113.62 118.66 1jkn n SER 69 Ca -0.26 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.47 1jkn n SER 69 Cb 1.05 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 0.91 -0.84 0.09 -0.43 0.00 -1.26 0.11 121.76 120.34 1jkn s ALA 70 Ca 0.41 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1jkn s ALA 70 CO 0.00 -0.30 -0.25 -1.83 0.00 0.00 0.00 175.76 173.37 1jkn s GLU 71 N 1.52 1.62 -0.13 0.00 -1.05 -0.68 -4.88 118.70 115.09 1jkn s GLU 71 Ca -0.08 -1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 53.21 1jkn s GLU 71 Cb -0.10 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.62 1jkn s GLU 71 CO -0.11 0.48 1.09 0.08 0.95 0.00 0.00 175.26 177.75 1jkn s VAL 72 N -0.97 4.58 -0.05 1.83 1.01 -1.25 0.15 120.40 125.69 1jkn s VAL 72 Ca 0.14 1.88 0.15 0.00 0.00 0.00 0.00 61.98 64.15 1jkn s VAL 72 Cb -0.10 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 1jkn s VAL 72 CO 0.05 -0.05 0.35 -0.38 0.00 0.00 0.00 175.10 175.06 1jkn n ILE 73 N 4.83 0.00 -3.64 2.22 2.08 0.22 -4.89 119.36 120.18 1jkn n ILE 73 Ca 0.11 -0.34 -0.10 0.00 0.56 0.00 0.00 62.75 62.97 1jkn n ILE 73 Cb 0.47 0.19 -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 -3.03 -1.14 -0.19 -1.39 0.00 -1.15 -4.95 121.76 109.90 1jkn s ALA 74 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1jkn s ALA 74 Cb 0.10 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.15 1jkn s ALA 74 CO 0.63 -0.78 0.32 -2.00 0.00 0.00 0.00 175.76 173.93 1jkn s GLU 75 N -3.83 0.25 0.09 0.00 -6.30 -1.26 0.11 118.70 107.76 1jkn s GLU 75 Ca 0.06 0.62 -0.33 0.00 -2.50 0.00 0.00 54.97 52.82 1jkn s GLU 75 Cb -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 34.13 33.64 1jkn s GLU 75 CO -0.07 -0.47 1.78 0.28 0.02 0.00 0.00 175.26 176.80 1jkn n VAL 76 N 5.36 0.31 0.44 3.70 0.31 -0.73 -4.86 118.33 122.86 1jkn n VAL 76 Ca -0.06 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1jkn n VAL 76 Cb 0.50 -1.91 0.36 0.00 -0.91 0.00 0.00 33.84 31.88 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 5.23 0.07 -4.69 5.55 -0.04 -1.26 -4.68 135.00 135.18 1jkn n PRO 77 Ca 0.19 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.72 1jkn n PRO 77 Cb 0.33 -1.63 -0.16 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.52 0.57 0.54 -0.85 -1.26 -4.75 117.35 110.01 1jkn s TYR 78 Ca 0.06 -0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 55.92 1jkn s TYR 78 Cb 0.09 -1.06 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1jkn s TYR 78 CO 0.30 -0.20 1.34 0.91 -1.52 0.00 0.00 175.55 176.38 1jkn n TRP 79 N 3.39 2.22 -3.64 -3.49 7.02 -1.26 -4.53 117.44 117.16 1jkn n TRP 79 Ca -0.20 0.43 -0.38 0.00 -1.02 0.00 0.00 57.50 56.33 1jkn n TRP 79 Cb 0.53 -2.34 -0.11 0.00 -2.42 0.00 0.00 31.31 26.96 1jkn n TRP 79 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1jkn s LEU 80 N -3.64 4.01 -0.09 -0.99 2.01 0.32 0.91 118.68 121.21 1jkn s LEU 80 Ca 0.74 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 54.60 1jkn s LEU 80 Cb -0.41 -2.04 -0.02 0.00 0.01 0.00 0.00 46.19 43.73 1jkn s LEU 80 CO 0.47 -0.13 -0.13 0.42 1.01 0.00 0.00 176.35 177.99 1jkn s THR 81 N 1.67 3.09 0.28 5.49 -4.23 -1.26 -0.74 115.64 119.95 1jkn s THR 81 Ca 0.06 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1jkn s THR 81 Cb -0.16 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1jkn s THR 81 CO 0.08 0.55 0.09 -0.72 -0.54 0.00 0.00 174.62 174.08 1jkn s TYR 82 N -0.14 1.63 0.00 3.99 1.13 -1.25 -4.87 117.35 117.84 1jkn s TYR 82 Ca -0.01 -1.15 0.02 0.00 -1.41 0.00 0.00 57.07 54.53 1jkn s TYR 82 Cb -0.14 -0.98 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 1jkn s TYR 82 CO 0.03 -0.27 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.23 1jkn s ASP 83 N -3.36 0.73 0.24 -0.18 1.11 -1.26 -3.61 116.67 110.34 1jkn s ASP 83 Ca 0.37 -0.18 -0.08 0.00 0.18 0.00 0.00 52.55 52.85 1jkn s ASP 83 Cb 0.08 -0.06 -0.06 0.00 1.07 0.00 0.00 42.92 43.94 1jkn s ASP 83 CO 0.14 0.03 0.54 -0.36 1.18 0.00 0.00 175.17 176.70 1jkn s PHE 84 N -0.33 3.45 1.15 4.23 0.08 -1.24 -4.81 117.98 120.50 1jkn s PHE 84 Ca 0.00 0.78 -0.13 0.00 0.12 0.00 0.00 56.93 57.70 1jkn s PHE 84 Cb -0.03 -2.19 0.27 0.00 -0.57 0.00 0.00 43.02 40.50 1jkn s PHE 84 CO -0.00 0.25 1.04 -1.25 -0.10 0.00 0.00 175.22 175.16 1jkn s PRO 85 N -3.03 -0.83 0.43 0.24 0.04 -1.26 -4.41 135.00 126.18 1jkn s PRO 85 Ca 0.46 0.66 0.30 0.00 0.04 0.00 0.00 61.00 62.45 1jkn s PRO 85 Cb -0.11 -1.58 1.46 0.00 0.04 0.00 0.00 34.50 34.31 1jkn s PRO 85 CO 0.24 -3.62 1.90 -1.00 0.04 0.00 0.00 177.00 174.57 1jkn h PRO 86 N -2.54 0.00 0.04 0.56 0.13 -1.98 0.62 132.00 128.83 1jkn h PRO 86 Ca -0.60 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.20 1jkn h PRO 86 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.51 0.00 -1.98 1.17 -0.23 0.00 0.00 178.00 177.47 1jkn n LYS 87 N -2.60 0.68 -0.02 0.86 0.00 -1.26 -3.06 118.16 112.76 1jkn n LYS 87 Ca -0.01 0.23 -0.19 0.00 0.00 0.00 0.00 58.31 58.34 1jkn n LYS 87 Cb 0.14 -1.70 -0.13 0.00 0.00 0.00 0.00 35.03 33.34 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1jkn h VAL 88 N 0.02 1.37 -0.36 3.15 2.07 -1.78 -2.18 116.25 118.54 1jkn h VAL 88 Ca -0.40 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 64.73 1jkn h VAL 88 Cb 2.04 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 34.77 1jkn h VAL 88 CO 0.06 0.62 0.22 -0.09 0.02 0.00 0.00 177.57 178.40 1jkn h ARG 89 N -0.63 0.48 0.00 1.57 2.43 0.03 0.66 114.38 118.92 1jkn h ARG 89 Ca -0.18 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 1jkn h ARG 89 Cb 1.44 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1jkn h ARG 89 CO 0.03 0.35 -0.26 1.49 -1.51 0.00 0.00 179.97 180.07 1jkn h GLU 90 N 0.47 0.00 0.06 0.20 4.57 -1.68 -1.73 114.58 116.48 1jkn h GLU 90 Ca 0.13 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 1jkn h GLU 90 Cb -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1jkn h GLU 90 CO -0.03 0.26 -0.41 -0.22 -1.18 0.00 0.00 179.01 177.43 1jkn h LYS 91 N 0.00 0.17 -0.47 1.92 3.11 -0.60 -3.32 116.57 117.38 1jkn h LYS 91 Ca -0.00 -0.27 0.02 0.00 -2.81 0.00 0.00 60.65 57.59 1jkn h LYS 91 Cb 0.56 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.86 1jkn h LYS 91 CO 0.03 1.10 0.29 -0.07 -2.81 0.00 0.00 179.45 177.99 1jkn h LEU 92 N -0.62 0.48 -1.76 5.20 3.38 0.39 0.58 115.31 122.96 1jkn h LEU 92 Ca -0.07 -0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.28 1jkn h LEU 92 Cb 1.29 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1jkn h LEU 92 CO 0.08 0.34 0.90 0.78 0.09 0.00 0.00 178.44 180.64 1jkn h ASN 93 N 0.58 0.14 0.00 -0.43 -0.26 -1.41 1.69 115.58 115.89 1jkn h ASN 93 Ca 0.18 0.04 -0.39 0.00 -0.56 0.00 0.00 56.30 55.58 1jkn h ASN 93 Cb -0.02 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.21 1jkn h ASN 93 CO -0.07 -0.01 -2.13 -0.38 -1.06 0.00 0.00 177.43 173.78 1jkn n ILE 94 N -4.33 1.54 0.22 2.81 5.41 -0.55 -2.72 119.36 121.74 1jkn n ILE 94 Ca 0.30 -0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 1jkn n ILE 94 Cb 1.32 -1.91 -0.08 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 -0.93 -0.55 0.07 0.38 1.08 0.97 -3.29 115.11 112.84 1jkn h GLN 95 Ca -0.58 0.04 -0.25 0.00 -1.45 0.00 0.00 58.65 56.41 1jkn h GLN 95 Cb 1.54 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 1jkn h GLN 95 CO -0.33 -0.24 -1.11 -1.49 -0.95 0.00 0.00 178.83 174.71 1jkn h TRP 96 N -0.89 0.48 -0.61 2.96 4.06 0.21 -3.48 115.95 118.68 1jkn h TRP 96 Ca -0.06 -0.31 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1jkn h TRP 96 Cb 0.56 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.01 1.20 0.00 0.41 -3.56 0.00 0.00 178.44 176.50 1jkn n GLY 97 N 1.28 0.75 3.24 1.49 0.00 0.10 -4.98 105.19 107.07 1jkn n GLY 97 Ca -0.07 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.98 2.27 -0.51 1.61 0.01 -1.23 -4.98 113.70 107.87 1jkn s SER 98 Ca 0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1jkn s SER 98 Cb 0.00 -0.15 0.44 0.00 0.21 0.00 0.00 66.02 66.52 1jkn s SER 98 CO 0.00 0.07 1.60 -0.90 0.41 0.00 0.00 173.24 174.42 1jkn n ASP 99 N 1.51 6.25 -4.90 2.44 5.75 -1.26 -3.81 116.55 122.53 1jkn n ASP 99 Ca -0.19 -3.77 -0.31 0.00 -0.01 0.00 0.00 54.79 50.51 1jkn n ASP 99 Cb 0.54 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 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 -3.73 3.49 -0.11 2.11 0.52 -1.26 -5.00 118.94 114.95 1jkn s TRP 100 Ca 0.56 0.47 0.14 0.00 0.02 0.00 0.00 56.10 57.29 1jkn s TRP 100 Cb 0.45 -1.94 0.05 0.00 -1.15 0.00 0.00 33.47 30.88 1jkn s TRP 100 CO -0.06 0.47 1.43 0.87 0.02 0.00 0.00 176.95 179.69 1jkn h LYS 101 N 2.85 0.00 0.00 4.98 6.56 -1.82 -3.49 116.57 125.64 1jkn h LYS 101 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jkn h LYS 101 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1jkn h LYS 101 CO 0.73 0.56 0.00 0.41 -2.06 0.00 0.00 179.45 179.09 1jkn n GLY 102 N 1.21 1.44 3.39 3.86 0.00 -1.24 -3.73 105.19 110.12 1jkn n GLY 102 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 4.82 0.51 -0.55 1.61 -0.21 -1.24 -2.37 119.66 122.23 1jkn s GLN 103 Ca 0.00 1.19 -0.24 0.00 0.02 0.00 0.00 55.36 56.33 1jkn s GLN 103 Cb 0.00 0.58 0.04 0.00 1.00 0.00 0.00 33.01 34.63 1jkn s GLN 103 CO 0.00 -0.35 0.94 0.00 -2.12 0.00 0.00 175.29 173.76 1jkn s ALA 104 N 2.80 3.16 0.04 6.09 0.00 -0.72 -3.90 121.76 129.24 1jkn s ALA 104 Ca 0.03 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1jkn s ALA 104 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1jkn s ALA 104 CO -0.18 -2.38 -0.20 1.14 0.00 0.00 0.00 175.76 174.14 1jkn s GLN 105 N 3.93 1.36 -0.40 0.00 -2.07 0.08 -3.34 119.66 119.22 1jkn s GLN 105 Ca 0.30 -0.94 -0.14 0.00 -1.82 0.00 0.00 55.36 52.76 1jkn s GLN 105 Cb -0.13 -1.47 0.02 0.00 -1.09 0.00 0.00 33.01 30.34 1jkn s GLN 105 CO 0.19 0.37 0.28 0.15 -1.32 0.00 0.00 175.29 174.97 1jkn s LYS 106 N -1.19 3.00 0.37 9.60 -0.14 -1.21 0.12 119.74 130.29 1jkn s LYS 106 Ca 0.07 -1.00 -0.25 0.00 -1.36 0.00 0.00 55.97 53.44 1jkn s LYS 106 Cb -0.09 -3.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.04 1jkn s LYS 106 CO 0.02 -0.72 1.03 -1.58 -0.76 0.00 0.00 175.35 173.34 1jkn s TRP 107 N 1.67 3.38 -0.05 3.18 0.52 -1.26 -3.06 118.94 123.31 1jkn s TRP 107 Ca 0.05 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.88 1jkn s TRP 107 Cb -0.19 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 1jkn s TRP 107 CO 0.10 -0.44 -0.15 -0.06 0.02 0.00 0.00 176.95 176.42 1jkn s PHE 108 N -1.62 1.59 0.08 -1.98 0.40 -0.49 -1.77 117.98 114.19 1jkn s PHE 108 Ca 0.55 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 1jkn s PHE 108 Cb -0.22 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1jkn s PHE 108 CO 0.28 -0.22 0.99 -1.17 0.70 0.00 0.00 175.22 175.79 1jkn s LEU 109 N 0.33 4.45 -0.09 -0.37 2.96 0.31 0.15 118.68 126.43 1jkn s LEU 109 Ca -0.09 1.77 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1jkn s LEU 109 Cb -0.13 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1jkn s LEU 109 CO 0.03 -0.16 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.40 1jkn s PHE 110 N 0.37 1.77 -0.23 5.38 0.40 0.46 0.69 117.98 126.82 1jkn s PHE 110 Ca 0.49 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 1jkn s PHE 110 Cb -0.23 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1jkn s PHE 110 CO 0.29 -0.37 0.52 0.21 0.70 0.00 0.00 175.22 176.57 1jkn s LYS 111 N 0.78 4.13 -0.01 0.44 2.20 0.40 -0.68 119.74 127.01 1jkn s LYS 111 Ca -0.12 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 1jkn s LYS 111 Cb -0.16 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 1jkn s LYS 111 CO 0.02 -0.24 1.56 0.12 -0.36 0.00 0.00 175.35 176.45 1jkn s PHE 112 N 1.94 2.42 -0.25 4.03 5.36 -0.71 -1.69 117.98 129.07 1jkn s PHE 112 Ca 0.23 0.46 0.10 0.00 -0.96 0.00 0.00 56.93 56.76 1jkn s PHE 112 Cb -0.15 -3.83 0.45 0.00 -0.34 0.00 0.00 43.02 39.15 1jkn s PHE 112 CO 0.09 -3.32 1.19 0.25 -1.46 0.00 0.00 175.22 171.97 1jkn n THR 113 N 5.00 2.22 -0.90 0.12 -2.24 0.29 -4.73 114.28 114.04 1jkn n THR 113 Ca 0.15 -3.71 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 1jkn n THR 113 Cb 0.42 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.75 5.55 3.27 3.38 0.00 -1.20 -4.77 105.19 110.67 1jkn n GLY 114 Ca 0.32 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1jkn n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 115 N 3.65 1.09 0.50 1.61 -0.21 -1.26 -5.00 119.66 120.04 1jkn s GLN 115 Ca 0.00 -1.27 0.15 0.00 0.02 0.00 0.00 55.36 54.26 1jkn s GLN 115 Cb 0.00 -1.04 0.82 0.00 1.00 0.00 0.00 33.01 33.79 1jkn s GLN 115 CO 0.00 0.21 1.39 -0.44 -2.12 0.00 0.00 175.29 174.33 1jkn h ASP 116 N 3.51 0.00 1.41 5.90 3.32 -2.02 0.84 116.42 129.37 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 0.50 0.00 0.00 -0.61 -1.72 0.00 0.00 179.24 177.41 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 5.75 -2.05 -2.95 115.11 119.42 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1jkn h GLN 117 Cb 0.96 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1jkn h GLN 117 CO 0.00 0.00 -0.48 1.49 -2.65 0.00 0.00 178.83 177.19 1jkn h GLU 118 N 0.00 0.00 -6.18 1.69 4.57 0.32 -3.43 114.58 111.55 1jkn h GLU 118 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1jkn h GLU 118 Cb 0.70 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 1jkn h GLU 118 CO 0.00 0.48 1.27 0.42 -1.18 0.00 0.00 179.01 180.01 1jkn s ILE 119 N -3.18 3.49 -0.40 2.32 1.01 -1.12 -3.94 121.20 119.39 1jkn s ILE 119 Ca 0.02 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1jkn s ILE 119 Cb 0.09 -3.89 0.11 0.00 0.01 0.00 0.00 42.46 38.78 1jkn s ILE 119 CO 0.73 -0.72 0.14 0.21 0.00 0.00 0.00 174.94 175.30 1jkn s ASN 120 N 6.59 4.38 0.65 3.58 2.47 0.33 -4.96 114.94 127.98 1jkn s ASN 120 Ca 0.70 -2.38 0.34 0.00 0.42 0.00 0.00 52.86 51.95 1jkn s ASN 120 Cb -0.16 -1.44 1.87 0.00 -1.45 0.00 0.00 41.25 40.07 1jkn s ASN 120 CO 0.27 -0.33 2.08 -0.07 -3.72 0.00 0.00 177.10 175.33 1jkn h LEU 121 N 7.26 0.00 0.85 3.21 3.38 -1.74 -2.16 115.31 126.11 1jkn h LEU 121 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jkn h LEU 121 CO 0.55 0.00 -0.41 -0.07 0.09 0.00 0.00 178.44 178.60 1jkn h LEU 122 N 0.00 -0.97 0.00 1.67 -0.00 -1.83 -3.29 115.31 110.88 1jkn h LEU 122 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1jkn h LEU 122 Cb 0.47 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1jkn h LEU 122 CO -0.00 -0.62 0.00 0.61 -0.00 0.00 0.00 178.44 178.43 1jkn n GLY 123 N -1.16 0.99 2.05 0.83 0.00 -0.81 -3.28 105.19 103.81 1jkn n GLY 123 Ca -0.14 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 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 2.94 6.59 -1.95 1.61 5.68 -0.90 -4.64 116.55 125.88 1jkn n ASP 124 Ca 0.00 -3.34 -0.18 0.00 -0.50 0.00 0.00 54.79 50.77 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 -0.24 0.05 0.18 6.12 0.00 -1.26 -4.90 105.19 105.14 1jkn n GLY 125 Ca 0.44 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.39 1.42 -4.48 1.61 7.64 -1.26 -5.07 113.62 112.08 1jkn n SER 126 Ca -0.21 0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.67 1jkn n SER 126 Cb 0.65 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1jkn s GLU 127 N -2.39 1.68 0.53 1.43 -1.05 -1.26 -5.12 118.70 112.52 1jkn s GLU 127 Ca -0.20 -1.86 -0.22 0.00 -0.15 0.00 0.00 54.97 52.54 1jkn s GLU 127 Cb 0.03 -1.38 -0.06 0.00 -0.44 0.00 0.00 34.13 32.27 1jkn s GLU 127 CO 0.29 0.07 1.25 1.63 0.95 0.00 0.00 175.26 179.45 1jkn n LYS 128 N -0.69 1.57 -0.30 -4.83 5.02 -1.26 -4.71 118.16 112.96 1jkn n LYS 128 Ca -0.05 0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1jkn n LYS 128 Cb 0.64 -2.44 0.12 0.00 -0.02 0.00 0.00 35.03 33.33 1jkn n LYS 128 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1jkn n PRO 129 N -0.76 -1.53 0.00 1.97 -0.02 -1.21 -4.95 135.00 128.50 1jkn n PRO 129 Ca 0.10 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1jkn n PRO 129 Cb 0.44 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.88 0.00 -4.12 -0.52 -0.58 -1.24 -5.04 120.64 107.26 1jkn n GLU 130 Ca 0.06 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.57 1jkn n GLU 130 Cb 0.24 -0.20 -0.05 0.00 -0.57 0.00 0.00 31.44 30.87 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1jkn s PHE 131 N -1.20 3.09 -0.01 -0.32 0.08 -1.26 -2.44 117.98 115.92 1jkn s PHE 131 Ca 0.00 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1jkn s PHE 131 Cb 0.00 -1.40 -0.06 0.00 -0.57 0.00 0.00 43.02 40.99 1jkn s PHE 131 CO 0.00 0.53 0.09 0.41 -0.10 0.00 0.00 175.22 176.14 1jkn n GLY 132 N -1.06 -0.15 3.60 4.36 0.00 -1.00 -4.67 105.19 106.28 1jkn n GLY 132 Ca -0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.24 1.76 0.16 1.61 8.01 -1.26 -5.00 118.70 121.75 1jkn s GLU 133 Ca -0.01 -1.42 -0.23 0.00 0.01 0.00 0.00 54.97 53.32 1jkn s GLU 133 Cb 0.02 0.49 0.07 0.00 -4.31 0.00 0.00 34.13 30.40 1jkn s GLU 133 CO 0.16 -0.75 0.61 1.67 0.01 0.00 0.00 175.26 176.96 1jkn s TRP 134 N -3.49 -0.52 0.16 1.61 1.48 -1.26 0.99 118.94 117.91 1jkn s TRP 134 Ca 0.23 0.31 -0.21 0.00 -1.06 0.00 0.00 56.10 55.37 1jkn s TRP 134 Cb -0.01 0.56 0.06 0.00 -1.16 0.00 0.00 33.47 32.92 1jkn s TRP 134 CO 0.13 -0.85 0.57 -1.12 -4.06 0.00 0.00 176.95 171.61 1jkn s SER 135 N -2.75 -0.48 -0.20 -2.66 0.01 0.20 -4.94 113.70 102.88 1jkn s SER 135 Ca 0.01 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 1jkn s SER 135 Cb -0.01 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 1jkn s SER 135 CO -0.12 -0.97 0.45 0.26 0.41 0.00 0.00 173.24 173.27 1jkn s TRP 136 N -3.77 3.37 0.04 2.43 0.52 -1.26 -1.44 118.94 118.82 1jkn s TRP 136 Ca 0.02 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1jkn s TRP 136 Cb -0.01 -2.60 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 1jkn s TRP 136 CO -0.11 -0.06 -0.06 0.14 0.02 0.00 0.00 176.95 176.88 1jkn s VAL 137 N 1.48 0.42 0.82 4.03 -7.23 -1.16 -4.87 120.40 113.89 1jkn s VAL 137 Ca 0.21 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 1jkn s VAL 137 Cb -0.15 -0.63 0.08 0.00 0.56 0.00 0.00 36.38 36.25 1jkn s VAL 137 CO 0.09 -0.48 1.10 0.42 -0.31 0.00 0.00 175.10 175.92 1jkn s THR 138 N -1.68 3.04 0.13 5.32 -4.23 -1.26 0.97 115.64 117.94 1jkn s THR 138 Ca -0.09 0.34 0.29 0.00 -1.18 0.00 0.00 61.69 61.05 1jkn s THR 138 Cb -0.08 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.27 1jkn s THR 138 CO -0.01 -0.44 1.89 1.55 -0.54 0.00 0.00 174.62 177.08 1jkn h PRO 139 N -1.32 0.00 0.04 3.99 0.13 -1.95 0.91 132.00 133.81 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 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1jkn h PRO 139 CO 0.51 0.00 -1.94 0.39 -0.23 0.00 0.00 178.00 176.74 1jkn n GLU 140 N -2.55 0.68 0.01 0.86 4.71 -1.26 -3.55 120.64 119.55 1jkn n GLU 140 Ca -0.02 0.24 -0.12 0.00 -0.01 0.00 0.00 57.16 57.25 1jkn n GLU 140 Cb 0.07 -1.72 -0.10 0.00 -1.01 0.00 0.00 31.44 28.69 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1jkn h GLN 141 N 0.02 -0.08 -0.62 3.49 1.08 -1.34 -2.78 115.11 114.88 1jkn h GLN 141 Ca -0.38 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 56.98 1jkn h GLN 141 Cb 2.04 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.46 1jkn h GLN 141 CO 0.07 0.46 0.43 1.25 -0.95 0.00 0.00 178.83 180.09 1jkn h LEU 142 N -0.68 0.13 -1.33 1.46 5.85 -1.11 0.99 115.31 120.61 1jkn h LEU 142 Ca -0.01 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 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 0.07 -0.31 0.40 -0.34 0.00 0.00 178.44 178.27 1jkn h ILE 143 N 0.14 0.99 0.00 4.05 1.08 -1.58 0.11 117.51 122.30 1jkn h ILE 143 Ca 0.30 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1jkn h ILE 143 Cb 0.99 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1jkn h ILE 143 CO -0.04 0.30 -0.27 0.47 -0.69 0.00 0.00 178.15 177.92 1jkn n ASP 144 N -3.84 0.75 -0.01 1.72 9.92 0.33 -3.67 116.55 121.75 1jkn n ASP 144 Ca -0.01 0.37 -0.19 0.00 -0.53 0.00 0.00 54.79 54.43 1jkn n ASP 144 Cb 0.39 -0.37 -0.14 0.00 -0.64 0.00 0.00 41.12 40.36 1jkn n ASP 144 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1jkn n LEU 145 N -2.18 2.36 -4.52 0.64 4.77 -0.60 -4.95 117.00 112.52 1jkn n LEU 145 Ca 0.05 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 1jkn n LEU 145 Cb 0.43 -0.88 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 1jkn n LEU 145 CO 0.33 0.79 0.27 0.41 -1.33 0.00 0.00 177.39 177.86 1jkn n THR 146 N -3.39 0.00 -2.62 -5.08 -1.04 0.29 -4.37 114.28 98.07 1jkn n THR 146 Ca -0.31 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.29 1jkn n THR 146 Cb 1.05 -0.83 0.01 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 -2.49 4.35 0.42 12.58 0.11 -1.26 -4.86 120.40 129.24 1jkn s VAL 147 Ca 0.62 0.01 0.12 0.00 -2.93 0.00 0.00 61.98 59.80 1jkn s VAL 147 Cb -0.22 -3.67 0.19 0.00 -1.53 0.00 0.00 36.38 31.15 1jkn s VAL 147 CO 0.63 -0.63 1.98 -0.33 -3.33 0.00 0.00 175.10 173.41 1jkn h GLU 148 N 0.12 0.15 -0.02 1.54 3.07 -1.96 0.28 114.58 117.76 1jkn h GLU 148 Ca -0.46 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1jkn h GLU 148 Cb 1.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1jkn h GLU 148 CO 0.61 0.27 0.00 1.97 -1.40 0.00 0.00 179.01 180.45 1jkn n PHE 149 N -4.33 0.03 -1.74 4.33 1.16 -1.26 -3.60 117.46 112.04 1jkn n PHE 149 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1jkn n PHE 149 Cb 0.23 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 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 -0.62 0.00 0.39 3.97 5.02 -0.72 -4.09 118.16 122.11 1jkn n LYS 150 Ca 0.18 -0.57 -0.16 0.00 -2.02 0.00 0.00 58.31 55.73 1jkn n LYS 150 Cb 0.14 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.72 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 -1.00 -0.68 1.97 1.57 -0.54 -2.94 116.57 114.94 1jkn h LYS 151 Ca 0.00 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1jkn h LYS 151 Cb 1.18 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1jkn h LYS 151 CO 0.00 -0.67 0.37 -1.00 -0.57 0.00 0.00 179.45 177.59 1jkn h PRO 152 N -1.04 0.95 -1.08 3.15 0.13 -1.87 -1.57 132.00 130.68 1jkn h PRO 152 Ca -0.10 -0.11 0.31 0.00 -0.87 0.00 0.00 66.00 65.23 1jkn h PRO 152 Cb 0.82 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.72 1jkn h PRO 152 CO 0.13 0.71 0.82 0.28 -0.23 0.00 0.00 178.00 179.72 1jkn h VAL 153 N 0.94 0.38 0.00 1.56 2.07 -1.73 0.66 116.25 120.13 1jkn h VAL 153 Ca 0.24 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.63 1jkn h VAL 153 Cb 0.04 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1jkn h VAL 153 CO -0.04 0.00 -1.00 -1.22 0.02 0.00 0.00 177.57 175.33 1jkn n TYR 154 N -4.07 0.86 -0.33 1.57 4.02 -0.92 -3.75 117.16 114.54 1jkn n TYR 154 Ca 0.23 0.37 0.23 0.00 -0.01 0.00 0.00 57.90 58.72 1jkn n TYR 154 Cb 1.18 -0.92 0.51 0.00 -0.02 0.00 0.00 39.34 40.10 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 0.37 -0.31 -0.72 3.64 -0.38 0.63 116.57 118.80 1jkn h LYS 155 Ca -0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1jkn h LYS 155 Cb 0.96 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1jkn h LYS 155 CO -0.12 0.25 0.19 1.49 -2.27 0.00 0.00 179.45 178.99 1jkn h GLU 156 N 0.38 0.42 -0.41 1.90 4.57 0.13 0.83 114.58 122.41 1jkn h GLU 156 Ca 0.61 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.75 1jkn h GLU 156 Cb 1.56 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.04 1jkn h GLU 156 CO -0.31 0.32 0.24 0.28 -1.18 0.00 0.00 179.01 178.35 1jkn h VAL 157 N 0.41 1.14 -0.07 0.32 2.07 0.08 -1.23 116.25 118.98 1jkn h VAL 157 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jkn h VAL 157 Cb 0.00 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jkn h VAL 157 CO -0.02 0.15 0.02 -0.07 0.02 0.00 0.00 177.57 177.67 1jkn h LEU 158 N 0.54 0.11 -0.81 2.57 3.38 -0.63 -1.27 115.31 119.20 1jkn h LEU 158 Ca 0.15 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1jkn h LEU 158 Cb 0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1jkn h LEU 158 CO -0.03 0.29 0.34 -1.28 0.09 0.00 0.00 178.44 177.85 1jkn h SER 159 N -0.08 0.32 0.87 -0.43 0.87 0.91 1.61 113.55 117.62 1jkn h SER 159 Ca 0.02 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1jkn h SER 159 Cb 0.22 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1jkn h SER 159 CO -0.00 0.09 -0.30 0.58 -0.53 0.00 0.00 176.83 176.67 1jkn h VAL 160 N 0.46 0.74 -0.57 2.23 2.07 -1.03 -2.83 116.25 117.32 1jkn h VAL 160 Ca 0.46 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jkn h VAL 160 Cb 0.74 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1jkn h VAL 160 CO -0.43 0.30 0.00 0.49 0.02 0.00 0.00 177.57 177.95 1jkn n PHE 161 N -3.48 0.76 0.07 1.57 3.72 0.19 -4.61 117.46 115.68 1jkn n PHE 161 Ca -0.00 -0.44 -0.13 0.00 -0.05 0.00 0.00 57.45 56.84 1jkn n PHE 161 Cb 0.47 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 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 3.85 -0.55 -0.09 4.37 0.00 0.23 0.19 119.26 127.26 1jkn h ALA 162 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jkn h ALA 162 Cb 0.93 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jkn h ALA 162 CO 0.00 -0.88 0.17 -1.00 0.00 0.00 0.00 179.25 177.54 1jkn h PRO 163 N -0.52 0.00 0.00 0.00 0.13 -1.82 0.14 132.00 129.93 1jkn h PRO 163 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1jkn h PRO 163 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1jkn h PRO 163 CO -0.27 0.00 -1.13 0.72 -0.23 0.00 0.00 178.00 177.09 1jkn n HIS 164 N -3.40 0.85 0.73 1.56 8.25 -0.29 -5.23 115.22 117.69 1jkn n HIS 164 Ca -0.01 0.25 0.09 0.00 -0.26 0.00 0.00 57.72 57.79 1jkn n HIS 164 Cb 0.26 -0.90 0.07 0.00 1.12 0.00 0.00 29.99 30.55 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26